HEADER 25-JUN-20 XXXX EXPDTA THEORETICAL MODEL REMARK 220 REMARK 220 EXPERIMENTAL DETAILS REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING REMARK 220 DATE OF DATA COLLECTION : 25-JUN-20 REMARK 220 REMARK 220 REMARK: MODEL GENERATED BY ROSETTA REMARK 220 VERSION 2020.08+release.cb1caba SSBOND CYS A 1 CYS A 6 2.03 ATOM 1 N CYS A 1 -0.662 0.383 0.061 1.00 0.00 N ATOM 2 CA CYS A 1 0.771 0.354 0.326 1.00 0.00 C ATOM 3 C CYS A 1 1.335 1.762 0.461 1.00 0.00 C ATOM 4 O CYS A 1 1.286 2.554 -0.480 1.00 0.00 O ATOM 5 CB CYS A 1 1.510 -0.380 -0.794 1.00 0.00 C ATOM 6 SG CYS A 1 3.313 -0.295 -0.669 1.00 0.00 S ATOM 7 1H CYS A 1 -1.005 -0.553 -0.023 1.00 0.00 H ATOM 8 2H CYS A 1 -1.131 0.843 0.815 1.00 0.00 H ATOM 9 3H CYS A 1 -0.835 0.878 -0.790 1.00 0.00 H ATOM 10 HA CYS A 1 0.940 -0.180 1.261 1.00 0.00 H ATOM 11 1HB CYS A 1 1.221 -1.431 -0.793 1.00 0.00 H ATOM 12 2HB CYS A 1 1.218 0.038 -1.757 1.00 0.00 H ATOM 13 N ALA A 2 1.871 2.069 1.638 1.00 0.00 N ATOM 14 CA ALA A 2 2.570 3.330 1.856 1.00 0.00 C ATOM 15 C ALA A 2 3.813 3.429 0.981 1.00 0.00 C ATOM 16 O ALA A 2 4.479 2.428 0.716 1.00 0.00 O ATOM 17 CB ALA A 2 2.943 3.482 3.323 1.00 0.00 C ATOM 18 H ALA A 2 1.791 1.412 2.401 1.00 0.00 H ATOM 19 HA ALA A 2 1.899 4.142 1.576 1.00 0.00 H ATOM 20 1HB ALA A 2 3.465 4.428 3.470 1.00 0.00 H ATOM 21 2HB ALA A 2 2.039 3.467 3.932 1.00 0.00 H ATOM 22 3HB ALA A 2 3.593 2.660 3.620 1.00 0.00 H ATOM 23 N ALA A 3 4.121 4.642 0.534 1.00 0.00 N ATOM 24 CA ALA A 3 5.324 4.886 -0.252 1.00 0.00 C ATOM 25 C ALA A 3 6.576 4.495 0.523 1.00 0.00 C ATOM 26 O ALA A 3 7.577 4.083 -0.063 1.00 0.00 O ATOM 27 CB ALA A 3 5.396 6.348 -0.670 1.00 0.00 C ATOM 28 H ALA A 3 3.505 5.414 0.744 1.00 0.00 H ATOM 29 HA ALA A 3 5.277 4.265 -1.146 1.00 0.00 H ATOM 30 1HB ALA A 3 6.300 6.514 -1.256 1.00 0.00 H ATOM 31 2HB ALA A 3 4.522 6.597 -1.272 1.00 0.00 H ATOM 32 3HB ALA A 3 5.417 6.979 0.217 1.00 0.00 H ATOM 33 N ALA A 4 6.514 4.627 1.844 1.00 0.00 N ATOM 34 CA ALA A 4 7.684 4.424 2.690 1.00 0.00 C ATOM 35 C ALA A 4 7.950 2.941 2.915 1.00 0.00 C ATOM 36 O ALA A 4 7.873 2.451 4.041 1.00 0.00 O ATOM 37 CB ALA A 4 7.505 5.137 4.022 1.00 0.00 C ATOM 38 H ALA A 4 5.634 4.875 2.273 1.00 0.00 H ATOM 39 HA ALA A 4 8.549 4.845 2.178 1.00 0.00 H ATOM 40 1HB ALA A 4 8.386 4.976 4.643 1.00 0.00 H ATOM 41 2HB ALA A 4 7.374 6.205 3.848 1.00 0.00 H ATOM 42 3HB ALA A 4 6.626 4.742 4.530 1.00 0.00 H ATOM 43 N ALA A 5 8.264 2.231 1.837 1.00 0.00 N ATOM 44 CA ALA A 5 8.663 0.832 1.930 1.00 0.00 C ATOM 45 C ALA A 5 7.672 0.031 2.766 1.00 0.00 C ATOM 46 O ALA A 5 8.043 -0.578 3.770 1.00 0.00 O ATOM 47 CB ALA A 5 10.063 0.718 2.515 1.00 0.00 C ATOM 48 H ALA A 5 8.225 2.672 0.929 1.00 0.00 H ATOM 49 HA ALA A 5 8.666 0.413 0.924 1.00 0.00 H ATOM 50 1HB ALA A 5 10.346 -0.333 2.579 1.00 0.00 H ATOM 51 2HB ALA A 5 10.769 1.247 1.875 1.00 0.00 H ATOM 52 3HB ALA A 5 10.077 1.158 3.511 1.00 0.00 H ATOM 53 N CYS A 6 6.412 0.036 2.346 1.00 0.00 N ATOM 54 CA CYS A 6 5.366 -0.692 3.055 1.00 0.00 C ATOM 55 C CYS A 6 5.712 -2.170 3.182 1.00 0.00 C ATOM 56 O CYS A 6 6.441 -2.720 2.356 1.00 0.00 O ATOM 57 CB CYS A 6 4.026 -0.548 2.332 1.00 0.00 C ATOM 58 SG CYS A 6 3.889 -1.541 0.826 1.00 0.00 S ATOM 59 H CYS A 6 6.172 0.557 1.515 1.00 0.00 H ATOM 60 HA CYS A 6 5.268 -0.270 4.055 1.00 0.00 H ATOM 61 1HB CYS A 6 3.218 -0.839 3.002 1.00 0.00 H ATOM 62 2HB CYS A 6 3.868 0.496 2.063 1.00 0.00 H ATOM 63 N ALA A 7 5.186 -2.808 4.221 1.00 0.00 N ATOM 64 CA ALA A 7 5.384 -4.239 4.422 1.00 0.00 C ATOM 65 C ALA A 7 4.329 -5.051 3.681 1.00 0.00 C ATOM 66 O ALA A 7 4.364 -6.281 3.683 1.00 0.00 O ATOM 67 CB ALA A 7 5.362 -4.574 5.906 1.00 0.00 C ATOM 68 H ALA A 7 4.634 -2.290 4.889 1.00 0.00 H ATOM 69 HA ALA A 7 6.359 -4.506 4.014 1.00 0.00 H ATOM 70 1HB ALA A 7 5.512 -5.645 6.040 1.00 0.00 H ATOM 71 2HB ALA A 7 6.160 -4.030 6.413 1.00 0.00 H ATOM 72 3HB ALA A 7 4.401 -4.286 6.330 1.00 0.00 H ATOM 73 N ALA A 8 3.392 -4.354 3.047 1.00 0.00 N ATOM 74 CA ALA A 8 2.284 -5.008 2.362 1.00 0.00 C ATOM 75 C ALA A 8 2.782 -5.882 1.217 1.00 0.00 C ATOM 76 O ALA A 8 3.759 -5.547 0.548 1.00 0.00 O ATOM 77 CB ALA A 8 1.295 -3.973 1.846 1.00 0.00 C ATOM 78 H ALA A 8 3.449 -3.346 3.039 1.00 0.00 H ATOM 79 HA ALA A 8 1.776 -5.655 3.078 1.00 0.00 H ATOM 80 1HB ALA A 8 0.473 -4.477 1.337 1.00 0.00 H ATOM 81 2HB ALA A 8 0.903 -3.395 2.683 1.00 0.00 H ATOM 82 3HB ALA A 8 1.798 -3.306 1.148 1.00 0.00 H ATOM 83 N ALA A 9 2.103 -7.003 0.996 1.00 0.00 N ATOM 84 CA ALA A 9 2.444 -7.901 -0.100 1.00 0.00 C ATOM 85 C ALA A 9 1.288 -8.838 -0.424 1.00 0.00 C ATOM 86 O ALA A 9 0.499 -9.191 0.452 1.00 0.00 O ATOM 87 OXT ALA A 9 1.139 -9.242 -1.544 1.00 0.00 O ATOM 88 CB ALA A 9 3.694 -8.700 0.239 1.00 0.00 C ATOM 89 H ALA A 9 1.332 -7.239 1.604 1.00 0.00 H ATOM 90 HA ALA A 9 2.642 -7.296 -0.985 1.00 0.00 H ATOM 91 1HB ALA A 9 3.936 -9.367 -0.589 1.00 0.00 H ATOM 92 2HB ALA A 9 4.527 -8.018 0.411 1.00 0.00 H ATOM 93 3HB ALA A 9 3.516 -9.289 1.137 1.00 0.00 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE label fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro total weights 1 0.55 1 0.005 1 1 1 1.25 1 1 1 1 1.25 0.4 0.7 0.6 0.625 1 0.45 NA pose -16.7179 2.53089 10.0808 0.02204 0.09887 -0.45258 -0.31976 0 -0.95891 0 0 0 -1.04855 0.5939 1.36368 0.13017 0 15.7823 -2.09102 9.01395 CYS:NtermProteinFull:disulfide_1 -1.96203 0.06071 0.65366 0.00377 0.04301 -0.12307 0.02884 0 0 0 0 0 -0.52427 0.2714 0.45957 0 0 3.25479 0 2.16638 ALA_2 -2.76685 0.48356 1.61626 0.00129 0 -0.08199 0.05254 0 0 0 0 0 0 -0.02607 0 -0.12889 0 1.32468 -0.41594 0.05859 ALA_3 -1.15425 0.21489 1.07463 0.00136 0 0.07778 -0.57219 0 0 0 0 0 0 0.11559 0 -0.32158 0 1.32468 -0.75096 0.00994 ALA_4 -1.61867 0.33801 1.11461 0.00322 0 -0.12487 0.44922 0 0 0 0 0 0 0.34028 0 -0.10587 0 1.32468 -0.15 1.57062 ALA_5 -1.37522 0.32651 1.56144 0.00328 0 0.02452 -0.9619 0 0 0 0 0 0 -0.02247 0 0.22178 0 1.32468 0.51037 1.613 CYS:disulfide_6 -4.16879 0.64832 2.13091 0.00476 