core.init: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: rosetta.source.release-280 r280 2021.16+release.8ee4f02 8ee4f02ac5768a8a339ffada74cb0ff5f778b3e6 https://www.rosettacommons.org 2021-04-20T20:57:38.289184 core.init: command: /usr/local/rosetta_src_2021.16.61629_bundle/main/source/bin/mr_protocols.python.linuxgccrelease @rebuild.flags basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=-289824111 seed_offset=0 real_seed=-289824111 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-289824111 RG_type=mt19937 rosetta_MR: The flag -MR::mode is no longer used. Ignoring. basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.HS.resmooth basic.io.database: Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.SS.resmooth basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/rama/shapovalov/kappa25/all.ramaProb basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt basic.io.database: Database file opened: scoring/score_functions/centroid_smooth/cen_smooth_params.txt core.energy_methods.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 80 , 10 , 80 basic.io.database: Database file opened: scoring/score_functions/bondlength_bondangle/default-lengths.txt core.energy_methods.CartesianBondedEnergy: Read 759 bb-independent lengths. basic.io.database: Database file opened: scoring/score_functions/bondlength_bondangle/default-angles.txt core.energy_methods.CartesianBondedEnergy: Read 1434 bb-independent angles. basic.io.database: Database file opened: scoring/score_functions/bondlength_bondangle/default-torsions.txt core.energy_methods.CartesianBondedEnergy: Read 1 bb-independent torsions. basic.io.database: Database file opened: scoring/score_functions/bondlength_bondangle/default-improper.txt core.energy_methods.CartesianBondedEnergy: Read 529 bb-independent improper tors. core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 984 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0.42 seconds. basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop core.scoring.electron_density.ElectronDensity: Loading Density Map core.scoring.electron_density.ElectronDensity: Loading density map/home/crystallography/Documents/AbPmrAC/2403/MR_ROSETTA_16/GROUP_OF_PLACE_MODEL_1/RUN_1/AutoBuild_run_5_/overall_best_denmod_map_coeffs_nf.map core.scoring.electron_density.ElectronDensity: Setting resolution to 3A core.scoring.electron_density.ElectronDensity: atom mask to 3.2A core.scoring.electron_density.ElectronDensity: CA mask to 6A core.scoring.electron_density.ElectronDensity: Read density map'/home/crystallography/Documents/AbPmrAC/2403/MR_ROSETTA_16/GROUP_OF_PLACE_MODEL_1/RUN_1/AutoBuild_run_5_/overall_best_denmod_map_coeffs_nf.map' core.scoring.electron_density.ElectronDensity: extent: 60 x 90 x 180 core.scoring.electron_density.ElectronDensity: origin: 1 x 1 x 1 core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0 core.scoring.electron_density.ElectronDensity: grid: 60 x 90 x 180 core.scoring.electron_density.ElectronDensity: celldim: 50.507 x 74.174 x 166.494 core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90 core.scoring.electron_density.ElectronDensity: Symmetry records found: core.scoring.electron_density.ElectronDensity: X, Y, Z core.scoring.electron_density.ElectronDensity: X+1/2, -Y+1/2, -Z core.scoring.electron_density.ElectronDensity: -X, Y+1/2, -Z+1/2 core.scoring.electron_density.ElectronDensity: -X+1/2, -Y, Z+1/2 core.scoring.electron_density.ElectronDensity: voxel vol.: 0.641705 core.scoring.electron_density.ElectronDensity: Resizing 60x90x180 to 34x50x110 core.scoring.electron_density.ElectronDensity: new extent: 34 x 50 x 110 core.scoring.electron_density.ElectronDensity: new origin: 0.566667 x 0.555556 x 0.611111 core.scoring.electron_density.ElectronDensity: new grid: 34 x 50 x 110 core.scoring.electron_density.ElectronDensity: Effective resolution = 3.02716 core.import_pose.import_pose: File '/home/crystallography/Documents/AbPmrAC/2403/MR_ROSETTA_16/GROUP_OF_PLACE_MODEL_1/RUN_1/AutoMR_run_1_/2GWR_mr.5_one.pdb' automatically determined to be of type PDB core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLN:NtermProteinFull 1 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLN:NtermProteinFull 1 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue GLN:NtermProteinFull 1 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue LEU 2 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue LEU 2 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 4 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 4 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 4 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue LEU 8 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue LEU 8 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG2 on residue VAL 9 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue LEU 10 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue LEU 10 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASN 11 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND2 on residue ASN 11 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 13 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 13 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 13 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue GLN 14 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLN 14 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLN 14 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue GLN 14 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG2 on residue ILE 16 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue ILE 16 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue PHE 19 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue PHE 19 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue PHE 19 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE2 on residue PHE 19 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue PHE 19 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 20 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 20 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 20 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLN 22 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLN 22 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue GLN 22 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 23 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 23 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 23 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 23 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 23 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASP 25 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD2 on residue ASP 25 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASN 28 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND2 on residue ASN 28 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 29 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 29 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 29 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 29 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 29 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE1 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE2 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE3 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ2 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ3 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: CH2 on residue TRP 31 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG2 on residue ILE 33 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue ILE 33 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue ILE 35 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue PRO 36 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue PRO 36 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue MET 38 core.conformation.Conformation: [ WARNING ] missing heavyatom: SD on residue MET 38 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue MET 38 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG2 on residue THR 39 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND1 on residue HIS 40 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue HIS 40 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue HIS 40 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue HIS 40 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASN 42 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND2 on residue ASN 42 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 43 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 43 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 43 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue ILE 44 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 47 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 47 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 47 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASN 49 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND2 on residue ASN 49 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 51 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 51 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 51 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASP 52 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD2 on residue ASP 52 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue LYS 53 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE on residue LYS 53 core.conformation.Conformation: [ WARNING ] missing heavyatom: NZ on residue LYS 53 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue LEU 54 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue LEU 54 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue TYR 55 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue TYR 55 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue TYR 55 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE2 on residue TYR 55 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue TYR 55 core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue TYR 55 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue ASP 56 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASP 56 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD2 on residue ASP 56 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue PHE 57 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue PHE 57 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue PHE 57 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE2 on residue PHE 57 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue PHE 57 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASP 58 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD2 on residue ASP 58 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG1 on residue VAL 59 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG2 on residue VAL 59 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG2 on residue THR 60 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASN 62 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND2 on residue ASN 62 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG2 on residue THR 63 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue ILE 64 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLU 65 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLU 65 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE2 on residue GLU 65 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue TYR 67 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue TYR 67 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue TYR 67 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE2 on residue TYR 67 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue TYR 67 core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue TYR 67 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND1 