Branch: rosetta:commits 「revision: №20383」
Test: linux.clang.integration.release_debug_no_symbols
SubTest: cmaes_minimizer
SubTest files: 「file-system-view」
Daemon: hojo-1    
State: cmaes_minimizer

Brief Diff: Files /home/benchmark/working_dir/main:62103/cmaes_minimizer/log and /home/benchmark/working_dir/commits:20383/cmaes_minimizer/log differ Files /home/benchmark/working_dir/main:62103/cmaes_minimizer/min_pose.pdb and /home/benchmark/working_dir/commits:20383/cmaes_minimizer/min_pose.pdb differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62103/cmaes_minimizer/log /home/benchmark/working_dir/commits:20383/cmaes_minimizer/log 99c99 < core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 7.47e-04 < stopTolFun=1.00e-03 --- > core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 9.15e-04 < stopTolFun=1.00e-03 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62103/cmaes_minimizer/min_pose.pdb /home/benchmark/working_dir/commits:20383/cmaes_minimizer/min_pose.pdb 13c13 < ATOM 4 O ALA 2 35.363 12.776 -5.095 1.00 0.00 O --- > ATOM 4 O ALA 2 35.363 12.777 -5.095 1.00 0.00 O 22,112c22,112 < ATOM 13 N ALA 3 35.406 12.650 -7.426 1.00 0.00 N < ATOM 14 CA ALA 3 36.820 12.491 -7.105 1.00 0.00 C < ATOM 15 C ALA 3 37.372 13.739 -6.459 1.00 0.00 C < ATOM 16 O ALA 3 38.264 13.696 -5.604 1.00 0.00 O < ATOM 17 CB ALA 3 37.555 12.118 -8.404 1.00 0.00 C < ATOM 18 H ALA 3 34.961 12.656 -8.411 1.00 0.00 H < ATOM 19 HA ALA 3 36.927 11.668 -6.373 1.00 0.00 H < ATOM 20 1HB ALA 3 37.162 11.181 -8.843 1.00 0.00 H < ATOM 21 2HB ALA 3 37.456 12.903 -9.179 1.00 0.00 H < ATOM 22 3HB ALA 3 38.636 11.961 -8.236 1.00 0.00 H < ATOM 23 N ALA 4 36.830 15.046 -6.859 1.00 0.00 N < ATOM 24 CA ALA 4 37.613 16.049 -6.143 1.00 0.00 C < ATOM 25 C ALA 4 37.375 15.959 -4.654 1.00 0.00 C < ATOM 26 O ALA 4 38.265 16.203 -3.832 1.00 0.00 O < ATOM 27 CB ALA 4 37.248 17.427 -6.722 1.00 0.00 C < ATOM 28 H ALA 4 36.016 15.228 -7.544 1.00 0.00 H < ATOM 29 HA ALA 4 38.687 15.850 -6.317 1.00 0.00 H < ATOM 30 1HB ALA 4 37.464 17.487 -7.806 1.00 0.00 H < ATOM 31 2HB ALA 4 36.174 17.662 -6.595 1.00 0.00 H < ATOM 32 3HB ALA 4 37.819 18.241 -6.240 1.00 0.00 H < ATOM 33 N ALA 5 36.044 15.570 -4.168 1.00 0.00 N < ATOM 34 CA ALA 5 36.088 15.688 -2.714 1.00 0.00 C < ATOM 35 C ALA 5 36.956 14.610 -2.110 1.00 0.00 C < ATOM 36 O ALA 5 37.628 14.803 -1.089 1.00 0.00 O < ATOM 37 CB ALA 5 34.640 15.646 -2.198 1.00 0.00 C < ATOM 38 H ALA 5 35.201 15.257 -4.768 1.00 0.00 H < ATOM 39 HA ALA 5 36.544 16.661 -2.452 1.00 0.00 H < ATOM 40 1HB ALA 5 34.029 16.466 -2.621 1.00 0.00 H < ATOM 41 2HB ALA 5 34.132 14.697 -2.458 1.00 0.00 H < ATOM 42 3HB ALA 5 34.592 15.751 -1.099 1.00 0.00 H < ATOM 43 N ALA 6 37.004 13.290 -2.755 1.00 0.00 N < ATOM 44 CA ALA 6 37.847 