X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40026.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40026.pdb;h=a6ee4c033f81eb3e37834c5e04105553215f8e09;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@026.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@026.pdb new file mode 100644 index 0000000..a6ee4c0 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@026.pdb @@ -0,0 +1,63 @@ +REMARK GM 26 e 2112579 m 8673 ENERGY -2.12422E+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 4.287 1.404 0.792 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.370 -4.616 1.145 0.000 +ATOM 5 CA TYR 3 1.494 -4.120 -2.803 0.000 +ATOM 6 CB TYR 3 -0.479 -3.138 -3.949 0.000 +ATOM 7 CA ILE 4 2.613 -7.656 -3.632 0.000 +ATOM 8 CB ILE 4 4.149 -7.836 -2.758 0.000 +ATOM 9 CA GLN 5 0.616 -9.125 -0.752 0.000 +ATOM 10 CB GLN 5 0.979 -8.681 1.413 0.000 +ATOM 11 CA TRP 6 -2.357 -6.903 -1.566 0.000 +ATOM 12 CB TRP 6 -3.901 -4.815 -1.358 0.000 +ATOM 13 CA LEU 7 -2.335 -7.948 -5.219 0.000 +ATOM 14 CB LEU 7 -2.453 -6.505 -6.509 0.000 +ATOM 15 CA LYS 8 -2.068 -11.619 -4.275 0.000 +ATOM 16 CB LYS 8 -0.005 -11.256 -2.837 0.000 +ATOM 17 CA ASP 9 -5.396 -11.539 -2.443 0.000 +ATOM 18 CB ASP 9 -6.846 -11.455 -1.543 0.000 +ATOM 19 CA GLY 10 -7.386 -10.736 -5.579 0.000 +ATOM 20 CA GLY 11 -10.670 -12.176 -6.836 0.000 +ATOM 21 CA PRO 12 -11.339 -15.692 -8.113 0.000 +ATOM 22 CB PRO 12 -12.605 -15.328 -7.842 0.000 +ATOM 23 CA SER 13 -8.606 -16.518 -10.620 0.000 +ATOM 24 CB SER 13 -8.946 -16.874 -11.660 0.000 +ATOM 25 CA SER 14 -8.243 -12.858 -11.576 0.000 +ATOM 26 CB SER 14 -8.898 -12.214 -10.884 0.000 +ATOM 27 CA GLY 15 -5.248 -12.440 -9.274 0.000 +ATOM 28 CA ARG 16 -5.425 -15.250 -6.723 0.000 +ATOM 29 CB ARG 16 -4.851 -14.744 -3.801 0.000 +ATOM 30 CA PRO 17 -8.396 -16.496 -4.708 0.000 +ATOM 31 CB PRO 17 -7.653 -17.617 -4.725 0.000 +ATOM 32 CA PRO 18 -10.036 -14.128 -2.229 0.000 +ATOM 33 CB PRO 18 -11.107 -14.373 -3.005 0.000 +ATOM 34 CA PRO 19 -9.645 -14.898 1.472 0.000 +ATOM 35 CB PRO 19 -8.336 -14.671 1.266 0.000 +ATOM 36 CA SER 20 -13.273 -14.072 2.244 0.000 +ATOM 37 CB SER 20 -13.703 -13.132 1.740 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