on residue HIS 69 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue HIS 69 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue HIS 69 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue HIS 69 core.conformation.Conformation: [ WARNING ] missing heavyatom: ND1 on residue HIS 70 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue HIS 70 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue HIS 70 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue HIS 70 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue LEU 75 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue LEU 75 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD1 on residue ASP 78 core.conformation.Conformation: [ WARNING ] missing heavyatom: OD2 on residue ASP 78 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue PHE 79 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue PHE 79 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE1 on residue PHE 79 core.conformation.Conformation: [ WARNING ] missing heavyatom: CE2 on residue PHE 79 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue PHE 79 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue ILE 80 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 81 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 81 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 81 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 81 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 81 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue ILE 83 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue LEU 86 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue LEU 86 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue ARG 89 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE on residue ARG 89 core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue ARG 89 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH1 on residue ARG 89 core.conformation.Conformation: [ WARNING ] missing heavyatom: NH2 on residue ARG 89 core.conformation.Conformation: [ WARNING ] missing heavyatom: CG on residue LEU 90 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue LEU 90 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue LEU 90 core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue GLN:CtermProteinFull 92 core.conformation.Conformation: [ WARNING ] missing heavyatom: CD on residue GLN:CtermProteinFull 92 core.conformation.Conformation: [ WARNING ] missing heavyatom: OE1 on residue GLN:CtermProteinFull 92 core.conformation.Conformation: [ WARNING ] missing heavyatom: NE2 on residue GLN:CtermProteinFull 92 core.pack.pack_missing_sidechains: packing residue number 1 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 2 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 4 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 8 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 9 because of missing atom number 7 atom name CG2 core.pack.pack_missing_sidechains: packing residue number 10 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 11 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 13 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 14 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 16 because of missing atom number 7 atom name CG2 core.pack.pack_missing_sidechains: packing residue number 19 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 20 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 22 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 23 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 25 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 28 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 29 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 31 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 33 because of missing atom number 7 atom name CG2 core.pack.pack_missing_sidechains: packing residue number 35 because of missing atom number 8 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 36 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 38 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 39 because of missing atom number 7 atom name CG2 core.pack.pack_missing_sidechains: packing residue number 40 because of missing atom number 7 atom name ND1 core.pack.pack_missing_sidechains: packing residue number 42 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 43 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 44 because of missing atom number 8 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 47 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 49 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 51 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 52 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 53 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 54 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 55 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 56 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 57 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 58 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 59 because of missing atom number 6 atom name CG1 core.pack.pack_missing_sidechains: packing residue number 60 because of missing atom number 7 atom name CG2 core.pack.pack_missing_sidechains: packing residue number 62 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 63 because of missing atom number 7 atom name CG2 core.pack.pack_missing_sidechains: packing residue number 64 because of missing atom number 8 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 65 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 67 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 69 because of missing atom number 7 atom name ND1 core.pack.pack_missing_sidechains: packing residue number 70 because of missing atom number 7 atom name ND1 core.pack.pack_missing_sidechains: packing residue number 75 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 78 because of missing atom number 7 atom name OD1 core.pack.pack_missing_sidechains: packing residue number 79 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 80 because of missing atom number 8 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 81 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 83 because of missing atom number 8 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 86 because of missing atom number 7 atom name CD1 core.pack.pack_missing_sidechains: packing residue number 89 because of missing atom number 7 atom name CD core.pack.pack_missing_sidechains: packing residue number 90 because of missing atom number 6 atom name CG core.pack.pack_missing_sidechains: packing residue number 92 because of missing atom number 8 atom name CD core.pack.task: Packer task: initialize from command line() core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat core.scoring.elec.util: Read 40 countpair representative atoms core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true. core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated. core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /usr/local/rosetta_src_2021.16.61629_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/usr/local/rosetta_src_2021.16.61629_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'. core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0 seconds to load from binary core.pack.pack_rotamers: built 590 rotamers at 56 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... protocols.comparative_modeling.threading: [ WARNING ] skipping atom,position H ,7 because template doesn't have atom H . protocols.comparative_modeling.threading: [ WARNING ] skipping atom,position HE2,46 because template doesn't have atom HE2. protocols.comparative_modeling.threading: [ WARNING ] skipping atom,position HE2,77 because template doesn't have atom HE2. core.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 69 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0 seconds. core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 core.fragment.picking_old.vall.vall_io: Reading Vall library from /usr/local/rosetta_src_2021.16.61629_bundle/main/database//sampling/filtered.vall.dat.2006-05-05 ... core.fragment.picking_old.vall.vall_io: 100000 core.fragment.picking_old.vall.vall_io: 200000 core.fragment.picking_old.vall.vall_io: 300000 core.fragment.picking_old.vall.vall_io: 400000 core.fragment.picking_old.vall.vall_io: 500000 core.fragment.picking_old.vall.vall_io: 600000 core.fragment.picking_old.vall.vall_io: 700000 core.fragment.picking_old.vall.vall_io: 800000 core.fragment.picking_old.vall.vall_io: 900000 core.fragment.picking_old.vall.vall_io: 1000000 core.fragment.picking_old.vall.vall_io: 1100000 core.fragment.picking_old.vall.vall_io: 1200000 core.fragment.picking_old.vall.vall_io: 1300000 core.fragment.picking_old.vall.vall_io: 1400000 core.fragment.picking_old.vall.vall_io: ... done. Read 1400124 lines. Time elapsed: 18 seconds. core.fragment.picking_old.vall.vall_io: Prior library contained 0 sections totaling 0 residues. core.fragment.picking_old.vall.vall_io: Added 62471 sections to library totaling 1400124 residues. core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDDDLEE | aa = MLASQDQLL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00033 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00025 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDDLEEE | aa = LASQDQLLE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00011 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00013 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDLEEEE | aa = ASQDQLLES core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00044 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0005 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDLEEEEL | aa = SQDQLLESG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00007 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDLEEEELL | aa = QDQLLESGD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00044 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00005 core.fragment.picking_old.vall.eval.IdentityEval: ss = DLEEEELLE | aa = DQLLESGDL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00015 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00021 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLEE | aa = QLLESGDLV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00074 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00033 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLEEE | aa = LLESGDLVL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00068 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00045 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLEEEE | aa = LESGDLVLN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0009 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLEEEEL | aa = ESGDLVLNV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00022 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0002 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLEEEELL | aa = SGDLVLNVE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.0005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00025 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELLL | aa = GDLVLNVEQ core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLLL | aa = DLVLNVEQH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00007 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0001 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLLLE | aa = LVLNVEQHI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00009 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00011 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLLLEE | aa = VLNVEQHIA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00033 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00014 