12.451 -1.908 1.00 0.00 C < ATOM 45 C ALA 6 39.286 12.907 -1.957 1.00 0.00 C < ATOM 46 O ALA 6 40.026 12.850 -0.968 1.00 0.00 O < ATOM 47 CB ALA 6 37.668 10.994 -2.368 1.00 0.00 C < ATOM 48 H ALA 6 36.514 12.999 -3.672 1.00 0.00 H < ATOM 49 HA ALA 6 37.507 12.552 -0.860 1.00 0.00 H < ATOM 50 1HB ALA 6 36.614 10.665 -2.290 1.00 0.00 H < ATOM 51 2HB ALA 6 37.974 10.849 -3.423 1.00 0.00 H < ATOM 52 3HB ALA 6 38.265 10.294 -1.757 1.00 0.00 H < ATOM 53 N ALA 7 39.822 13.436 -3.219 1.00 0.00 N < ATOM 54 CA ALA 7 41.241 13.692 -2.985 1.00 0.00 C < ATOM 55 C ALA 7 41.432 14.816 -1.994 1.00 0.00 C < ATOM 56 O ALA 7 42.365 14.825 -1.184 1.00 0.00 O < ATOM 57 CB ALA 7 41.894 13.981 -4.348 1.00 0.00 C < ATOM 58 H ALA 7 39.278 13.602 -4.136 1.00 0.00 H < ATOM 59 HA ALA 7 41.696 12.786 -2.544 1.00 0.00 H < ATOM 60 1HB ALA 7 41.777 13.132 -5.048 1.00 0.00 H < ATOM 61 2HB ALA 7 41.453 14.869 -4.840 1.00 0.00 H < ATOM 62 3HB ALA 7 42.979 14.167 -4.253 1.00 0.00 H < ATOM 63 N ALA 8 40.476 15.933 -1.993 1.00 0.00 N < ATOM 64 CA ALA 8 40.970 16.892 -1.008 1.00 0.00 C < ATOM 65 C ALA 8 40.897 16.318 0.387 1.00 0.00 C < ATOM 66 O ALA 8 41.758 16.559 1.241 1.00 0.00 O < ATOM 67 CB ALA 8 40.150 18.184 -1.164 1.00 0.00 C < ATOM 68 H ALA 8 39.588 16.027 -2.600 1.00 0.00 H < ATOM 69 HA ALA 8 42.034 17.102 -1.221 1.00 0.00 H < ATOM 70 1HB ALA 8 40.245 18.610 -2.182 1.00 0.00 H < ATOM 71 2HB ALA 8 39.070 18.018 -0.984 1.00 0.00 H < ATOM 72 3HB ALA 8 40.481 18.969 -0.460 1.00 0.00 H < ATOM 73 N ALA 9 39.766 15.448 0.741 1.00 0.00 N < ATOM 74 CA ALA 9 39.879 15.193 2.175 1.00 0.00 C < ATOM 75 C ALA 9 40.922 14.139 2.455 1.00 0.00 C < ATOM 76 O ALA 9 41.337 13.914 3.599 1.00 0.00 O < ATOM 77 CB ALA 9 38.483 14.804 2.690 1.00 0.00 C < ATOM 78 H ALA 9 39.004 15.071 0.074 1.00 0.00 H < ATOM 79 HA ALA 9 40.209 16.124 2.674 1.00 0.00 H < ATOM 80 1HB ALA 9 37.740 15.604 2.509 1.00 0.00 H < ATOM 81 2HB ALA 9 38.099 13.888 2.201 1.00 0.00 H < ATOM 82 3HB ALA 9 38.485 14.612 3.779 1.00 0.00 H < ATOM 83 N ALA 10 41.462 13.355 1.335 1.00 0.00 N < ATOM 84 CA ALA 10 42.423 12.421 1.914 1.00 0.00 C < ATOM 85 C ALA 10 43.773 13.075 2.091 1.00 0.00 C < ATOM 86 O ALA 10 44.742 12.465 2.559 1.00 0.00 O < ATOM 87 CB ALA 10 42.477 11.182 1.005 1.00 0.00 C < ATOM 88 H ALA 10 41.200 13.451 0.291 1.00 0.00 H < ATOM 89 HA ALA 10 42.068 12.125 2.919 1.00 0.00 H < ATOM 90 1HB ALA 10 41.487 10.695 0.917 1.00 0.00 H < ATOM 91 2HB ALA 10 42.805 11.433 -0.023 1.00 0.00 H < ATOM 92 3HB ALA 10 43.174 10.417 1.391 1.00 0.00 H < ATOM 93 N ALA 11 43.941 14.481 1.696 1.00 0.00 N < ATOM 94 CA ALA 11 45.360 14.784 1.848 1.00 0.00 C < ATOM 95 C ALA 11 45.662 15.272 3.246 1.00 0.00 C < ATOM 96 O ALA 11 44.782 15.371 4.110 1.00 0.00 O < ATOM 97 OXT ALA 11 46.782 15.578 