------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1283.243 -1026.594 fa_rep 0.440 224.626 98.835 fa_sol 0.650 649.796 422.367 fa_intra_rep 0.004 339.773 1.359 pro_close 1.000 0.342 0.342 fa_pair 0.490 -23.050 -11.294 hbond_sr_bb 0.292 -83.970 -24.561 hbond_lr_bb 1.170 -9.540 -11.162 hbond_bb_sc 1.170 -8.339 -9.757 hbond_sc 1.100 -7.188 -7.906 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.467 0.467 dslf_ss_dih 1.000 0.756 0.756 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.752 9.752 rama 0.200 -101.852 -20.370 omega 0.500 11.920 5.960 fa_dun 0.560 261.884 146.655 p_aa_pp 0.160 -26.682 -4.269 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -464.848 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1256.067 -1004.853 fa_rep 0.440 145.984 64.233 fa_sol 0.650 642.677 417.740 fa_intra_rep 0.004 340.753 1.363 pro_close 1.000 0.406 0.406 fa_pair 0.490 -22.471 -11.011 hbond_sr_bb 0.292 -83.237 -24.347 hbond_lr_bb 1.170 -9.262 -10.837 hbond_bb_sc 1.170 -8.326 -9.742 hbond_sc 1.100 -6.930 -7.623 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.454 0.454 dslf_ss_dih 1.000 0.717 0.717 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.359 6.359 rama 0.200 -102.684 -20.537 omega 0.500 13.692 6.846 fa_dun 0.560 270.188 151.305 p_aa_pp 0.160 -26.666 -4.267 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -479.220 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1286.156 -1028.925 fa_rep 0.440 226.369 99.602 fa_sol 0.650 649.237 422.004 fa_intra_rep 0.004 343.063 1.372 pro_close 1.000 0.339 0.339 fa_pair 0.490 -23.231 -11.383 hbond_sr_bb 0.292 -83.629 -24.461 hbond_lr_bb 1.170 -9.626 -11.263 hbond_bb_sc 1.170 -8.334 -9.751 hbond_sc 1.100 -7.211 -7.932 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.471 0.471 dslf_ss_dih 1.000 0.755 0.755 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.952 9.952 rama 0.200 -102.428 -20.486 omega 0.500 11.670 5.835 fa_dun 0.560 265.348 148.595 p_aa_pp 0.160 -26.369 -4.219 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -464.921 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1258.846 -1007.077 fa_rep 0.440 146.006 64.243 fa_sol 0.650 642.499 417.624 fa_intra_rep 0.004 344.347 1.377 pro_close 1.000 0.408 0.408 fa_pair 0.490 -22.621 -11.084 hbond_sr_bb 0.292 -82.907 -24.250 hbond_lr_bb 1.170 -9.354 -10.944 hbond_bb_sc 1.170 -8.169 -9.558 hbond_sc 1.100 -6.954 -7.649 dslf_ss_dst 1.000 -7.424 -7.424 dslf_cs_ang 1.000 0.459 0.459 dslf_ss_dih 1.000 0.713 0.713 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.667 6.667 rama 0.200 -102.944 -20.589 omega 0.500 13.773 6.886 fa_dun 0.560 273.348 153.075 p_aa_pp 0.160 -25.968 -4.155 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -479.274 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1287.337 -1029.870 fa_rep 0.440 226.672 99.736 fa_sol 0.650 650.925 423.102 fa_intra_rep 0.004 342.267 1.369 pro_close 1.000 0.337 0.337 fa_pair 0.490 -23.632 -11.579 hbond_sr_bb 0.292 -83.582 -24.448 hbond_lr_bb 1.170 -9.623 -11.259 hbond_bb_sc 1.170 -8.337 -9.754 hbond_sc 1.100 -7.231 -7.954 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.468 0.468 dslf_ss_dih 1.000 0.759 0.759 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.958 9.958 rama 0.200 -102.730 -20.546 omega 0.500 11.803 5.901 fa_dun 0.560 265.011 148.406 p_aa_pp 0.160 -26.494 -4.239 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -465.039 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1259.178 -1007.342 fa_rep 0.440 145.509 64.024 fa_sol 0.650 643.613 418.348 fa_intra_rep 0.004 343.237 1.373 pro_close 1.000 0.406 0.406 fa_pair 0.490 -23.260 -11.398 hbond_sr_bb 0.292 -82.750 -24.204 hbond_lr_bb 1.170 -9.362 -10.953 hbond_bb_sc 1.170 -8.311 -9.724 hbond_sc 1.100 -6.966 -7.663 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.452 0.452 dslf_ss_dih 1.000 0.717 0.717 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.647 6.647 rama 0.200 -103.867 -20.773 omega 0.500 13.690 6.845 fa_dun 0.560 273.126 152.951 p_aa_pp 0.160 -26.400 -4.224 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -479.945 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1285.708 -1028.567 fa_rep 0.440 226.121 99.493 fa_sol 0.650 649.816 422.381 fa_intra_rep 0.004 345.168 1.381 pro_close 1.000 0.348 0.348 fa_pair 0.490 -22.737 -11.141 hbond_sr_bb 0.292 -83.791 -24.509 hbond_lr_bb 1.170 -9.693 -11.341 hbond_bb_sc 1.170 -8.329 -9.745 hbond_sc 1.100 -7.185 -7.903 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.464 0.464 dslf_ss_dih 1.000 0.754 0.754 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.897 9.897 rama 0.200 -102.348 -20.470 omega 0.500 11.614 5.807 fa_dun 0.560 266.606 149.300 p_aa_pp 0.160 -26.119 -4.179 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -463.457 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1258.360 -1006.688 fa_rep 0.440 145.228 63.900 fa_sol 0.650 643.477 418.260 fa_intra_rep 0.004 346.111 1.384 pro_close 1.000 0.405 0.405 fa_pair 0.490 -22.077 -10.818 hbond_sr_bb 0.292 -83.121 -24.313 hbond_lr_bb 1.170 -9.443 -11.048 hbond_bb_sc 1.170 -8.187 -9.578 hbond_sc 1.100 -6.949 -7.644 dslf_ss_dst 1.000 -7.429 -7.429 dslf_cs_ang 1.000 0.454 0.454 dslf_ss_dih 1.000 0.724 0.724 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.607 6.607 rama 0.200 -103.188 -20.638 omega 0.500 13.489 6.745 fa_dun 0.560 274.612 153.783 p_aa_pp 0.160 -25.822 -4.132 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -478.022 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1286.177 -1028.942 fa_rep 0.440 226.632 99.718 fa_sol 0.650 650.053 422.535 fa_intra_rep 0.004 344.495 1.378 pro_close 1.000 0.340 0.340 fa_pair 0.490 -23.169 -11.353 hbond_sr_bb 0.292 -83.787 -24.508 hbond_lr_bb 1.170 -9.617 -11.252 hbond_bb_sc 1.170 -8.331 -9.748 hbond_sc 1.100 -7.197 -7.916 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.465 0.465 dslf_ss_dih 1.000 0.759 0.759 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.927 9.927 rama 0.200 -102.490 -20.498 omega 0.500 11.655 5.828 fa_dun 0.560 265.400 148.624 p_aa_pp 0.160 -26.319 -4.211 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -464.281 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1258.611 -1006.889 fa_rep 0.440 145.713 64.114 fa_sol 0.650 643.307 418.150 fa_intra_rep 0.004 345.503 1.382 pro_close 1.000 0.405 0.405 fa_pair 0.490 -22.524 -11.037 hbond_sr_bb 0.292 -83.097 -24.306 hbond_lr_bb 1.170 -9.335 -10.922 hbond_bb_sc 1.170 -8.201 -9.595 hbond_sc 1.100 -6.946 -7.641 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.457 0.457 dslf_ss_dih 1.000 0.713 0.713 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.577 6.577 rama 0.200 -103.207 -20.641 omega 0.500 13.632 6.816 fa_dun 0.560 273.482 153.150 p_aa_pp 0.160 -25.986 -4.158 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -478.851 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1286.156 -1028.925 fa_rep 0.440 226.369 99.602 fa_sol 0.650 