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLLLEEE | aa = LNVEQHIAT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00035 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLLLEEEE | aa = NVEQHIATF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00038 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLLEEEEL | aa = VEQHIATFK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00073 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00036 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEEEELL | aa = EQHIATFKG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00023 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00028 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELLE | aa = QHIATFKGQ core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLEE | aa = HIATFKGQR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00055 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00071 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLEEE | aa = IATFKGQRI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00007 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00075 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLEEEL | aa = ATFKGQRID core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00049 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00028 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLEEELL | aa = TFKGQRIDL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00011 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00044 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLEEELLL | aa = FKGQRIDLS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00027 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00049 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEELLLH | aa = KGQRIDLSN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00018 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEELLLHH | aa = GQRIDLSNR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00016 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLLHHH | aa = QRIDLSNRE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.0006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00044 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLLHHHH | aa = RIDLSNREW core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00026 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00038 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLLHHHHH | aa = IDLSNREWA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLHHHHHH | aa = DLSNREWAI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00029 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLHHHHHHH | aa = LSNREWAIL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00021 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00006 core.fragment.picking_old.vall.eval.IdentityEval: ss = LHHHHHHHH | aa = SNREWAILI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00062 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00014 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = NREWAILIP core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00012 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = REWAILIPL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = EWAILIPLM core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00008 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = WAILIPLMT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00038 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00012 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHL | aa = AILIPLMTH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00017 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00035 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHLL | aa = ILIPLMTHP core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00042 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0006 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHLLL | aa = LIPLMTHPN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00021 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHLLLL | aa = IPLMTHPNK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00044 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHLLLLE | aa = PLMTHPNKI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00027 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHLLLLEE | aa = LMTHPNKIF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00028 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHLLLLEEL | aa = MTHPNKIFS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00051 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00019 core.fragment.picking_old.vall.eval.IdentityEval: ss = HLLLLEELH | aa = THPNKIFSK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00043 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 8.00002 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLLEELHH | aa = HPNKIFSKA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 6 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00027 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEELHHH | aa = PNKIFSKAN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 6.00004 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00016 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEELHHHH | aa = NKIFSKANL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 6.00004 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00004 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEELHHHHH | aa = KIFSKANLE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00053 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELHHHHHH | aa = IFSKANLED core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00008 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELHHHHHHH | aa = FSKANLEDK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00009 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00006 core.fragment.picking_old.vall.eval.IdentityEval: ss = LHHHHHHHH | aa = SKANLEDKL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 4.00096 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = KANLEDKLY core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.0004 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHL | aa = ANLEDKLYD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00015 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00017 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHLL | aa = NLEDKLYDF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00055 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00049 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHLLD | aa = LEDKLYDFD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00033 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00032 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHLLDD | aa = EDKLYDFDS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00047 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHLLDDD | aa = DKLYDFDSD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00085 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00038 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHLLDDDD | aa = KLYDFDSDV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00067 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0002 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHLLDDDDL | aa = LYDFDSDVT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00051 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0008 core.fragment.picking_old.vall.eval.IdentityEval: ss = HLLDDDDLL | aa = YDFDSDVTS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00009 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLDDDDLLH | aa = DFDSDVTSN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00019 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00002 core.fragment.picking_old.vall.eval.IdentityEval: ss = LDDDDLLHH | aa = FDSDVTSNT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00016 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00004 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDLLHHH | aa = DSDVTSNTI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0007 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00066 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDLLHHHH | aa = SDVTSNTIE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00074 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00062 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDLLHHHHH | aa = DVTSNTIEV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00062 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00069 core.fragment.picking_old.vall.eval.IdentityEval: ss = DLLHHHHHH | aa = VTSNTIEVY core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00034 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLHHHHHHH | aa = TSNTIEVYV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00018 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LHHHHHHHH | aa = SNTIEVYVH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = NTIEVYVHH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00011 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00021 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = TIEVYVHHL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00009 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = IEVYVHHLR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00009 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00006 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = EVYVHHLRA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00005 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = VYVHHLRAK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00025 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00007 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = YVHHLRAKL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00002 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHL | aa = VHHLRAKLG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.0005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHLL | aa = HHLRAKLGK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00004 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00006 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHLLL | aa = HLRAKLGKD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHLLLL | aa = LRAKLGKDF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00004 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHLLLLE | aa = RAKLGKDFI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00074 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHLLLLEE | aa = AKLGKDFIR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00013 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHLLLLEEE | aa = KLGKDFIRT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00007 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00012 core.fragment.picking_old.vall.eval.IdentityEval: ss = HLLLLEEEE | aa = LGKDFIRTI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00004 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00011 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLLEEEEL | aa = GKDFIRTIR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00049 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00015 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEEEELL | aa = KDFIRTIRG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00017 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELLL | aa = DFIRTIRGL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00004 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0002 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLLE | aa = FIRTIRGLG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00024 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00064 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLLEE | aa = IRTIRGLGY core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00036 