3.546 1.00 0.00 O < ATOM 98 CB ALA 11 45.738 15.808 0.765 1.00 0.00 C < ATOM 99 H ALA 11 43.166 15.156 1.359 1.00 0.00 H < ATOM 100 HA ALA 11 45.938 13.854 1.694 1.00 0.00 H < ATOM 101 1HB ALA 11 45.546 15.418 -0.253 1.00 0.00 H < ATOM 102 2HB ALA 11 45.166 16.750 0.863 1.00 0.00 H < ATOM 103 3HB ALA 11 46.811 16.073 0.806 1.00 0.00 H --- > ATOM 13 N ALA 3 35.405 12.648 -7.426 1.00 0.00 N > ATOM 14 CA ALA 3 36.820 12.489 -7.105 1.00 0.00 C > ATOM 15 C ALA 3 37.372 13.738 -6.461 1.00 0.00 C > ATOM 16 O ALA 3 38.264 13.696 -5.605 1.00 0.00 O > ATOM 17 CB ALA 3 37.555 12.115 -8.404 1.00 0.00 C > ATOM 18 H ALA 3 34.961 12.654 -8.411 1.00 0.00 H > ATOM 19 HA ALA 3 36.927 11.667 -6.372 1.00 0.00 H > ATOM 20 1HB ALA 3 37.162 11.177 -8.842 1.00 0.00 H > ATOM 21 2HB ALA 3 37.456 12.899 -9.180 1.00 0.00 H > ATOM 22 3HB ALA 3 38.636 11.958 -8.236 1.00 0.00 H > ATOM 23 N ALA 4 36.831 15.045 -6.862 1.00 0.00 N > ATOM 24 CA ALA 4 37.614 16.049 -6.147 1.00 0.00 C > ATOM 25 C ALA 4 37.376 15.960 -4.658 1.00 0.00 C > ATOM 26 O ALA 4 38.267 16.204 -3.836 1.00 0.00 O > ATOM 27 CB ALA 4 37.250 17.426 -6.728 1.00 0.00 C > ATOM 28 H ALA 4 36.017 15.226 -7.548 1.00 0.00 H > ATOM 29 HA ALA 4 38.688 15.849 -6.321 1.00 0.00 H > ATOM 30 1HB ALA 4 37.466 17.484 -7.811 1.00 0.00 H > ATOM 31 2HB ALA 4 36.176 17.661 -6.600 1.00 0.00 H > ATOM 32 3HB ALA 4 37.821 18.241 -6.246 1.00 0.00 H > ATOM 33 N ALA 5 36.044 15.572 -4.172 1.00 0.00 N > ATOM 34 CA ALA 5 36.089 15.691 -2.717 1.00 0.00 C > ATOM 35 C ALA 5 36.959 14.613 -2.115 1.00 0.00 C > ATOM 36 O ALA 5 37.632 14.808 -1.094 1.00 0.00 O > ATOM 37 CB ALA 5 34.641 15.646 -2.201 1.00 0.00 C > ATOM 38 H ALA 5 35.201 15.261 -4.771 1.00 0.00 H > ATOM 39 HA ALA 5 36.544 16.664 -2.456 1.00 0.00 H > ATOM 40 1HB ALA 5 34.029 16.465 -2.624 1.00 0.00 H > ATOM 41 2HB ALA 5 34.134 14.697 -2.460 1.00 0.00 H > ATOM 42 3HB ALA 5 34.593 15.751 -1.102 1.00 0.00 H > ATOM 43 N ALA 6 37.007 13.293 -2.758 1.00 0.00 N > ATOM 44 CA ALA 6 37.850 12.455 -1.911 1.00 0.00 C > ATOM 45 C ALA 6 39.289 12.913 -1.959 1.00 0.00 C > ATOM 46 O ALA 6 40.029 12.856 -0.971 1.00 0.00 O > ATOM 47 CB ALA 6 37.673 10.998 -2.371 1.00 0.00 C > ATOM 48 H ALA 6 36.516 13.001 -3.675 1.00 0.00 H > ATOM 49 HA ALA 6 37.510 12.555 -0.864 1.00 0.00 H > ATOM 50 1HB ALA 6 36.620 10.668 -2.293 1.00 0.00 H > ATOM 51 2HB ALA 6 37.979 10.853 -3.426 1.00 0.00 H > ATOM 52 3HB ALA 6 38.270 10.298 -1.761 1.00 0.00 H > ATOM 53 N ALA 7 39.825 13.442 -3.222 1.00 0.00 N > ATOM 54 CA ALA 7 41.244 13.699 -2.988 1.00 0.00 C > ATOM 55 C ALA 7 41.433 14.823 -1.997 1.00 0.00 C > ATOM 56 O ALA 7 42.367 14.833 -1.186 1.00 0.00 O > ATOM 57 CB ALA 7 41.897 13.989 -4.350 1.00 0.00 C > ATOM 58 H ALA 7 39.281 13.608 -4.139 1.00 0.00 H > ATOM 59 HA ALA 7 41.700 