649.237 422.004 fa_intra_rep 0.004 343.063 1.372 pro_close 1.000 0.339 0.339 fa_pair 0.490 -23.231 -11.383 hbond_sr_bb 0.292 -83.629 -24.461 hbond_lr_bb 1.170 -9.626 -11.263 hbond_bb_sc 1.170 -8.334 -9.751 hbond_sc 1.100 -7.211 -7.932 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.471 0.471 dslf_ss_dih 1.000 0.755 0.755 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.952 9.952 rama 0.200 -102.428 -20.486 omega 0.500 11.670 5.835 fa_dun 0.560 265.348 148.595 p_aa_pp 0.160 -26.369 -4.219 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -464.921 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1258.846 -1007.077 fa_rep 0.440 146.006 64.243 fa_sol 0.650 642.499 417.624 fa_intra_rep 0.004 344.347 1.377 pro_close 1.000 0.408 0.408 fa_pair 0.490 -22.621 -11.084 hbond_sr_bb 0.292 -82.907 -24.250 hbond_lr_bb 1.170 -9.354 -10.944 hbond_bb_sc 1.170 -8.169 -9.558 hbond_sc 1.100 -6.954 -7.649 dslf_ss_dst 1.000 -7.424 -7.424 dslf_cs_ang 1.000 0.459 0.459 dslf_ss_dih 1.000 0.713 0.713 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.667 6.667 rama 0.200 -102.944 -20.589 omega 0.500 13.773 6.886 fa_dun 0.560 273.348 153.075 p_aa_pp 0.160 -25.968 -4.155 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -479.274 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1288.270 -1030.616 fa_rep 0.440 231.301 101.772 fa_sol 0.650 652.965 424.427 fa_intra_rep 0.004 342.745 1.371 pro_close 1.000 0.339 0.339 fa_pair 0.490 -22.977 -11.259 hbond_sr_bb 0.292 -83.260 -24.353 hbond_lr_bb 1.170 -9.626 -11.262 hbond_bb_sc 1.170 -9.570 -11.196 hbond_sc 1.100 -6.057 -6.663 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.462 0.462 dslf_ss_dih 1.000 0.712 0.712 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.863 9.863 rama 0.200 -102.441 -20.488 omega 0.500 11.844 5.922 fa_dun 0.560 264.427 148.079 p_aa_pp 0.160 -25.729 -4.117 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -462.434 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1260.284 -1008.227 fa_rep 0.440 146.866 64.621 fa_sol 0.650 645.438 419.535 fa_intra_rep 0.004 344.225 1.377 pro_close 1.000 0.407 0.407 fa_pair 0.490 -22.143 -10.850 hbond_sr_bb 0.292 -81.873 -23.948 hbond_lr_bb 1.170 -9.330 -10.916 hbond_bb_sc 1.170 -9.499 -11.114 hbond_sc 1.100 -5.924 -6.517 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.463 0.463 dslf_ss_dih 1.000 0.671 0.671 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.950 6.950 rama 0.200 -103.565 -20.713 omega 0.500 14.515 7.257 fa_dun 0.560 272.774 152.753 p_aa_pp 0.160 -25.663 -4.106 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -477.782 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1284.736 -1027.789 fa_rep 0.440 227.112 99.929 fa_sol 0.650 647.125 420.631 fa_intra_rep 0.004 341.282 1.365 pro_close 1.000 0.337 0.337 fa_pair 0.490 -23.231 -11.383 hbond_sr_bb 0.292 -83.764 -24.501 hbond_lr_bb 1.170 -9.616 -11.251 hbond_bb_sc 1.170 -8.289 -9.698 hbond_sc 1.100 -7.117 -7.829 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.466 0.466 dslf_ss_dih 1.000 0.732 0.732 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.961 9.961 rama 0.200 -102.047 -20.409 omega 0.500 11.113 5.556 fa_dun 0.560 266.212 149.079 p_aa_pp 0.160 -26.246 -4.199 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -464.430 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1256.953 -1005.562 fa_rep 0.440 145.718 64.116 fa_sol 0.650 639.892 415.930 fa_intra_rep 0.004 342.515 1.370 