X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40033.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40033.pdb;h=68d6113ec7d5fd4c6e9f1ee6e36478872ac2d080;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@033.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@033.pdb new file mode 100644 index 0000000..68d6113 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@033.pdb @@ -0,0 +1,63 @@ +REMARK GM 33 e 3147899 m 13320 ENERGY -2.12974E+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 4.287 1.407 0.787 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.344 -4.655 1.147 0.000 +ATOM 5 CA TYR 3 1.503 -4.120 -2.810 0.000 +ATOM 6 CB TYR 3 -0.424 -3.083 -3.985 0.000 +ATOM 7 CA ILE 4 2.608 -7.668 -3.605 0.000 +ATOM 8 CB ILE 4 4.101 -7.935 -2.681 0.000 +ATOM 9 CA GLN 5 0.662 -9.091 -0.667 0.000 +ATOM 10 CB GLN 5 2.099 -9.484 1.006 0.000 +ATOM 11 CA TRP 6 -2.321 -6.874 -1.457 0.000 +ATOM 12 CB TRP 6 -3.424 -4.516 -1.549 0.000 +ATOM 13 CA LEU 7 -2.277 -7.884 -5.120 0.000 +ATOM 14 CB LEU 7 -2.535 -6.458 -6.409 0.000 +ATOM 15 CA LYS 8 -1.634 -11.518 -4.215 0.000 +ATOM 16 CB LYS 8 -1.093 -11.745 -1.743 0.000 +ATOM 17 CA ASP 9 -4.811 -11.691 -2.136 0.000 +ATOM 18 CB ASP 9 -6.201 -11.734 -1.143 0.000 +ATOM 19 CA GLY 10 -7.067 -11.765 -5.193 0.000 +ATOM 20 CA GLY 11 -8.842 -14.735 -6.764 0.000 +ATOM 21 CA PRO 12 -7.986 -18.393 -6.190 0.000 +ATOM 22 CB PRO 12 -9.148 -18.580 -6.842 0.000 +ATOM 23 CA SER 13 -4.633 -19.387 -7.675 0.000 +ATOM 24 CB SER 13 -4.528 -20.477 -8.026 0.000 +ATOM 25 CA SER 14 -5.745 -18.004 -11.036 0.000 +ATOM 26 CB SER 14 -6.886 -17.918 -11.153 0.000 +ATOM 27 CA GLY 15 -5.243 -14.446 -9.798 0.000 +ATOM 28 CA ARG 16 -3.889 -14.969 -6.286 0.000 +ATOM 29 CB ARG 16 -1.500 -14.130 -7.932 0.000 +ATOM 30 CA PRO 17 -5.624 -16.219 -3.145 0.000 +ATOM 31 CB PRO 17 -4.604 -15.587 -2.539 0.000 +ATOM 32 CA PRO 18 -9.025 -14.850 -2.144 0.000 +ATOM 33 CB PRO 18 -9.499 -15.965 -2.729 0.000 +ATOM 34 CA PRO 19 -9.808 -14.399 1.547 0.000 +ATOM 35 CB PRO 19 -10.248 -13.188 1.161 0.000 +ATOM 36 CA SER 20 -12.456 -17.124 1.527 0.000 +ATOM 37 CB SER 20 -13.120 -17.183 0.589 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