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00015 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLLEEE | aa = RTIRGLGYR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00079 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00026 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLLEEEE | aa = TIRGLGYRL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00032 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00013 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLLEEEEL | aa = IRGLGYRLG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00091 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00034 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEEEELD | aa = RGLGYRLGQ core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00087 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00006 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELDD | aa = GLGYRLGQS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00009 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00003 protocols.hybridization.HybridizeProtocol: Found 1 domains using template default protocols.hybridization.HybridizeProtocol: domain 1: LOOP begin end cut skip_rate extended protocols.hybridization.HybridizeProtocol: LOOP start: 1 stop: 101 cut: 0 size: 101 skip rate: 0 extended?: False protocols.hybridization.HybridizeProtocol: protocols.hybridization.HybridizeProtocol: protocols.hybridization.HybridizeProtocol: FRAGMENTS small max length: 3 protocols.hybridization.HybridizeProtocol: FRAGMENTS big max length: 9 protocols.hybridization.HybridizeProtocol: Using initial template: 1 default protocols.hybridization.HybridizeProtocol: Align domain with TMscore of 1.000 protocols.hybridization.HybridizeProtocol: QLLESGDLVLNVEQHIATFKGQRIDLSNREWAILIPLMTHPNKIFSKANLEDKLYDFTSNTIEVYVHHLRAKLGKDFIRTIRGLGYRLG protocols.hybridization.HybridizeProtocol: ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: protocols.hybridization.HybridizeProtocol: QLLESGDLVLNVEQHIATFKGQRIDLSNREWAILIPLMTHPNKIFSKANLEDKLYDFTSNTIEVYVHHLRAKLGKDFIRTIRGLGYRLG core.fragment: compute strand/loop fractions for 101 residues... protocols.hybridization.FoldTreeHybridize: Secondary structure from fragments: HELLLLLEEEELLEEEELLLLEEEELLEEELLLHHHHHHHHHHHHLLLLEELHHHHHHHHHLLLLLLLLHHHHHHHHHHHHHHLLLLEEEELLLEEEELLLL protocols.hybridization.FoldTreeHybridize: Steal chunks with rate = 0 protocols.hybridization.FoldTreeHybridize: Chunks used for foldtree setup: protocols.hybridization.FoldTreeHybridize: LOOP begin end cut skip_rate extended protocols.hybridization.FoldTreeHybridize: LOOP start: 8 stop: 17 cut: 0 size: 10 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 22 stop: 30 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 34 stop: 45 cut: 0 size: 12 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 53 stop: 61 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 70 stop: 83 cut: 0 size: 14 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 88 stop: 98 cut: 0 size: 11 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 1 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 8 stop: 17 cut: 0 size: 10 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 2 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 22 stop: 30 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 3 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 34 stop: 45 cut: 0 size: 12 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 4 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 53 stop: 61 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 5 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 70 stop: 83 cut: 0 size: 14 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 6 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 88 stop: 98 cut: 0 size: 11 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 2 at 19 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: ELLLL protocols.hybridization.HybridizeFoldtreeDynamic: --*-- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 3 at 31 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: ELLL protocols.hybridization.HybridizeFoldtreeDynamic: -*-- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 4 at 48 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: HLLLLEEL protocols.hybridization.HybridizeFoldtreeDynamic: ---*---- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 5 at 65 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: HLLLLLLLL protocols.hybridization.HybridizeFoldtreeDynamic: ----*---- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 6 at 85 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: HLLLL protocols.hybridization.HybridizeFoldtreeDynamic: --*-- core.pose.util: [ WARNING ] addVirtualResAsRoot() called but pose is already rooted on a VRT residue ... continuing. protocols.loops.loops_main: Added cutpoint variant to residue 19 protocols.loops.loops_main: Added cutpoint variant to residue 20 protocols.loops.loops_main: Added cutpoint variant to residue 31 protocols.loops.loops_main: Added cutpoint variant to residue 32 protocols.loops.loops_main: Added cutpoint variant to residue 48 protocols.loops.loops_main: Added cutpoint variant to residue 49 protocols.loops.loops_main: Added cutpoint variant to residue 65 protocols.loops.loops_main: Added cutpoint variant to residue 66 protocols.loops.loops_main: Added cutpoint variant to residue 85 protocols.loops.loops_main: Added cutpoint variant to residue 86 protocols.loops.loops_main: [ WARNING ] Residue 101 is not compatible with cutpoints; variant type not changed. protocols.loops.loops_main: [ WARNING ] Residue 102 is not compatible with cutpoints; variant type not changed. protocols.hybridization.FoldTreeHybridize: FOLD_TREE EDGE 102 10 1 EDGE 102 25 2 EDGE 102 38 3 EDGE 102 55 4 EDGE 102 83 5 EDGE 102 91 6 EDGE 10 1 -1 EDGE 10 19 -1 EDGE 25 20 -1 EDGE 25 31 -1 EDGE 38 32 -1 EDGE 38 48 -1 EDGE 55 49 -1 EDGE 55 65 -1 EDGE 83 66 -1 EDGE 83 85 -1 EDGE 91 86 -1 EDGE 91 101 -1 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for 1mer fragments: 0.00000 0 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for small fragments: 0.00000 0 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for big fragments: 0.98425 375 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for template chunks: 0.01575 6 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 1 Folding with score0 for max of 2000 core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.0637226,1.07703] core.scoring.electron_density.ElectronDensity: Bin 1: B(C/N/O/S)=17.119 / 16.3189 / 16.9402 / 24.5176 sum=(0,0) protocols.hybridization.FoldTreeHybridize: Stage 1: Replaced extended chains after 95 cycles. protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -37.6701 -38.3815 protocols.moves.TrialCounter: RandomMover trials= 95; accepts= 0.4842; energy_drop/trial= -0.05521 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 2 Folding with score1 for 2000 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -56.4188 -70.7539 protocols.moves.TrialCounter: ChunkTrialMover trials= 28; accepts= 0.6786; energy_drop/trial= -0.57221 protocols.moves.TrialCounter: WeightedFragment trials= 1972; accepts= 0.2617; energy_drop/trial= -0.00266 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 3 Folding with score2 and score5 for 2000 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 1 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -63.2421 -78.5857 protocols.moves.TrialCounter: ChunkTrialMover trials= 29; accepts= 0.7931; energy_drop/trial= -0.58035 protocols.moves.TrialCounter: WeightedFragment trials= 1971; accepts= 0.1979; energy_drop/trial= 0.01295 protocols.hybridization.FoldTreeHybridize: Stage 3 select score5... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 2 protocols.hybridization.FoldTreeHybridize: stop cycles due to convergence, converge_rms_big: 2.63654 converge_rms_small: 0 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -61.4498 -70.7381 protocols.moves.TrialCounter: ChunkTrialMover trials= 11; accepts= 0.8182; energy_drop/trial= -0.23415 protocols.moves.TrialCounter: WeightedFragment trials= 937; accepts= 0.2038; energy_drop/trial= 0.01266 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 3 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -61.3164 -75.1973 protocols.moves.TrialCounter: ChunkTrialMover trials= 29; accepts= 0.7586; energy_drop/trial= -0.14461 protocols.moves.TrialCounter: WeightedFragment trials= 1971; accepts= 0.1857; energy_drop/trial= 0.00917 protocols.hybridization.FoldTreeHybridize: Stage 3 select score5... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 4 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -67.3119 -70.0604 protocols.moves.TrialCounter: ChunkTrialMover trials= 26; accepts= 0.6923; energy_drop/trial= -0.09485 protocols.moves.TrialCounter: WeightedFragment trials= 1974; accepts= 0.1966; energy_drop/trial= 0.00264 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 5 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -64.0133 -73.4665 protocols.moves.TrialCounter: ChunkTrialMover trials= 31; accepts= 0.7097; energy_drop/trial= -0.73621 protocols.moves.TrialCounter: WeightedFragment trials= 1969; accepts= 0.1239; energy_drop/trial= 0.01555 protocols.hybridization.FoldTreeHybridize: Stage 3 select score5... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 6 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -62.0161 -69.6623 protocols.moves.TrialCounter: ChunkTrialMover trials= 25; accepts= 0.8000; energy_drop/trial= -0.24234 protocols.moves.TrialCounter: WeightedFragment trials= 1975; accepts= 0.1884; energy_drop/trial= 0.00694 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 7 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -63.2349 -71.8094 protocols.moves.TrialCounter: ChunkTrialMover trials= 36; accepts= 0.7778; energy_drop/trial= -0.89808 protocols.moves.TrialCounter: WeightedFragment trials= 1964; accepts= 0.0901; energy_drop/trial= 0.02032 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 8 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -51.1095 -70.8568 protocols.moves.TrialCounter: ChunkTrialMover trials= 34; accepts= 0.8235; energy_drop/trial= -0.26512 protocols.moves.TrialCounter: WeightedFragment trials= 1966; accepts= 0.0905; energy_drop/trial= 0.01463 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 9 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -59.0796 -70.3901 protocols.moves.TrialCounter: ChunkTrialMover trials= 36; accepts= 0.5556; energy_drop/trial= -0.11189 protocols.moves.TrialCounter: WeightedFragment trials= 1964; accepts= 0.0560; energy_drop/trial= 0.00756 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 10 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -51.1533 -69.9673 protocols.moves.TrialCounter: ChunkTrialMover trials= 20; accepts= 0.8500; energy_drop/trial= -0.39675 protocols.moves.TrialCounter: WeightedFragment trials= 1980; accepts= 0.0702; energy_drop/trial= 0.01320 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 4 Folding with score3 for 400 protocols.hybridization.FoldTreeHybridize: Stage 4 loop iteration 1: small fragments trials protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -33.4098 -43.5106 protocols.moves.TrialCounter: ChunkTrialMover trials= 10; accepts= 0.8000; energy_drop/trial= 0.08275 protocols.moves.TrialCounter: WeightedFragment trials= 390; accepts= 0.2821; energy_drop/trial= -0.01622 protocols.hybridization.FoldTreeHybridize: Stage 4 loop iteration 2: small fragments smooth trials protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -35.7065 -48.3672 protocols.moves.TrialCounter: ChunkTrialMover trials= 7; accepts= 0.2857; energy_drop/trial= -0.38632 protocols.moves.TrialCounter: WeightedFragment trials= 393; accepts= 0.2952; energy_drop/trial= 0.02241 protocols.hybridization.FoldTreeHybridize: Stage 4 loop iteration 3: small fragments smooth trials protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -40.804 -47.2142 protocols.moves.TrialCounter: ChunkTrialMover trials= 8; accepts= 0.2500; energy_drop/trial= 0.00000 protocols.moves.TrialCounter: WeightedFragment trials= 392; accepts= 0.2015; energy_drop/trial= 0.01495 protocols.hybridization.HybridizeProtocol: Realigning template domains to stage1 pose. core.