0.05585 -0.10445 0.44141 0 0 0 0 0 -0.52427 -0.01155 0.9041 0.46547 0 3.25479 0.19894 3.29549 ALA_7 -1.08162 0.04968 0.83223 0.00169 0 -0.00306 0.41684 0 0 0 0 0 0 -0.03394 0 0.12184 0 1.32468 -0.38177 1.24657 ALA_8 -2.09559 0.36884 0.73527 0.00129 0 -0.15838 0.01987 0 0 0 0 0 0 -0.03934 0 -0.12258 0 1.32468 -0.67851 -0.64446 ALA:Cterm_amidation:CtermProteinFull_9 -0.49491 0.04037 0.36182 0.00138 0 0.04093 -0.1944 0 0 0 0 0 0 0 0 0 0 1.32468 -0.42314 0.65672 #END_POSE_ENERGIES_TABLE 0 END SS: LLLLLLLLL SCORE_INFO: TOTAL_SCORE: 9.01395 WTS: fa_atr: 1 fa_rep: 0.55 fa_sol: 1 fa_intra_rep: 0.005 fa_intra_sol_xover4: 1 lk_ball_wtd: 1 fa_elec: 1 pro_close: 1.25 hbond_sr_bb: 1 hbond_lr_bb: 1 hbond_bb_sc: 1 hbond_sc: 1 dslf_fa13: 1.25 omega: 0.4 fa_dun: 0.7 p_aa_pp: 0.6 yhh_planarity: 0.625 ref: 1 rama_prepro: 0.45 TOTAL_WTD: fa_atr: -16.718 fa_rep: 2.531 fa_sol: 10.081 fa_intra_rep: 0.022 fa_intra_sol_xover4: 0.099 lk_ball_wtd: -0.453 fa_elec: -0.320 pro_close: 0.000 hbond_sr_bb: -0.959 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: -1.049 omega: 0.594 fa_dun: 1.364 p_aa_pp: 0.130 yhh_planarity: 0.000 ref: 15.782 rama_prepro: -2.091 RSD_WTD: 1 fa_atr: -1.962 fa_rep: 0.061 fa_sol: 0.654 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.043 lk_ball_wtd: -0.123 fa_elec: 0.029 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: -0.524 omega: 0.271 fa_dun: 0.460 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 3.255 rama_prepro: 0.000 RSD_WTD: 2 fa_atr: -2.767 fa_rep: 0.484 fa_sol: 1.616 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.082 fa_elec: 0.053 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.026 fa_dun: 0.000 p_aa_pp: -0.129 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.416 RSD_WTD: 3 fa_atr: -1.154 fa_rep: 0.215 fa_sol: 1.075 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.078 fa_elec: -0.572 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.116 fa_dun: 0.000 p_aa_pp: -0.322 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.751 RSD_WTD: 4 fa_atr: -1.619 fa_rep: 0.338 fa_sol: 1.115 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.125 fa_elec: 0.449 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.340 fa_dun: 0.000 p_aa_pp: -0.106 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.150 RSD_WTD: 5 fa_atr: -1.375 fa_rep: 0.327 fa_sol: 1.561 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.025 fa_elec: -0.962 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.022 fa_dun: 0.000 p_aa_pp: 0.222 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.510 RSD_WTD: 6 fa_atr: -4.169 fa_rep: 0.648 fa_sol: 2.131 fa_intra_rep: 0.005 fa_intra_sol_xover4: 0.056 lk_ball_wtd: -0.104 fa_elec: 0.441 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: -0.524 omega: -0.012 fa_dun: 0.904 p_aa_pp: 0.465 yhh_planarity: 0.000 ref: 3.255 rama_prepro: 0.199 RSD_WTD: 7 fa_atr: -1.082 fa_rep: 0.050 fa_sol: 0.832 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.003 