X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40007.pdb;h=7825cf95cc6dbcea12e8598cac5cb4cbca47d82d;hb=dea2e7e9c8a159fba253863186d91d90930f17c6;hp=fb1b4636ca6dbe5a328b157bb16bba10214d6037;hpb=5ea13d68ca6fd3bf714767029b01e1ae988289d2;p=unres.git diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@007.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@007.pdb index fb1b463..7825cf9 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@007.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@007.pdb @@ -1,43 +1,41 @@ -REMARK GM 7 e 9951 m 31 ENERGY -1.27400E+02 -SHEET 1 B1 2 LEU 2 ILE 4 0 -SHEET 2 B1 2 LEU 7 ASP 9 -1 N ASP 9 O LEU 2 +REMARK GM 7 e 97338 m 256 ENERGY -1.72419E+02 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 3.981 1.672 0.089 0.000 -ATOM 3 CA LEU 2 5.594 -3.350 0.000 0.000 -ATOM 4 CB LEU 2 5.344 -3.542 -1.913 0.000 -ATOM 5 CA TYR 3 7.357 -4.821 3.028 0.000 -ATOM 6 CB TYR 3 8.007 -4.576 5.412 0.000 -ATOM 7 CA ILE 4 9.788 -7.738 3.170 0.000 -ATOM 8 CB ILE 4 10.231 -7.886 1.456 0.000 -ATOM 9 CA GLN 5 10.150 -9.489 6.523 0.000 -ATOM 10 CB GLN 5 12.313 -9.859 6.972 0.000 -ATOM 11 CA TRP 6 11.242 -6.234 8.152 0.000 -ATOM 12 CB TRP 6 11.957 -5.814 10.622 0.000 -ATOM 13 CA LEU 7 12.379 -4.785 4.828 0.000 -ATOM 14 CB LEU 7 13.840 -5.999 4.438 0.000 -ATOM 15 CA LYS 8 10.305 -2.345 2.783 0.000 -ATOM 16 CB LYS 8 9.421 -0.981 4.737 0.000 -ATOM 17 CA ASP 9 9.832 -2.285 -0.987 0.000 -ATOM 18 CB ASP 9 9.546 -3.920 -1.392 0.000 -ATOM 19 CA GLY 10 9.561 1.035 -2.816 0.000 -ATOM 20 CA GLY 11 6.721 3.551 -2.612 0.000 -ATOM 21 CA PRO 12 5.639 6.525 -4.716 0.000 -ATOM 22 CB PRO 12 4.614 6.458 -3.848 0.000 -ATOM 23 CA SER 13 8.277 9.069 -5.720 0.000 -ATOM 24 CB SER 13 8.549 8.968 -6.833 0.000 -ATOM 25 CA SER 14 7.917 12.852 -5.693 0.000 -ATOM 26 CB SER 14 7.701 13.469 -4.747 0.000 -ATOM 27 CA GLY 15 9.745 15.322 -7.929 0.000 -ATOM 28 CA ARG 16 9.804 19.097 -7.495 0.000 -ATOM 29 CB ARG 16 11.292 20.798 -5.492 0.000 -ATOM 30 CA PRO 17 11.865 21.703 -9.341 0.000 -ATOM 31 CB PRO 17 10.632 22.229 -9.453 0.000 -ATOM 32 CA PRO 18 15.107 22.859 -7.732 0.000 -ATOM 33 CB PRO 18 15.617 22.604 -8.950 0.000 -ATOM 34 CA PRO 19 15.231 26.384 -6.316 0.000 -ATOM 35 CB PRO 19 15.063 25.679 -5.183 0.000 -ATOM 36 CA SER 20 17.623 28.847 -7.943 0.000 -ATOM 37 CB SER 20 17.043 29.464 -8.721 0.000 +ATOM 2 CB ASN 1 4.181 1.478 0.711 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.815 -5.607 0.646 0.000 +ATOM 5 CA TYR 3 1.188 -4.144 -2.488 0.000 +ATOM 6 CB TYR 3 1.419 -2.323 -4.161 0.000 +ATOM 7 CA ILE 4 1.420 -7.005 -4.978 0.000 +ATOM 8 CB ILE 4 1.962 -6.131 -6.426 0.000 +ATOM 9 CA GLN 5 2.814 -10.467 -4.263 0.000 +ATOM 10 CB GLN 5 1.184 -11.812 -5.005 0.000 +ATOM 11 CA TRP 6 5.877 -9.768 -6.400 0.000 +ATOM 12 CB TRP 6 7.231 -9.467 -8.605 0.000 +ATOM 13 CA LEU 7 6.939 -6.880 -4.170 0.000 +ATOM 14 CB LEU 7 6.044 -5.164 -4.039 0.000 +ATOM 15 CA LYS 8 7.684 -9.242 -1.288 0.000 +ATOM 16 CB LYS 8 5.203 -9.710 -1.573 0.000 +ATOM 17 CA ASP 9 9.969 -11.411 -3.413 0.000 +ATOM 18 CB ASP 9 10.837 -12.285 -4.598 0.000 +ATOM 19 CA GLY 10 13.045 -9.318 -2.636 0.000 +ATOM 20 CA GLY 11 12.162 -6.554 -5.089 0.000 +ATOM 21 CA PRO 12 12.626 -2.783 -5.004 0.000 +ATOM 22 CB PRO 12 11.746 -2.730 -6.020 0.000 +ATOM 23 CA SER 13 10.812 -2.442 -1.683 0.000 +ATOM 24 CB SER 13 9.926 -3.175 -1.667 0.000 +ATOM 25 CA SER 14 12.288 -3.281 1.717 0.000 +ATOM 26 CB SER 14 12.087 -2.776 2.730 0.000 +ATOM 27 CA GLY 15 12.966 -6.811 2.949 0.000 +ATOM 28 CA ARG 16 10.466 -9.573 3.699 0.000 +ATOM 29 CB ARG 16 11.304 -10.987 1.165 0.000 +ATOM 30 CA PRO 17 6.830 -9.329 4.776 0.000 +ATOM 31 CB PRO 17 6.709 -9.905 3.566 0.000 +ATOM 32 CA PRO 18 6.091 -9.209 8.501 0.000 +ATOM 33 CB PRO 18 5.324 -8.154 8.172 0.000 +ATOM 34 CA PRO 19 4.447 -12.241 10.096 0.000 +ATOM 35 CB PRO 19 5.704 -12.390 10.550 0.000 +ATOM 36 CA SER 20 0.988 -11.790 11.602 0.000 +ATOM 37 CB SER 20 0.279 -12.695 11.560 0.000 TER CONECT 1 3 2 CONECT 3 5 4