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes. protocols.hybridization.CartesianHybridize: RUNNING FOR 4 MACROCYCLES protocols.hybridization.CartesianHybridize: total_res=102 prot_res=101 protocols.hybridization.CartesianHybridize: CYCLE 1 protocols.hybridization.CartesianHybridize: setting bonded weight = 0 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 0.1 core.energy_methods.CartesianBondedEnergy: Creating new peptide-bonded energy container (102) core.energy_methods.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80 core.energy_methods.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300 core.energy_methods.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -146.558 -146.558 protocols.moves.TrialCounter: fragNS_15+ trials= 42; accepts= 0.3095; energy_drop/trial= -0.38261 protocols.moves.TrialCounter: fragNS_5-14 trials= 28 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 12; accepts= 0.0833; energy_drop/trial= -0.81069 protocols.moves.TrialCounter: picker_rand trials= 18; accepts= 0.1667; energy_drop/trial= -1.21453 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -148.504 -152.398 protocols.moves.TrialCounter: fragNS_15+ trials= 91; accepts= 0.1758; energy_drop/trial= -0.21702 protocols.moves.TrialCounter: fragNS_5-14 trials= 55 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 25; accepts= 0.0800; energy_drop/trial= -0.31982 protocols.moves.TrialCounter: picker_rand trials= 29; accepts= 0.1034; energy_drop/trial= -0.75384 protocols.hybridization.CartesianHybridize: CYCLE 2 protocols.hybridization.CartesianHybridize: setting bonded weight = 0.0005 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 0.1 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -159.415 -159.415 protocols.moves.TrialCounter: frag_15+ trials= 41; accepts= 0.2927; energy_drop/trial= -0.21691 protocols.moves.TrialCounter: frag_5-14 trials= 25 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 19 NO ACCEPTS. protocols.moves.TrialCounter: picker_rand trials= 15; accepts= 0.1333; energy_drop/trial= 0.00745 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -173.495 -173.495 protocols.moves.TrialCounter: frag_15+ trials= 95; accepts= 0.3895; energy_drop/trial= -0.22371 protocols.moves.TrialCounter: frag_5-14 trials= 50 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 26 NO ACCEPTS. protocols.moves.TrialCounter: picker_rand trials= 29; accepts= 0.1724; energy_drop/trial= -0.05551 protocols.hybridization.CartesianHybridize: CYCLE 3 protocols.hybridization.CartesianHybridize: setting bonded weight = 0.005 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 0.1 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -172.487 -172.808 protocols.moves.TrialCounter: frag_15+ trials= 52; accepts= 0.3654; energy_drop/trial= -0.11112 protocols.moves.TrialCounter: frag_5-14 trials= 28 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 11 NO ACCEPTS. protocols.moves.TrialCounter: picker_rand trials= 9; accepts= 0.1111; energy_drop/trial= 0.03565 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -167.325 -172.808 protocols.moves.TrialCounter: frag_15+ trials= 102; accepts= 0.1863; energy_drop/trial= -0.05665 protocols.moves.TrialCounter: frag_5-14 trials= 45 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 26; accepts= 0.0769; energy_drop/trial= 0.19853 protocols.moves.TrialCounter: picker_rand trials= 27; accepts= 0.0370; energy_drop/trial= 0.01188 protocols.hybridization.CartesianHybridize: CYCLE 4 protocols.hybridization.CartesianHybridize: setting bonded weight = 0.05 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 1 core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -189.932 -190.74 protocols.moves.TrialCounter: picker trials= 39; accepts= 0.2051; energy_drop/trial= -0.66760 protocols.moves.TrialCounter: picker_rand trials= 61; accepts= 0.2623; energy_drop/trial= -0.80775 protocols.hybridization.HybridizeProtocol: History : 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 protocols.hybridization.HybridizeProtocol: History : 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 protocols.relax.RelaxScriptManager: Reading relax scripts list from database. protocols.relax.RelaxScriptManager: Looking for MonomerRelax2019.txt protocols.relax.RelaxScriptManager: ================== Reading script file: /usr/local/rosetta_src_2021.16.61629_bundle/main/database/sampling/relax_scripts/MonomerRelax2019.txt ================== protocols.relax.RelaxScriptManager: repeat %%nrepeats%% protocols.relax.RelaxScriptManager: coord_cst_weight 1.0 protocols.relax.RelaxScriptManager: scale:fa_rep 0.040 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: scale:fa_rep 0.051 protocols.relax.RelaxScriptManager: min 0.01 protocols.relax.RelaxScriptManager: coord_cst_weight 0.5 protocols.relax.RelaxScriptManager: scale:fa_rep 0.265 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: scale:fa_rep 0.280 protocols.relax.RelaxScriptManager: min 0.01 protocols.relax.RelaxScriptManager: coord_cst_weight 0.0 protocols.relax.RelaxScriptManager: scale:fa_rep 0.559 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: scale:fa_rep 0.581 protocols.relax.RelaxScriptManager: min 0.01 protocols.relax.RelaxScriptManager: coord_cst_weight 0.0 protocols.relax.RelaxScriptManager: scale:fa_rep 1 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: min 0.00001 protocols.relax.RelaxScriptManager: accept_to_best protocols.relax.RelaxScriptManager: endrepeat core.energy_methods.CartesianBondedEnergy: Creating new peptide-bonded energy container (102) protocols.relax.FastRelax: CMD: repeat 49180.2 0 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 49180.2 0 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4956.66 0 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1471 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -378.734 0 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -347.442 0 0 0.02805 protocols.relax.FastRelax: CMD: min -771.073 0.83836 0.83836 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -771.073 0.83836 0.83836 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -597.309 0.83836 0.83836 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1416 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -603.927 0.83836 0.83836 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -592.858 0.83836 0.83836 0.154 protocols.relax.FastRelax: CMD: min -695.57 0.881259 0.881259 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -695.57 0.881259 0.881259 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -634.653 0.881259 0.881259 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1345 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -636.493 0.881259 0.881259 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -631.656 0.881259 0.881259 0.31955 protocols.relax.FastRelax: CMD: min -651.76 0.920423 0.920423 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -651.76 0.920423 0.920423 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -594.65 0.920423 0.920423 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1323 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -594.819 0.920423 0.920423 0.55 core.optimization.LineMinimizer: Inaccurate G in step= 1.52588e-07 Deriv= -31.3656 Finite Diff= -3.05866 core.optimization.LineMinimizer: Inaccurate G in step= 9.56358e-08 Deriv= -34.5224 Finite Diff= 26.4403 protocols.relax.FastRelax: CMD: min -648.591 1.02703 1.02703 0.55 protocols.relax.FastRelax: MRP: 0 -648.591 -648.591 1.02703 1.02703 protocols.relax.FastRelax: CMD: accept_to_best -648.591 1.02703 1.02703 0.55 protocols.relax.FastRelax: CMD: endrepeat -648.591 1.02703 1.02703 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -648.591 1.02703 1.02703 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -722.045 1.02703 1.02703 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1469 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -743.193 1.02703 1.02703 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -739.961 1.02703 1.02703 0.02805 protocols.relax.FastRelax: CMD: min -824.522 1.00524 1.00524 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -824.522 1.00524 1.00524 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -671.778 1.00524 1.00524 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1361 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -673.878 1.00524 1.00524 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -664.285 1.00524 1.00524 0.154 protocols.relax.FastRelax: CMD: min -757.546 0.995131 0.995131 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -757.546 0.995131 0.995131 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -705.334 0.995131 0.995131 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1325 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -704.933 0.995131 0.995131 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -700.835 0.995131 0.995131 0.31955 protocols.relax.FastRelax: CMD: min -712.313 0.998524 0.998524 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -712.313 0.998524 0.998524 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -657.977 0.998524 0.998524 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1321 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -657.997 0.998524 0.998524 0.55 protocols.relax.FastRelax: CMD: min -683.337 1.07616 1.07616 0.55 protocols.relax.FastRelax: MRP: 1 -683.337 -683.337 1.07616 1.07616 protocols.relax.FastRelax: CMD: accept_to_best -683.337 1.07616 1.07616 0.55 protocols.relax.FastRelax: CMD: endrepeat -683.337 1.07616 1.07616 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax protocols.jd2.JobDistributor: S_2GWR__0001 reported success in 721 seconds protocols.comparative_modeling.threading: [ WARNING ] skipping atom,position H ,7 because template doesn't have atom H . protocols.comparative_modeling.threading: [ WARNING ] skipping atom,position HE2,46 because template doesn't have atom HE2. protocols.comparative_modeling.threading: [ WARNING ] skipping atom,position HE2,77 because template doesn't have atom HE2. core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDDDLEE | aa = MLASQDQLL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00031 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDDLEEE | aa = LASQDQLLE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00006 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00026 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDLEEEE | aa = ASQDQLLES core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00008 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0004 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDLEEEEL | aa = SQDQLLESG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00076 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00013 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDLEEEELL | aa = QDQLLESGD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00008 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00002 core.fragment.picking_old.vall.eval.IdentityEval: ss = DLEEEELLE | aa = DQLLESGDL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00024 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00023 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLEE | aa = QLLESGDLV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00038 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00028 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLEEE | aa = LLESGDLVL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00086 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00044 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLEEEE | aa = LESGDLVLN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00094 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLEEEEL | aa = ESGDLVLNV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.0003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0003 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLEEEELL | aa = SGDLVLNVE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00007 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00027 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELLL | aa = GDLVLNVEQ core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLLL | aa = DLVLNVEQH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00015 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00008 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLLLE | aa = LVLNVEQHI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00008 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLLLEE | aa = VLNVEQHIA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00014 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00015 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLLLEEE | aa = LNVEQHIAT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00056 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00026 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLLLEEEE | aa = NVEQHIATF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00075 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00048 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLLEEEEL | aa = VEQHIATFK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00072 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00051 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEEEELL | aa = EQHIATFKG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00022 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELLE | aa = QHIATFKGQ core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00043 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLEE | aa = HIATFKGQR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00083 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00058 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLEEE | aa = IATFKGQRI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.0002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00092 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLEEEL | aa = ATFKGQRID core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00039 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0003 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLEEELL | aa = TFKGQRIDL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00058 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00061 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLEEELLL | aa = FKGQRIDLS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00072 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00071 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEELLLH | aa = KGQRIDLSN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00016 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00004 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEELLLHH | aa = GQRIDLSNR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00052 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.0001 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLLHHH | aa = QRIDLSNRE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00017 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0006 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLLHHHH | aa = RIDLSNREW core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00028 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0004 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLLHHHHH | aa = IDLSNREWA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00009 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00012 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLHHHHHH | aa = DLSNREWAI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00034 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00023 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLHHHHHHH | aa = LSNREWAIL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.0001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00007 core.fragment.picking_old.vall.eval.IdentityEval: ss = LHHHHHHHH | aa = SNREWAILI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00086 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00011 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = NREWAILIP core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00015 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = REWAILIPL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = EWAILIPLM core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00008 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00009 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = WAILIPLMT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00004 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00012 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHL | aa = AILIPLMTH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00009 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00028 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHLL | aa = ILIPLMTHP core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00066 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHLLL | aa = LIPLMTHPN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00093 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0007 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHLLLL | aa = IPLMTHPNK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00021 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHLLLLE | aa = PLMTHPNKI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00043 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00034 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHLLLLEE | aa = LMTHPNKIF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00015 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00014 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHLLLLEEL | aa = MTHPNKIFS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00076 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00023 core.fragment.picking_old.vall.eval.IdentityEval: ss = HLLLLEELH | aa = THPNKIFSK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00084 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 8.00002 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLLEELHH | aa = HPNKIFSKA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 6.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00019 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEELHHH | aa = PNKIFSKAN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 6.0002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.0001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEELHHHH | aa = NKIFSKANL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 6.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 7.00006 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEELHHHHH | aa = KIFSKANLE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00035 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0006 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELHHHHHH | aa = IFSKANLED core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0001 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELHHHHHHH | aa = FSKANLEDK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00009 core.fragment.picking_old.vall.eval.IdentityEval: ss = LHHHHHHHH | aa = SKANLEDKL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00015 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 4.00094 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = KANLEDKLY core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00032 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHL | aa = ANLEDKLYD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00021 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHLL | aa = NLEDKLYDF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00086 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00075 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHLLD | aa = LEDKLYDFD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00042 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00023 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHLLDD | aa = EDKLYDFDS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00063 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00051 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHLLDDD | aa = DKLYDFDSD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00034 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHLLDDDD | aa = KLYDFDSDV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00089 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00011 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHLLDDDDL | aa = LYDFDSDVT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00096 core.fragment.picking_old.vall.eval.IdentityEval: ss = HLLDDDDLL | aa = YDFDSDVTS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00007 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00004 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLDDDDLLH | aa = DFDSDVTSN core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00052 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LDDDDLLHH | aa = FDSDVTSNT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00024 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00005 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDDLLHHH | aa = DSDVTSNTI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00051 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00069 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDDLLHHHH | aa = SDVTSNTIE core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00068 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0008 core.fragment.picking_old.vall.eval.IdentityEval: ss = DDLLHHHHH | aa = DVTSNTIEV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00067 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00083 core.fragment.picking_old.vall.eval.IdentityEval: ss = DLLHHHHHH | aa = VTSNTIEVY core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0008 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLHHHHHHH | aa = TSNTIEVYV core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00083 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LHHHHHHHH | aa = SNTIEVYVH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = NTIEVYVHH core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00026 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00035 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = TIEVYVHHL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00008 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.0001 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = IEVYVHHLR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00027 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00008 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = EVYVHHLRA core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = VYVHHLRAK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00021 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00008 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHH | aa = YVHHLRAKL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00001 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHHL | aa = VHHLRAKLG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00024 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00004 