fa_elec: 0.417 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.034 fa_dun: 0.000 p_aa_pp: 0.122 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.382 RSD_WTD: 8 fa_atr: -2.096 fa_rep: 0.369 fa_sol: 0.735 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.158 fa_elec: 0.020 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.039 fa_dun: 0.000 p_aa_pp: -0.123 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.679 RSD_WTD: 9 fa_atr: -0.495 fa_rep: 0.040 fa_sol: 0.362 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.041 fa_elec: -0.194 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.423 ScoreFunction::show(): weights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: EnergyMethodOptions::show: mhc_epitope_setup_files: EnergyMethodOptions::show: netcharge_setup_files: EnergyMethodOptions::show: aspartimide_penalty_value: 25 EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 1.32468 3.25479 -2.14574 -2.72453 1.21829 0.79816 -0.30065 2.30374 -0.71458 1.66147 1.65735 -1.34026 -1.64321 -1.45095 -0.09474 -0.28969 1.15175 2.64269 2.26099 0.58223 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid EnergyMethodOptions::show: covalent_labeling_input: EnergyMethodOptions::show: covalent_labeling_fa_input: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false EnergyMethodOptions::show: exclude_monomer_fa_elec: false EnergyMethodOptions::show: elec_max_dis: 5.5 EnergyMethodOptions::show: elec_min_dis: 1.6 EnergyMethodOptions::show: elec_die: 10 EnergyMethodOptions::show: elec_no_dis_dep_die: false EnergyMethodOptions::show: elec_sigmoidal_die: true EnergyMethodOptions::show: elec_sigmoidal_D: 80 EnergyMethodOptions::show: elec_sigmoidal_D0: 6 EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 EnergyMethodOptions::show: smooth_fa_elec: true EnergyMethodOptions::show: grpelec_fade_type: false EnergyMethodOptions::show: grpelec_fade_param1: 1 EnergyMethodOptions::show: grpelec_fade_param2: 1 EnergyMethodOptions::show: grpelec_fade_hbond: 0 EnergyMethodOptions::show: grp_cpfxn: 1 EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat EnergyMethodOptions::show: grpelec_context_dependent: 0 EnergyMethodOptions::show: use_polarization: true EnergyMethodOptions::show: use_gen_kirkwood: true EnergyMethodOptions::show: protein_dielectric: 1 EnergyMethodOptions::show: water_dielectric: 78.3 EnergyMethodOptions::show: exclude_DNA_DNA: true EnergyMethodOptions::show: exclude_intra_res_protein: false EnergyMethodOptions::show: count_pair_hybrid: false EnergyMethodOptions::show: count_pair_full: false EnergyMethodOptions::show: put_intra_into_total: false EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true EnergyMethodOptions::show: eval_intrares_elec_ST_only: false EnergyMethodOptions::show: envsmooth_zero_negatives: false EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 EnergyMethodOptions::show: pb_bound_tag: bound EnergyMethodOptions::show: pb_unbound_tag: unbound