X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40031.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40031.pdb;h=968fd471188512cd8cb60edbee73af7b9a6ec974;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@031.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@031.pdb new file mode 100644 index 0000000..968fd47 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@031.pdb @@ -0,0 +1,63 @@ +REMARK GM 31 e 2759003 m 11572 ENERGY -2.12857E+02 +HELIX 1 H1 TYR 3 GLY 10 1 7 +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 4.378 0.213 1.567 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.275 -4.662 1.217 0.000 +ATOM 5 CA TYR 3 1.648 -4.111 -2.934 0.000 +ATOM 6 CB TYR 3 -0.225 -3.078 -4.198 0.000 +ATOM 7 CA ILE 4 2.804 -7.650 -3.695 0.000 +ATOM 8 CB ILE 4 4.254 -7.914 -2.703 0.000 +ATOM 9 CA GLN 5 0.721 -9.097 -0.866 0.000 +ATOM 10 CB GLN 5 2.106 -9.576 0.828 0.000 +ATOM 11 CA TRP 6 -2.228 -6.887 -1.792 0.000 +ATOM 12 CB TRP 6 -3.352 -4.541 -1.937 0.000 +ATOM 13 CA LEU 7 -1.994 -7.873 -5.454 0.000 +ATOM 14 CB LEU 7 -2.202 -6.443 -6.748 0.000 +ATOM 15 CA LYS 8 -1.381 -11.510 -4.541 0.000 +ATOM 16 CB LYS 8 -1.042 -11.732 -2.033 0.000 +ATOM 17 CA ASP 9 -4.647 -11.705 -2.607 0.000 +ATOM 18 CB ASP 9 -6.082 -11.761 -1.682 0.000 +ATOM 19 CA GLY 10 -6.772 -11.653 -5.757 0.000 +ATOM 20 CA GLY 11 -8.527 -14.543 -7.493 0.000 +ATOM 21 CA PRO 12 -7.734 -18.228 -7.014 0.000 +ATOM 22 CB PRO 12 -8.880 -18.376 -7.703 0.000 +ATOM 23 CA SER 13 -4.342 -19.212 -8.415 0.000 +ATOM 24 CB SER 13 -4.243 -20.287 -8.811 0.000 +ATOM 25 CA SER 14 -5.319 -17.696 -11.760 0.000 +ATOM 26 CB SER 14 -6.455 -17.597 -11.908 0.000 +ATOM 27 CA GLY 15 -4.845 -14.192 -10.369 0.000 +ATOM 28 CA ARG 16 -3.601 -14.852 -6.840 0.000 +ATOM 29 CB ARG 16 -0.906 -15.566 -5.680 0.000 +ATOM 30 CA PRO 17 -5.467 -16.187 -3.811 0.000 +ATOM 31 CB PRO 17 -4.460 -15.589 -3.148 0.000 +ATOM 32 CA PRO 18 -8.889 -14.814 -2.891 0.000 +ATOM 33 CB PRO 18 -9.358 -15.904 -3.525 0.000 +ATOM 34 CA PRO 19 -9.826 -14.514 0.779 0.000 +ATOM 35 CB PRO 19 -10.222 -13.278 0.425 0.000 +ATOM 36 CA SER 20 -12.511 -17.191 0.522 0.000 +ATOM 37 CB SER 20 -13.140 -17.191 -0.441 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