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHHLL | aa = HHLRAKLGK core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00018 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00007 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHHLLL | aa = HLRAKLGKD core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00002 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00003 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHHLLLL | aa = LRAKLGKDF core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.0003 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00004 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHHLLLLE | aa = RAKLGKDFI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00013 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 5.00061 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHHLLLLEE | aa = AKLGKDFIR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00022 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00002 core.fragment.picking_old.vall.eval.IdentityEval: ss = HHLLLLEEE | aa = KLGKDFIRT core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00012 core.fragment.picking_old.vall.eval.IdentityEval: ss = HLLLLEEEE | aa = LGKDFIRTI core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.0005 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00016 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLLEEEEL | aa = GKDFIRTIR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00018 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00021 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEEEELL | aa = KDFIRTIRG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00027 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00023 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELLL | aa = DFIRTIRGL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00007 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00016 core.fragment.picking_old.vall.eval.IdentityEval: ss = LEEEELLLE | aa = FIRTIRGLG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00016 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00057 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEEELLLEE | aa = IRTIRGLGY core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00097 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00011 core.fragment.picking_old.vall.eval.IdentityEval: ss = EEELLLEEE | aa = RTIRGLGYR core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00023 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00022 core.fragment.picking_old.vall.eval.IdentityEval: ss = EELLLEEEE | aa = TIRGLGYRL core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 3.00027 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00008 core.fragment.picking_old.vall.eval.IdentityEval: ss = ELLLEEEEL | aa = IRGLGYRLG core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00076 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0004 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLLEEEELD | aa = RGLGYRLGQ core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 4.00071 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.0001 core.fragment.picking_old.vall.eval.IdentityEval: ss = LLEEEELDD | aa = GLGYRLGQS core.fragment.picking_old.vall.VallLibrarian: best fragment: score = 5.00001 core.fragment.picking_old.vall.VallLibrarian: worst fragment: score = 6.00002 protocols.hybridization.HybridizeProtocol: Found 1 domains using template default protocols.hybridization.HybridizeProtocol: domain 1: LOOP begin end cut skip_rate extended protocols.hybridization.HybridizeProtocol: LOOP start: 1 stop: 101 cut: 0 size: 101 skip rate: 0 extended?: False protocols.hybridization.HybridizeProtocol: protocols.hybridization.HybridizeProtocol: protocols.hybridization.HybridizeProtocol: FRAGMENTS small max length: 3 protocols.hybridization.HybridizeProtocol: FRAGMENTS big max length: 9 protocols.hybridization.HybridizeProtocol: Using initial template: 1 default protocols.hybridization.HybridizeProtocol: Align domain with TMscore of 1.000 protocols.hybridization.HybridizeProtocol: QLLESGDLVLNVEQHIATFKGQRIDLSNREWAILIPLMTHPNKIFSKANLEDKLYDFTSNTIEVYVHHLRAKLGKDFIRTIRGLGYRLG protocols.hybridization.HybridizeProtocol: ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: protocols.hybridization.HybridizeProtocol: QLLESGDLVLNVEQHIATFKGQRIDLSNREWAILIPLMTHPNKIFSKANLEDKLYDFTSNTIEVYVHHLRAKLGKDFIRTIRGLGYRLG core.fragment: compute strand/loop fractions for 101 residues... protocols.hybridization.FoldTreeHybridize: Secondary structure from fragments: LLLLLLLEEEELLEEEELLLLEEEELLEEELLLHHHHHHHHHHHHLLLLEELHHHHHHHHHLLLLLLLLHHHHHHHHHHHHHHLLLLEEEELLLEEEELLLL protocols.hybridization.FoldTreeHybridize: Steal chunks with rate = 0 protocols.hybridization.FoldTreeHybridize: Chunks used for foldtree setup: protocols.hybridization.FoldTreeHybridize: LOOP begin end cut skip_rate extended protocols.hybridization.FoldTreeHybridize: LOOP start: 8 stop: 17 cut: 0 size: 10 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 22 stop: 30 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 34 stop: 45 cut: 0 size: 12 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 53 stop: 61 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 70 stop: 83 cut: 0 size: 14 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: LOOP start: 88 stop: 98 cut: 0 size: 11 skip rate: 0 extended?: False protocols.hybridization.FoldTreeHybridize: protocols.hybridization.FoldTreeHybridize: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 1 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 8 stop: 17 cut: 0 size: 10 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 2 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 22 stop: 30 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 3 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 34 stop: 45 cut: 0 size: 12 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 4 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 53 stop: 61 cut: 0 size: 9 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 5 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 70 stop: 83 cut: 0 size: 14 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Identified template core chunk with index: 6 protocols.hybridization.HybridizeFoldtreeDynamic: LOOP start: 88 stop: 98 cut: 0 size: 11 skip rate: 0 extended?: False protocols.hybridization.HybridizeFoldtreeDynamic: protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 2 at 19 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: ELLLL protocols.hybridization.HybridizeFoldtreeDynamic: --*-- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 3 at 31 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: ELLL protocols.hybridization.HybridizeFoldtreeDynamic: -*-- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 4 at 48 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: HLLLLEEL protocols.hybridization.HybridizeFoldtreeDynamic: ---*---- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 5 at 65 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: HLLLLLLLL protocols.hybridization.HybridizeFoldtreeDynamic: ----*---- protocols.hybridization.HybridizeFoldtreeDynamic: Cutpoint 6 at 85 protocols.hybridization.HybridizeFoldtreeDynamic: Loop SS: HLLLL protocols.hybridization.HybridizeFoldtreeDynamic: --*-- core.pose.util: [ WARNING ] addVirtualResAsRoot() called but pose is already rooted on a VRT residue ... continuing. protocols.loops.loops_main: Added cutpoint variant to residue 19 protocols.loops.loops_main: Added cutpoint variant to residue 20 protocols.loops.loops_main: Added cutpoint variant to residue 31 protocols.loops.loops_main: Added cutpoint variant to residue 32 protocols.loops.loops_main: Added cutpoint variant to residue 48 protocols.loops.loops_main: Added cutpoint variant to residue 49 protocols.loops.loops_main: Added cutpoint variant to residue 65 protocols.loops.loops_main: Added cutpoint variant to residue 66 protocols.loops.loops_main: Added cutpoint variant to residue 85 protocols.loops.loops_main: Added cutpoint variant to residue 86 protocols.loops.loops_main: [ WARNING ] Residue 101 is not compatible with cutpoints; variant type not changed. protocols.loops.loops_main: [ WARNING ] Residue 102 is not compatible with cutpoints; variant type not changed. protocols.hybridization.FoldTreeHybridize: FOLD_TREE EDGE 102 10 1 EDGE 102 23 2 EDGE 102 41 3 EDGE 102 54 4 EDGE 102 77 5 EDGE 102 95 6 EDGE 10 1 -1 EDGE 10 19 -1 EDGE 23 20 -1 EDGE 23 31 -1 EDGE 41 32 -1 EDGE 41 48 -1 EDGE 54 49 -1 EDGE 54 65 -1 EDGE 77 66 -1 EDGE 77 85 -1 EDGE 95 86 -1 EDGE 95 101 -1 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for 1mer fragments: 0.00000 0 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for small fragments: 0.13123 50 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for big fragments: 0.85302 325 protocols.hybridization.FoldTreeHybridize: auto_frag_insertion_weight for template chunks: 0.01575 6 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 1 Folding with score0 for max of 2000 protocols.hybridization.FoldTreeHybridize: Stage 1: Replaced extended chains after 19 cycles. protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -32.9439 -35.3299 protocols.moves.TrialCounter: RandomMover trials= 19; accepts= 0.5789; energy_drop/trial= -0.02729 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 2 Folding with score1 for 2000 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -79.2834 -87.9765 protocols.moves.TrialCounter: ChunkTrialMover trials= 31; accepts= 0.6129; energy_drop/trial= -0.45378 protocols.moves.TrialCounter: WeightedFragment trials= 1969; accepts= 0.2087; energy_drop/trial= -0.00463 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 3 Folding with score2 and score5 for 2000 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 1 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -81.9231 -92.5659 protocols.moves.TrialCounter: ChunkTrialMover trials= 36; accepts= 0.5833; energy_drop/trial= -0.30951 protocols.moves.TrialCounter: WeightedFragment trials= 1964; accepts= 0.2006; energy_drop/trial= 0.00850 protocols.hybridization.FoldTreeHybridize: Stage 3 select score5... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 2 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -74.2721 -87.3216 protocols.moves.TrialCounter: ChunkTrialMover trials= 31; accepts= 0.6774; energy_drop/trial= -0.56369 protocols.moves.TrialCounter: WeightedFragment trials= 1969; accepts= 0.2448; energy_drop/trial= 0.01411 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 3 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -75.2557 -91.1324 protocols.moves.TrialCounter: ChunkTrialMover trials= 27; accepts= 0.5926; energy_drop/trial= -0.66807 protocols.moves.TrialCounter: WeightedFragment trials= 1973; accepts= 0.1500; energy_drop/trial= 0.01719 protocols.hybridization.FoldTreeHybridize: Stage 3 select score5... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 4 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -77.4406 -86.5432 protocols.moves.TrialCounter: ChunkTrialMover trials= 34; accepts= 0.6176; energy_drop/trial= -0.11179 protocols.moves.TrialCounter: WeightedFragment trials= 1966; accepts= 0.2386; energy_drop/trial= 0.00656 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 5 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -77.8834 -87.2403 protocols.moves.TrialCounter: ChunkTrialMover trials= 27; accepts= 0.4444; energy_drop/trial= -0.02050 protocols.moves.TrialCounter: WeightedFragment trials= 1973; accepts= 0.1673; energy_drop/trial= 0.00502 protocols.hybridization.FoldTreeHybridize: Stage 3 select score5... