X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40039.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40039.pdb;h=f9cf8c018b988ad1df6b6df71f09bbb85d814191;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@039.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@039.pdb new file mode 100644 index 0000000..f9cf8c0 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@039.pdb @@ -0,0 +1,63 @@ +REMARK GM 39 e 3937216 m 16981 ENERGY -2.13253E+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 0.212 1.568 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.288 -4.662 1.204 0.000 +ATOM 5 CA TYR 3 1.605 -4.114 -2.898 0.000 +ATOM 6 CB TYR 3 -0.282 -3.079 -4.139 0.000 +ATOM 7 CA ILE 4 2.742 -7.658 -3.665 0.000 +ATOM 8 CB ILE 4 4.204 -7.922 -2.692 0.000 +ATOM 9 CA GLN 5 0.703 -9.092 -0.797 0.000 +ATOM 10 CB GLN 5 2.107 -9.550 0.887 0.000 +ATOM 11 CA TRP 6 -2.258 -6.881 -1.683 0.000 +ATOM 12 CB TRP 6 -3.347 -4.517 -1.802 0.000 +ATOM 13 CA LEU 7 -2.086 -7.880 -5.345 0.000 +ATOM 14 CB LEU 7 -2.308 -6.453 -6.639 0.000 +ATOM 15 CA LYS 8 -1.472 -11.516 -4.428 0.000 +ATOM 16 CB LYS 8 -1.029 -11.756 -1.937 0.000 +ATOM 17 CA ASP 9 -4.719 -11.699 -2.462 0.000 +ATOM 18 CB ASP 9 -6.147 -11.747 -1.525 0.000 +ATOM 19 CA GLY 10 -6.867 -11.760 -5.597 0.000 +ATOM 20 CA GLY 11 -8.589 -14.719 -7.244 0.000 +ATOM 21 CA PRO 12 -7.749 -18.380 -6.664 0.000 +ATOM 22 CB PRO 12 -8.883 -18.566 -7.363 0.000 +ATOM 23 CA SER 13 -4.345 -19.365 -8.035 0.000 +ATOM 24 CB SER 13 -4.229 -20.452 -8.391 0.000 +ATOM 25 CA SER 14 -5.338 -17.964 -11.425 0.000 +ATOM 26 CB SER 14 -6.475 -17.877 -11.573 0.000 +ATOM 27 CA GLY 15 -4.889 -14.413 -10.148 0.000 +ATOM 28 CA ARG 16 -3.653 -14.955 -6.595 0.000 +ATOM 29 CB ARG 16 -1.203 -14.120 -8.151 0.000 +ATOM 30 CA PRO 17 -5.498 -16.224 -3.525 0.000 +ATOM 31 CB PRO 17 -4.499 -15.596 -2.880 0.000 +ATOM 32 CA PRO 18 -8.932 -14.863 -2.635 0.000 +ATOM 33 CB PRO 18 -9.386 -15.973 -3.244 0.000 +ATOM 34 CA PRO 19 -9.854 -14.451 1.028 0.000 +ATOM 35 CB PRO 19 -10.268 -13.232 0.638 0.000 +ATOM 36 CA SER 20 -12.505 -17.168 0.877 0.000 +ATOM 37 CB SER 20 -13.137 -17.211 -0.083 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