12.793 -2.546 1.00 0.00 H > ATOM 60 1HB ALA 7 41.781 13.139 -5.050 1.00 0.00 H > ATOM 61 2HB ALA 7 41.456 14.877 -4.843 1.00 0.00 H > ATOM 62 3HB ALA 7 42.981 14.176 -4.255 1.00 0.00 H > ATOM 63 N ALA 8 40.477 15.939 -1.996 1.00 0.00 N > ATOM 64 CA ALA 8 40.969 16.899 -1.011 1.00 0.00 C > ATOM 65 C ALA 8 40.897 16.325 0.385 1.00 0.00 C > ATOM 66 O ALA 8 41.758 16.567 1.238 1.00 0.00 O > ATOM 67 CB ALA 8 40.149 18.190 -1.167 1.00 0.00 C > ATOM 68 H ALA 8 39.589 16.033 -2.603 1.00 0.00 H > ATOM 69 HA ALA 8 42.034 17.110 -1.224 1.00 0.00 H > ATOM 70 1HB ALA 8 40.244 18.617 -2.185 1.00 0.00 H > ATOM 71 2HB ALA 8 39.069 18.024 -0.987 1.00 0.00 H > ATOM 72 3HB ALA 8 40.479 18.975 -0.463 1.00 0.00 H > ATOM 73 N ALA 9 39.767 15.454 0.738 1.00 0.00 N > ATOM 74 CA ALA 9 39.880 15.199 2.172 1.00 0.00 C > ATOM 75 C ALA 9 40.924 14.146 2.452 1.00 0.00 C > ATOM 76 O ALA 9 41.339 13.920 3.596 1.00 0.00 O > ATOM 77 CB ALA 9 38.485 14.809 2.688 1.00 0.00 C > ATOM 78 H ALA 9 39.005 15.076 0.071 1.00 0.00 H > ATOM 79 HA ALA 9 40.210 16.130 2.671 1.00 0.00 H > ATOM 80 1HB ALA 9 37.741 15.609 2.507 1.00 0.00 H > ATOM 81 2HB ALA 9 38.101 13.893 2.198 1.00 0.00 H > ATOM 82 3HB ALA 9 38.487 14.618 3.776 1.00 0.00 H > ATOM 83 N ALA 10 41.465 13.362 1.332 1.00 0.00 N > ATOM 84 CA ALA 10 42.427 12.429 1.911 1.00 0.00 C > ATOM 85 C ALA 10 43.775 13.084 2.089 1.00 0.00 C > ATOM 86 O ALA 10 44.745 12.474 2.558 1.00 0.00 O > ATOM 87 CB ALA 10 42.482 11.190 1.002 1.00 0.00 C > ATOM 88 H ALA 10 41.203 13.458 0.288 1.00 0.00 H > ATOM 89 HA ALA 10 42.071 12.133 2.916 1.00 0.00 H > ATOM 90 1HB ALA 10 41.492 10.702 0.914 1.00 0.00 H > ATOM 91 2HB ALA 10 42.810 11.441 -0.026 1.00 0.00 H > ATOM 92 3HB ALA 10 43.179 10.425 1.388 1.00 0.00 H > ATOM 93 N ALA 11 43.943 14.490 1.694 1.00 0.00 N > ATOM 94 CA ALA 11 45.362 14.793 1.847 1.00 0.00 C > ATOM 95 C ALA 11 45.662 15.283 3.244 1.00 0.00 C > ATOM 96 O ALA 11 44.781 15.383 4.107 1.00 0.00 O > ATOM 97 OXT ALA 11 46.782 15.590 3.545 1.00 0.00 O > ATOM 98 CB ALA 11 45.740 15.817 0.763 1.00 0.00 C > ATOM 99 H ALA 11 43.168 15.164 1.357 1.00 0.00 H > ATOM 100 HA ALA 11 45.941 13.864 1.694 1.00 0.00 H > ATOM 101 1HB ALA 11 45.549 15.426 -0.255 1.00 0.00 H > ATOM 102 2HB ALA 11 45.167 16.759 0.860 1.00 0.00 H > ATOM 103 3HB ALA 11 46.812 16.083 0.805 1.00 0.00 H 118,128c118,128 < pose -24.6927 4.77041 24.4071 0.01055 0 -2.66075 -10.1655 0 -5.28249 0 0 0 0 0.0864 0 -0.76544 0 13.2468 -3.47148 -4.51707 < ALA:NtermProteinFull_1 -2.02796 0.3366 1.43658 0.00166 0 -0.18237 -0.92027 0 0 0 0 0 0 -0.00098 0 0 0 1.32468 0 -0.03205 < ALA_2 -1.93948 0.45957 1.97939 0.00095 0 -0.20478 -1.15594 0 0 0 0 0 0 -0.03195 0 -0.19094 0 1.32468 -0.28982 -0.04833 < ALA_3 -2.40974 0.49291 2.29655 0.00095 0 -0.28337 -0.72593 