X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40007.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40007.pdb;h=90f46ab32ac6eeb6b8fd8ce886eee772e3c7084f;hp=fb1b4636ca6dbe5a328b157bb16bba10214d6037;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@007.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@007.pdb index fb1b463..90f46ab 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 77051 m 211 ENERGY -1.29055E+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 3.984 1.634 0.362 0.000 +ATOM 3 CA LEU 2 5.516 -3.391 0.000 0.000 +ATOM 4 CB LEU 2 5.489 -5.158 -0.797 0.000 +ATOM 5 CA TYR 3 9.068 -3.962 1.221 0.000 +ATOM 6 CB TYR 3 9.339 -6.367 1.778 0.000 +ATOM 7 CA ILE 4 10.396 -4.483 -2.301 0.000 +ATOM 8 CB ILE 4 10.004 -6.077 -2.978 0.000 +ATOM 9 CA GLN 5 9.111 -1.081 -3.405 0.000 +ATOM 10 CB GLN 5 7.870 -0.432 -1.657 0.000 +ATOM 11 CA TRP 6 11.297 0.654 -0.827 0.000 +ATOM 12 CB TRP 6 10.697 3.115 -0.220 0.000 +ATOM 13 CA LEU 7 14.333 -1.428 -1.769 0.000 +ATOM 14 CB LEU 7 14.829 -3.243 -2.241 0.000 +ATOM 15 CA LYS 8 15.046 0.765 -4.789 0.000 +ATOM 16 CB LYS 8 15.426 -1.214 -6.337 0.000 +ATOM 17 CA ASP 9 13.054 3.975 -4.386 0.000 +ATOM 18 CB ASP 9 13.750 5.171 -5.388 0.000 +ATOM 19 CA GLY 10 9.648 4.285 -6.042 0.000 +ATOM 20 CA GLY 11 8.625 4.934 -9.644 0.000 +ATOM 21 CA PRO 12 8.726 8.160 -11.650 0.000 +ATOM 22 CB PRO 12 8.102 7.356 -12.529 0.000 +ATOM 23 CA SER 13 8.051 11.426 -9.828 0.000 +ATOM 24 CB SER 13 8.930 11.724 -9.149 0.000 +ATOM 25 CA SER 14 5.988 14.357 -11.088 0.000 +ATOM 26 CB SER 14 4.846 14.309 -11.216 0.000 +ATOM 27 CA GLY 15 6.683 18.045 -10.492 0.000 +ATOM 28 CA ARG 16 5.060 20.172 -7.794 0.000 +ATOM 29 CB ARG 16 5.799 20.477 -4.882 0.000 +ATOM 30 CA PRO 17 5.276 23.926 -7.247 0.000 +ATOM 31 CB PRO 17 3.980 23.703 -6.962 0.000 +ATOM 32 CA PRO 18 8.209 25.259 -5.232 0.000 +ATOM 33 CB PRO 18 8.320 26.119 -6.260 0.000 +ATOM 34 CA PRO 19 7.524 26.573 -1.733 0.000 +ATOM 35 CB PRO 19 7.496 25.249 -1.494 0.000 +ATOM 36 CA SER 20 9.107 29.885 -0.754 0.000 +ATOM 37 CB SER 20 9.445 30.559 -1.623 0.000 TER CONECT 1 3 2 CONECT 3 5 4