X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40041.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40041.pdb;h=75e59419e1cae073061816ee8535bd18c5b10cd4;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@041.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@041.pdb new file mode 100644 index 0000000..75e5941 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@041.pdb @@ -0,0 +1,63 @@ +REMARK GM 41 e 4878508 m 21304 ENERGY -2.13441E+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 0.214 1.567 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.300 -4.665 1.189 0.000 +ATOM 5 CA TYR 3 1.572 -4.116 -2.870 0.000 +ATOM 6 CB TYR 3 -0.326 -3.080 -4.092 0.000 +ATOM 7 CA ILE 4 2.696 -7.663 -3.642 0.000 +ATOM 8 CB ILE 4 4.171 -7.928 -2.689 0.000 +ATOM 9 CA GLN 5 0.687 -9.088 -0.748 0.000 +ATOM 10 CB GLN 5 2.133 -9.590 0.887 0.000 +ATOM 11 CA TRP 6 -2.280 -6.873 -1.604 0.000 +ATOM 12 CB TRP 6 -3.361 -4.506 -1.715 0.000 +ATOM 13 CA LEU 7 -2.153 -7.884 -5.265 0.000 +ATOM 14 CB LEU 7 -2.388 -6.458 -6.558 0.000 +ATOM 15 CA LYS 8 -1.529 -11.517 -4.345 0.000 +ATOM 16 CB LYS 8 -1.080 -11.755 -1.855 0.000 +ATOM 17 CA ASP 9 -4.749 -11.691 -2.334 0.000 +ATOM 18 CB ASP 9 -6.172 -11.718 -1.388 0.000 +ATOM 19 CA GLY 10 -6.942 -11.733 -5.437 0.000 +ATOM 20 CA GLY 11 -8.698 -14.689 -7.056 0.000 +ATOM 21 CA PRO 12 -7.897 -18.353 -6.443 0.000 +ATOM 22 CB PRO 12 -8.567 -18.847 -7.500 0.000 +ATOM 23 CA SER 13 -4.553 -19.286 -7.990 0.000 +ATOM 24 CB SER 13 -4.450 -20.363 -8.379 0.000 +ATOM 25 CA SER 14 -5.683 -17.805 -11.302 0.000 +ATOM 26 CB SER 14 -6.823 -17.680 -11.389 0.000 +ATOM 27 CA GLY 15 -5.061 -14.290 -9.999 0.000 +ATOM 28 CA ARG 16 -3.745 -14.927 -6.491 0.000 +ATOM 29 CB ARG 16 -1.310 -14.129 -8.089 0.000 +ATOM 30 CA PRO 17 -5.568 -16.208 -3.413 0.000 +ATOM 31 CB PRO 17 -4.568 -15.585 -2.765 0.000 +ATOM 32 CA PRO 18 -8.975 -14.848 -2.422 0.000 +ATOM 33 CB PRO 18 -9.464 -15.813 -3.221 0.000 +ATOM 34 CA PRO 19 -10.145 -15.077 1.186 0.000 +ATOM 35 CB PRO 19 -9.996 -13.741 1.208 0.000 +ATOM 36 CA SER 20 -13.660 -16.123 0.192 0.000 +ATOM 37 CB SER 20 -14.127 -15.567 -0.700 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