0 0 0 0 0 0 0.00664 0 -0.16348 0 1.32468 -0.53391 0.0053 < ALA_4 -3.24869 0.48631 2.64716 0.00094 0 -0.34171 -0.78027 0 0 0 0 0 0 -0.03751 0 -0.0428 0 1.32468 -0.38235 -0.37423 < ALA_5 -3.34208 0.46828 3.38565 0.00095 0 -0.32687 -1.81803 0 0 0 0 0 0 -0.02061 0 -0.09475 0 1.32468 -0.29829 -0.72106 < ALA_6 -3.158 0.47599 3.18545 0.00095 0 -0.4078 -1.3852 0 0 0 0 0 0 -0.02831 0 -0.14049 0 1.32468 -0.3669 -0.49964 < ALA_7 -2.81697 0.50575 2.86849 0.00095 0 -0.32683 -1.40449 0 0 0 0 0 0 0.10651 0 -0.15662 0 1.32468 -0.4035 -0.30202 < ALA_8 -2.26038 0.56096 2.41268 0.00097 0 -0.22284 -0.73828 0 0 0 0 0 0 -0.02734 0 -0.04473 0 1.32468 -0.44848 0.55725 < ALA_9 -2.01298 0.59944 2.15748 0.00108 0 -0.17556 -1.1294 0 0 0 0 0 0 0.11994 0 0.06837 0 1.32468 -0.50005 0.453 < ALA:CtermProteinFull_10 -1.47636 0.38461 2.0377 0.00114 0 -0.18862 -0.10775 0 0 0 0 0 0 0 0 0 0 1.32468 -0.2482 1.7272 --- > pose -24.7007 4.77947 24.419 0.01055 0 -2.65539 -10.1672 0 -5.27944 0 0 0 0 0.08465 0 -0.77379 0 13.2468 -3.48104 -4.51703 > ALA:NtermProteinFull_1 -2.02822 0.33668 1.43648 0.00167 0 -0.1812 -0.92033 0 0 0 0 0 0 -0.00099 0 0 0 1.32468 0 -0.03123 > ALA_2 -1.94111 0.45974 1.98086 0.00095 0 -0.2042 -1.15456 0 0 0 0 0 0 -0.03222 0 -0.19109 0 1.32468 -0.28943 -0.04639 > ALA_3 -2.41136 0.49441 2.29971 0.00095 0 -0.28267 -0.72512 0 0 0 0 0 0 0.00462 0 -0.16483 0 1.32468 -0.53342 0.00697 > ALA_4 -3.25083 0.48864 2.65008 0.00094 0 -0.34123 -0.78074 0 0 0 0 0 0 -0.03663 0 -0.04675 0 1.32468 -0.38491 -0.37674 > ALA_5 -3.34502 0.46992 3.38837 0.00095 0 -0.3254 -1.81969 0 0 0 0 0 0 -0.01993 0 -0.09721 0 1.32468 -0.30275 -0.72609 > ALA_6 -3.1593 0.47698 3.18759 0.00095 0 -0.40716 -1.38562 0 0 0 0 0 0 -0.02811 0 -0.14065 0 1.32468 -0.36872 -0.49937 > ALA_7 -2.81619 0.50588 2.86885 0.00095 0 -0.32654 -1.40426 0 0 0 0 0 0 0.10638 0 -0.15708 0 1.32468 -0.404 -0.30134 > ALA_8 -2.2602 0.56119 2.41311 0.00097 0 -0.22256 -0.73908 0 0 0 0 0 0 -0.02735 0 -0.04439 0 1.32468 -0.44912 0.55725 > ALA_9 -2.01277 0.60031 2.15697 0.00108 0 -0.17525 -1.13025 0 0 0 0 0 0 0.11888 0 0.06822 0 1.32468 -0.50036 0.4515 > ALA:CtermProteinFull_10 -1.47569 0.38572 2.03703 0.00114 0 -0.18918 -0.10753 0 0 0 0 0 0 0 0 0 0 1.32468 -0.24834 1.72784 134c134 < TOTAL_SCORE: -4.51707 --- > TOTAL_SCORE: -4.51703 136,146c136,146 < TOTAL_WTD: fa_atr: -24.693 fa_rep: 4.770 fa_sol: 24.407 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.661 fa_elec: -10.166 pro_close: 0.000 hbond_sr_bb: -5.282 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.086 fa_dun: 0.000 p_aa_pp: -0.765 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.471 < RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.337 fa_sol: 1.437 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.182 fa_elec: -0.920 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: -0.001 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000 < RSD_WTD: 2 fa_atr: -1.939 fa_rep: 0.460 fa_sol: 1.979 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.205 fa_elec: -1.156 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: -0.032 fa_dun: 0.000 p_aa_pp: -0.191 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.290 < RSD_WTD: 3 fa_atr: -2.410 fa_rep: 0.493 fa_sol: 2.297 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.283 fa_elec: -0.726 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: 0.007 fa_dun: 0.000 p_aa_pp: -0.163 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.534 < RSD_WTD: 4 fa_atr: -3.249 fa_rep: 0.486 fa_sol: 2.647 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.342 fa_elec: -0.780 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: -0.038 fa_dun: 0.000 p_aa_pp: -0.043 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.382 < RSD_WTD: 5 fa_atr: -3.342 fa_rep: 0.468 fa_sol: 3.386 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.818 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: -0.021 fa_dun: 0.000 p_aa_pp: -0.095 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.298 < RSD_WTD: 6 fa_atr: -3.158 fa_rep: 0.476 fa_sol: 3.185 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.408 fa_elec: -1.385 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: -0.028 fa_dun: 0.000 p_aa_pp: -0.140 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.367 < RSD_WTD: 7 fa_atr: -2.817 fa_rep: 0.506 fa_sol: 2.868 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.404 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: 0.107 fa_dun: 0.000 p_aa_pp: -0.157 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.403 < RSD_WTD: 8 fa_atr: -2.260 fa_rep: 0.561 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.223 fa_elec: -0.738 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: -0.027 fa_dun: 0.000 p_aa_pp: -0.045 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.448 < RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.599 fa_sol: 2.157 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.176 fa_elec: -1.129 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: 0.120 fa_dun: 0.000 p_aa_pp: 0.068 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.500 < RSD_WTD: 10 fa_atr: -1.476 fa_rep: 0.385 fa_sol: 2.038 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.108 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: -0.248 --- > TOTAL_WTD: fa_atr: -24.701 fa_rep: 4.779 fa_sol: 24.419 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.655 fa_elec: -10.167 pro_close: 0.000 hbond_sr_bb: -5.279 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.085 fa_dun: 