X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40017.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40017.pdb;h=c19dd1421194385f3e6adcd7c3b5a65175e17b2b;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@017.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@017.pdb new file mode 100644 index 0000000..c19dd14 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@017.pdb @@ -0,0 +1,64 @@ +REMARK GM 17 e 882590 m 3437 ENERGY -2.04363E+02 +SHEET 1 B1 2 GLN 5 LEU 7 0 +SHEET 2 B1 2 GLY 10 PRO 12 -1 N PRO 12 O GLN 5 +SHEET 1 B2 2 ASP 9 GLY 11 0 +SHEET 2 B2 2 SER 14 ARG 16 -1 N ARG 16 O ASP 9 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.262 1.425 0.770 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.064 -4.993 1.126 0.000 +ATOM 5 CA TYR 3 1.492 -4.131 -2.799 0.000 +ATOM 6 CB TYR 3 -0.065 -2.512 -3.860 0.000 +ATOM 7 CA ILE 4 2.487 -7.734 -3.482 0.000 +ATOM 8 CB ILE 4 3.768 -8.575 -2.583 0.000 +ATOM 9 CA GLN 5 0.561 -9.025 -0.471 0.000 +ATOM 10 CB GLN 5 0.709 -8.418 1.680 0.000 +ATOM 11 CA TRP 6 -2.317 -6.639 -1.153 0.000 +ATOM 12 CB TRP 6 -3.752 -4.477 -0.932 0.000 +ATOM 13 CA LEU 7 -2.719 -7.829 -4.740 0.000 +ATOM 14 CB LEU 7 -2.297 -6.302 -5.858 0.000 +ATOM 15 CA LYS 8 -2.916 -11.479 -3.701 0.000 +ATOM 16 CB LYS 8 -0.908 -11.355 -2.148 0.000 +ATOM 17 CA ASP 9 -6.542 -11.664 -4.820 0.000 +ATOM 18 CB ASP 9 -7.830 -11.765 -3.701 0.000 +ATOM 19 CA GLY 10 -7.032 -7.979 -4.028 0.000 +ATOM 20 CA GLY 11 -5.920 -8.343 -0.412 0.000 +ATOM 21 CA PRO 12 -4.414 -11.778 0.196 0.000 +ATOM 22 CB PRO 12 -3.525 -11.179 1.008 0.000 +ATOM 23 CA SER 13 -7.773 -13.306 -0.710 0.000 +ATOM 24 CB SER 13 -8.197 -14.046 0.062 0.000 +ATOM 25 CA SER 14 -9.700 -10.265 0.508 0.000 +ATOM 26 CB SER 14 -8.906 -10.199 1.338 0.000 +ATOM 27 CA GLY 15 -11.127 -9.324 -2.886 0.000 +ATOM 28 CA ARG 16 -11.881 -12.884 -3.979 0.000 +ATOM 29 CB ARG 16 -10.625 -11.560 -6.385 0.000 +ATOM 30 CA PRO 17 -14.823 -14.770 -2.486 0.000 +ATOM 31 CB PRO 17 -14.765 -15.303 -3.719 0.000 +ATOM 32 CA PRO 18 -14.399 -16.262 0.983 0.000 +ATOM 33 CB PRO 18 -15.498 -15.523 1.221 0.000 +ATOM 34 CA PRO 19 -14.079 -20.037 1.274 0.000 +ATOM 35 CB PRO 19 -12.813 -19.853 1.687 0.000 +ATOM 36 CA SER 20 -16.357 -20.205 4.311 0.000 +ATOM 37 CB SER 20 -16.195 -19.408 5.124 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