EnergyMethodOptions::show: arg_cation_pi_his_can_be_pi: 1 EnergyMethodOptions::show: ordered_wat_penalty: 1.221 EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 EnergyMethodOptions::show: nmer_ref_seq_length_: 9 EnergyMethodOptions::show: nmer_svm_term_length_: 3 EnergyMethodOptions::show: nmer_svm_pssm_feat_: 1 EnergyMethodOptions::show: nmer_svm_scorecut_defined_: 0 EnergyMethodOptions::show: nmer_svm_scorecut_: 0 EnergyMethodOptions::show: nmer_svm_avg_rank_as_energy_: 0 EnergyMethodOptions::show: nmer_svm_aa_matrix_defined_: 0 EnergyMethodOptions::show: nmer_svm_aa_matrix_: EnergyMethodOptions::show: nmer_svm_list_defined_: 0 EnergyMethodOptions::show: nmer_svm_list_: EnergyMethodOptions::show: nmer_svm_defined_: 0 EnergyMethodOptions::show: nmer_svm_: EnergyMethodOptions::show: nmer_svm_rank_list_defined_: 0 EnergyMethodOptions::show: nmer_svm_rank_list_: EnergyMethodOptions::show: nmer_svm_rank_defined_: 0 EnergyMethodOptions::show: nmer_svm_rank_: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" EnergyMethodOptions::show: hbnet_max_network_size_: 0 EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 EnergyMethodOptions::show: approximate_buried_unsat_penalty_natural_corrections1_:0 EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_bonus_cross_chain_:0 EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_bonus_ser_to_helix_bb_:0 EnergyMethodOptions::show: dump_trajectory_prefix_: traj EnergyMethodOptions::show: dump_trajectory_gz_: FALSE EnergyMethodOptions::show: dump_trajectory_stride_: 1 EnergyMethodOptions::show: bond_angle_central_atoms_to_score: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none HBondOptions::show: hb_max_energy: 0 HBondOptions::show: exclude_DNA_DNA: true HBondOptions::show: exclude_intra_res_protein_: false HBondOptions::show: exclude_intra_res_RNA_: false HBondOptions::show: put_intra_into_total_: false HBondOptions::show: exclude_self_hbonds: true HBondOptions::show: use_hb_env_dep: false HBondOptions::show: use_hb_env_dep_DNA: true HBondOptions::show: smooth_hb_env_dep: true HBondOptions::show: bb_donor_acceptor_check: true HBondOptions::show: decompose_bb_hb_into_pair_energies: false HBondOptions::show: params_database_tag_: ref2015_params HBondOptions::show: use_sp2_chi_penalty_: true HBondOptions::show: sp2_BAH180_rise_: 0.75 HBondOptions::show: sp2_outer_width_: 0.357 HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true HBondOptions::show: fade_energy_: 1 HBondOptions::show: exclude_ether_oxygens_: 0 HBondOptions::show: Mbhbond: false HbondOptions::show: mphbond: false HBondOptions::show: hbond_energy_shift: 0 HBondOptions::show: water_hybrid_sf: false RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat FreeDOF_Options::show: free_suite_bonus: -1 FreeDOF_Options::show: free_2HOprime_bonus: -0.5 FreeDOF_Options::show: free_sugar_bonus: -1 FreeDOF_Options::show: pack_phosphate_penalty: 0.25 FreeDOF_Options::show: free_side_chain_bonus: -0.5