0.000 p_aa_pp: -0.774 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.481 > RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.337 fa_sol: 1.436 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.181 fa_elec: -0.920 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: -0.001 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000 > RSD_WTD: 2 fa_atr: -1.941 fa_rep: 0.460 fa_sol: 1.981 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.204 fa_elec: -1.155 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: -0.032 fa_dun: 0.000 p_aa_pp: -0.191 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.289 > RSD_WTD: 3 fa_atr: -2.411 fa_rep: 0.494 fa_sol: 2.300 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.283 fa_elec: -0.725 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: 0.005 fa_dun: 0.000 p_aa_pp: -0.165 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.533 > RSD_WTD: 4 fa_atr: -3.251 fa_rep: 0.489 fa_sol: 2.650 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.341 fa_elec: -0.781 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: -0.037 fa_dun: 0.000 p_aa_pp: -0.047 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.385 > RSD_WTD: 5 fa_atr: -3.345 fa_rep: 0.470 fa_sol: 3.388 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.325 fa_elec: -1.820 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: -0.020 fa_dun: 0.000 p_aa_pp: -0.097 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.303 > RSD_WTD: 6 fa_atr: -3.159 fa_rep: 0.477 fa_sol: 3.188 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.407 fa_elec: -1.386 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: -0.028 fa_dun: 0.000 p_aa_pp: -0.141 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.369 > RSD_WTD: 7 fa_atr: -2.816 fa_rep: 0.506 fa_sol: 2.869 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.404 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: 0.106 fa_dun: 0.000 p_aa_pp: -0.157 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.404 > RSD_WTD: 8 fa_atr: -2.260 fa_rep: 0.561 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.223 fa_elec: -0.739 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: -0.027 fa_dun: 0.000 p_aa_pp: -0.044 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.449 > RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.600 fa_sol: 2.157 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.175 fa_elec: -1.130 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: 0.119 fa_dun: 0.000 p_aa_pp: 0.068 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.500 > RSD_WTD: 10 fa_atr: -1.476 fa_rep: 0.386 fa_sol: 2.037 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.108 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: -0.248