pro_close 1.000 0.406 0.406 fa_pair 0.490 -22.533 -11.041 hbond_sr_bb 0.292 -83.019 -24.283 hbond_lr_bb 1.170 -9.351 -10.940 hbond_bb_sc 1.170 -8.242 -9.643 hbond_sc 1.100 -7.017 -7.719 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.460 0.460 dslf_ss_dih 1.000 0.694 0.694 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.902 6.902 rama 0.200 -103.329 -20.666 omega 0.500 13.328 6.664 fa_dun 0.560 274.439 153.686 p_aa_pp 0.160 -26.147 -4.184 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -479.237 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1284.210 -1027.368 fa_rep 0.440 227.426 100.067 fa_sol 0.650 645.609 419.646 fa_intra_rep 0.004 339.184 1.357 pro_close 1.000 0.339 0.339 fa_pair 0.490 -23.548 -11.538 hbond_sr_bb 0.292 -83.776 -24.504 hbond_lr_bb 1.170 -9.560 -11.186 hbond_bb_sc 1.170 -8.377 -9.802 hbond_sc 1.100 -5.885 -6.473 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.460 0.460 dslf_ss_dih 1.000 0.723 0.723 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.950 9.950 rama 0.200 -102.719 -20.544 omega 0.500 10.849 5.425 fa_dun 0.560 265.800 148.848 p_aa_pp 0.160 -26.044 -4.167 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -464.196 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1256.252 -1005.001 fa_rep 0.440 145.920 64.205 fa_sol 0.650 638.436 414.983 fa_intra_rep 0.004 340.572 1.362 pro_close 1.000 0.400 0.400 fa_pair 0.490 -22.885 -11.213 hbond_sr_bb 0.292 -83.050 -24.292 hbond_lr_bb 1.170 -9.352 -10.941 hbond_bb_sc 1.170 -8.339 -9.756 hbond_sc 1.100 -5.870 -6.457 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.441 0.441 dslf_ss_dih 1.000 0.670 0.670 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.951 6.951 rama 0.200 -103.777 -20.755 omega 0.500 12.250 6.125 fa_dun 0.560 274.564 153.756 p_aa_pp 0.160 -25.668 -4.107 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -479.057 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1283.243 -1026.594 fa_rep 0.440 224.626 98.835 fa_sol 0.650 649.796 422.367 fa_intra_rep 0.004 339.773 1.359 pro_close 1.000 0.342 0.342 fa_pair 0.490 -23.050 -11.294 hbond_sr_bb 0.292 -83.970 -24.561 hbond_lr_bb 1.170 -9.540 -11.162 hbond_bb_sc 1.170 -8.339 -9.757 hbond_sc 1.100 -7.188 -7.906 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.467 0.467 dslf_ss_dih 1.000 0.756 0.756 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 9.752 9.752 rama 0.200 -101.852 -20.370 omega 0.500 11.920 5.960 fa_dun 0.560 261.884 146.655 p_aa_pp 0.160 -26.682 -4.269 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -464.848 ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ fa_atr 0.800 -1256.067 -1004.853 fa_rep 0.440 145.984 64.233 fa_sol 0.650 642.677 417.740 fa_intra_rep 0.004 340.753 1.363 pro_close 1.000 0.406 0.406 fa_pair 0.490 -22.471 -11.011 hbond_sr_bb 0.292 -83.237 -24.347 hbond_lr_bb 1.170 -9.262 -10.837 hbond_bb_sc 1.170 -8.326 -9.742 hbond_sc 1.100 -6.930 -7.623 dslf_ss_dst 1.000 -7.430 -7.430 dslf_cs_ang 1.000 0.454 0.454 dslf_ss_dih 1.000 0.717 0.717 dslf_ca_dih 1.000 0.143 0.143 atom_pair_constraint 1.000 6.359 6.359 rama 0.200 -102.684 -20.537 omega 0.500 13.692 6.846 fa_dun 0.560 270.188 151.305 p_aa_pp 0.160 -26.666 -4.267 ref 1.000 -28.140 -28.140 --------------------------------------------------- Total weighted score: -479.220 ********************************************************************************************************** The SCRATCHes have been SUCCESSFULLY cleaned...