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 6 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -68.6922 -85.7648 protocols.moves.TrialCounter: ChunkTrialMover trials= 36; accepts= 0.6111; energy_drop/trial= -0.17239 protocols.moves.TrialCounter: WeightedFragment trials= 1964; accepts= 0.2235; energy_drop/trial= 0.01185 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 7 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -72.5656 -84.5429 protocols.moves.TrialCounter: ChunkTrialMover trials= 30; accepts= 0.6333; energy_drop/trial= -0.38272 protocols.moves.TrialCounter: WeightedFragment trials= 1970; accepts= 0.1142; energy_drop/trial= 0.01130 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 8 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -62.9937 -84.0841 protocols.moves.TrialCounter: ChunkTrialMover trials= 26; accepts= 0.4615; energy_drop/trial= -0.22739 protocols.moves.TrialCounter: WeightedFragment trials= 1974; accepts= 0.1256; energy_drop/trial= 0.01341 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 9 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -64.8973 -83.1052 protocols.moves.TrialCounter: ChunkTrialMover trials= 37; accepts= 0.8108; energy_drop/trial= -0.18014 protocols.moves.TrialCounter: WeightedFragment trials= 1963; accepts= 0.0937; energy_drop/trial= 0.01267 protocols.hybridization.FoldTreeHybridize: Stage 3 select score2... protocols.hybridization.FoldTreeHybridize: Stage 3 loop iteration 10 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -80.9996 -82.167 protocols.moves.TrialCounter: ChunkTrialMover trials= 26; accepts= 0.6538; energy_drop/trial= -0.36101 protocols.moves.TrialCounter: WeightedFragment trials= 1974; accepts= 0.1120; energy_drop/trial= 0.00533 protocols.hybridization.FoldTreeHybridize: =================================================================== Stage 4 Folding with score3 for 400 protocols.hybridization.FoldTreeHybridize: Stage 4 loop iteration 1: small fragments trials protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -38.2673 -43.0278 protocols.moves.TrialCounter: ChunkTrialMover trials= 11; accepts= 0.5455; energy_drop/trial= -0.64489 protocols.moves.TrialCounter: WeightedFragment trials= 389; accepts= 0.3470; energy_drop/trial= 0.02092 protocols.hybridization.FoldTreeHybridize: Stage 4 loop iteration 2: small fragments smooth trials protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -39.8526 -41.514 protocols.moves.TrialCounter: ChunkTrialMover trials= 4; accepts= 0.7500; energy_drop/trial= -0.18286 protocols.moves.TrialCounter: WeightedFragment trials= 396; accepts= 0.3662; energy_drop/trial= 0.00559 protocols.hybridization.FoldTreeHybridize: Stage 4 loop iteration 3: small fragments smooth trials protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -29.3244 -39.8808 protocols.moves.TrialCounter: ChunkTrialMover trials= 6; accepts= 0.1667; energy_drop/trial= 0.00000 protocols.moves.TrialCounter: WeightedFragment trials= 394; accepts= 0.3883; energy_drop/trial= 0.02679 protocols.hybridization.HybridizeProtocol: Realigning template domains to stage1 pose. core.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes. protocols.hybridization.CartesianHybridize: RUNNING FOR 4 MACROCYCLES protocols.hybridization.CartesianHybridize: total_res=102 prot_res=101 protocols.hybridization.CartesianHybridize: CYCLE 1 protocols.hybridization.CartesianHybridize: setting bonded weight = 0 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 0.1 core.energy_methods.CartesianBondedEnergy: Creating new peptide-bonded energy container (102) core.energy_methods.CartesianBondedEnergy: Creating new peptide-bonded energy container (102) protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -148.806 -148.806 protocols.moves.TrialCounter: fragNS_15+ trials= 43; accepts= 0.2558; energy_drop/trial= -0.65920 protocols.moves.TrialCounter: fragNS_5-14 trials= 24; accepts= 0.3750; energy_drop/trial= -0.93655 protocols.moves.TrialCounter: picker trials= 12; accepts= 0.3333; energy_drop/trial= -0.63081 protocols.moves.TrialCounter: picker_rand trials= 21; accepts= 0.1905; energy_drop/trial= 0.04709 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -140.326 -151.097 protocols.moves.TrialCounter: fragNS_15+ trials= 92; accepts= 0.2065; energy_drop/trial= -0.37734 protocols.moves.TrialCounter: fragNS_5-14 trials= 48; accepts= 0.3542; energy_drop/trial= -0.58969 protocols.moves.TrialCounter: picker trials= 26; accepts= 0.1923; energy_drop/trial= 0.06570 protocols.moves.TrialCounter: picker_rand trials= 34; accepts= 0.1471; energy_drop/trial= 0.36436 protocols.hybridization.CartesianHybridize: CYCLE 2 protocols.hybridization.CartesianHybridize: setting bonded weight = 0.0005 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 0.1 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -150.383 -150.383 protocols.moves.TrialCounter: frag_15+ trials= 47; accepts= 0.0213; energy_drop/trial= -0.14234 protocols.moves.TrialCounter: frag_5-14 trials= 20 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 16 NO ACCEPTS. protocols.moves.TrialCounter: picker_rand trials= 17; accepts= 0.0588; energy_drop/trial= 0.32484 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -150.383 -150.383 protocols.moves.TrialCounter: frag_15+ trials= 96; accepts= 0.0104; energy_drop/trial= -0.06969 protocols.moves.TrialCounter: frag_5-14 trials= 40 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 34 NO ACCEPTS. protocols.moves.TrialCounter: picker_rand trials= 30; accepts= 0.0333; energy_drop/trial= 0.18408 protocols.hybridization.CartesianHybridize: CYCLE 3 protocols.hybridization.CartesianHybridize: setting bonded weight = 0.005 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 0.1 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -148.051 -148.45 protocols.moves.TrialCounter: frag_15+ trials= 46 NO ACCEPTS. protocols.moves.TrialCounter: frag_5-14 trials= 23 NO ACCEPTS. protocols.moves.TrialCounter: picker trials= 12; accepts= 0.1667; energy_drop/trial= -0.30606 protocols.moves.TrialCounter: picker_rand trials= 19; accepts= 0.2105; energy_drop/trial= -0.53028 protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -144.516 -149.77 protocols.moves.TrialCounter: frag_15+ trials= 96 NO ACCEPTS. protocols.moves.TrialCounter: frag_5-14 trials= 48; accepts= 0.1458; energy_drop/trial= 0.06785 protocols.moves.TrialCounter: picker trials= 28; accepts= 0.1071; energy_drop/trial= -0.12124 protocols.moves.TrialCounter: picker_rand trials= 28; accepts= 0.1429; energy_drop/trial= -0.35983 protocols.hybridization.CartesianHybridize: CYCLE 4 protocols.hybridization.CartesianHybridize: setting bonded weight = 0.05 protocols.hybridization.CartesianHybridize: setting bonded angle weight = 0 protocols.hybridization.CartesianHybridize: setting bonded length weight = 0 protocols.hybridization.CartesianHybridize: setting bonded torsion weight = 0 protocols.hybridization.CartesianHybridize: setting cst weight = 0 protocols.hybridization.CartesianHybridize: setting vdw weight = 1 core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 5 EXCEEDED, BUT FUNC NOT CONVERGED! protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -172.754 -179.921 protocols.moves.TrialCounter: picker trials= 50; accepts= 0.2400; energy_drop/trial= 0.01199 protocols.moves.TrialCounter: picker_rand trials= 50; accepts= 0.3800; energy_drop/trial= -1.23881 protocols.hybridization.HybridizeProtocol: History : 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 protocols.hybridization.HybridizeProtocol: History : 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 core.optimization.LineMinimizer: Inaccurate G in step= 6.10352e-07 Deriv= -7.2378 Finite Diff= 175149 core.energy_methods.CartesianBondedEnergy: Creating new peptide-bonded energy container (102) protocols.relax.FastRelax: CMD: repeat 47379.6 0 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 47379.6 0 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 5247.37 0 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1400 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -405.318 0 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -380.703 0 0 0.02805 protocols.relax.FastRelax: CMD: min -754.741 0.938161 0.938161 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -754.741 0.938161 0.938161 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -591.449 0.938161 0.938161 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1356 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -606.068 0.938161 0.938161 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -595.736 0.938161 0.938161 0.154 protocols.relax.FastRelax: CMD: min -682.246 0.91519 0.91519 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -682.246 0.91519 0.91519 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -621.879 0.91519 0.91519 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1335 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -621.907 0.91519 0.91519 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -617.193 0.91519 0.91519 0.31955 protocols.relax.FastRelax: CMD: min -645.594 0.953556 0.953556 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -645.594 0.953556 0.953556 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -595.422 0.953556 0.953556 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1307 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -596.222 0.953556 0.953556 0.55 core.optimization.LineMinimizer: Inaccurate G in step= 3.8147e-06 Deriv= -0.29233 Finite Diff= -0.00927573 protocols.relax.FastRelax: CMD: min -652.165 1.07755 1.07755 0.55 protocols.relax.FastRelax: MRP: 0 -652.165 -652.165 1.07755 1.07755 protocols.relax.FastRelax: CMD: accept_to_best -652.165 1.07755 1.07755 0.55 protocols.relax.FastRelax: CMD: endrepeat -652.165 1.07755 1.07755 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -652.165 1.07755 1.07755 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -722.857 1.07755 1.07755 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1458 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -741.727 1.07755 1.07755 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -737.691 1.07755 1.07755 0.02805 protocols.relax.FastRelax: CMD: min -804.996 1.0517 1.0517 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -804.996 1.0517 1.0517 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -672.917 1.0517 1.0517 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1365 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -682.661 1.0517 1.0517 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -674.844 1.0517 1.0517 0.154 protocols.relax.FastRelax: CMD: min -749.444 1.08426 1.08426 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -749.444 1.08426 1.08426 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -701.797 1.08426 1.08426 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1363 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -701.902 1.08426 1.08426 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -698.172 1.08426 1.08426 0.31955 protocols.relax.FastRelax: CMD: min -708.035 1.11052 1.11052 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -708.035 1.11052 1.11052 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -658.333 1.11052 1.11052 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1323 rotamers at 102 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -656.586 1.11052 1.11052 0.55 core.optimization.LineMinimizer: Inaccurate G in step= 3.8147e-06 Deriv= -0.0755864 Finite Diff= 0.0573757 protocols.relax.FastRelax: CMD: min -690.613 1.21249 1.21249 0.55 protocols.relax.FastRelax: MRP: 1 -690.613 -690.613 1.21249 1.21249 protocols.relax.FastRelax: CMD: accept_to_best -690.613 1.21249 1.21249 0.55 protocols.relax.FastRelax: CMD: endrepeat -690.613 1.21249 1.21249 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax protocols.jd2.JobDistributor: S_2GWR__0002 reported success in 667 seconds AN INTERNAL ERROR HAS OCCURED. PLEASE SEE THE CONTENTS OF ROSETTA_CRASH.log FOR DETAILS.