X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40029.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40029.pdb;h=0b62602c25ef3e84cd5932e9960958d866b3a991;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@029.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@029.pdb new file mode 100644 index 0000000..0b62602 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@029.pdb @@ -0,0 +1,63 @@ +REMARK GM 29 e 2576904 m 10754 ENERGY -2.12617E+02 +HELIX 1 H1 TYR 3 ASP 9 1 6 +SHEET 1 B1 2 GLY 11 SER 13 0 +SHEET 2 B1 2 ARG 16 PRO 18 -1 N PRO 18 O GLY 11 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.357 0.448 0.458 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.455 -4.577 1.073 0.000 +ATOM 5 CA TYR 3 1.398 -4.127 -2.708 0.000 +ATOM 6 CB TYR 3 -0.630 -3.166 -3.773 0.000 +ATOM 7 CA ILE 4 2.512 -7.651 -3.595 0.000 +ATOM 8 CB ILE 4 4.080 -7.815 -2.778 0.000 +ATOM 9 CA GLN 5 0.628 -9.149 -0.654 0.000 +ATOM 10 CB GLN 5 1.155 -8.714 1.479 0.000 +ATOM 11 CA TRP 6 -2.389 -6.947 -1.353 0.000 +ATOM 12 CB TRP 6 -3.938 -4.870 -1.080 0.000 +ATOM 13 CA LEU 7 -2.487 -7.976 -5.010 0.000 +ATOM 14 CB LEU 7 -2.661 -6.530 -6.290 0.000 +ATOM 15 CA LYS 8 -2.158 -11.649 -4.092 0.000 +ATOM 16 CB LYS 8 -0.045 -11.275 -2.730 0.000 +ATOM 17 CA ASP 9 -5.408 -11.598 -2.123 0.000 +ATOM 18 CB ASP 9 -6.813 -11.512 -1.155 0.000 +ATOM 19 CA GLY 10 -7.531 -10.805 -5.174 0.000 +ATOM 20 CA GLY 11 -10.863 -12.252 -6.289 0.000 +ATOM 21 CA PRO 12 -11.580 -15.776 -7.516 0.000 +ATOM 22 CB PRO 12 -12.835 -15.414 -7.192 0.000 +ATOM 23 CA SER 13 -8.953 -16.612 -10.130 0.000 +ATOM 24 CB SER 13 -9.335 -16.974 -11.153 0.000 +ATOM 25 CA SER 14 -8.633 -12.957 -11.118 0.000 +ATOM 26 CB SER 14 -9.261 -12.310 -10.404 0.000 +ATOM 27 CA GLY 15 -5.547 -12.526 -8.944 0.000 +ATOM 28 CA ARG 16 -5.614 -15.326 -6.375 0.000 +ATOM 29 CB ARG 16 -4.911 -14.808 -3.484 0.000 +ATOM 30 CA PRO 17 -8.497 -16.562 -4.232 0.000 +ATOM 31 CB PRO 17 -7.751 -17.681 -4.267 0.000 +ATOM 32 CA PRO 18 -10.037 -14.182 -1.701 0.000 +ATOM 33 CB PRO 18 -11.138 -14.432 -2.432 0.000 +ATOM 34 CA PRO 19 -9.487 -14.927 1.985 0.000 +ATOM 35 CB PRO 19 -8.184 -14.721 1.720 0.000 +ATOM 36 CA SER 20 -13.077 -14.092 2.907 0.000 +ATOM 37 CB SER 20 -13.529 -13.157 2.415 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL