X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40045.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40045.pdb;h=3f350c991eba67f20e75344980a11731478cd65a;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb new file mode 100644 index 0000000..3f350c9 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb @@ -0,0 +1,63 @@ +REMARK GM 45 e 5237732 m 22959 ENERGY -2.13559E+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 0.213 1.567 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.299 -4.666 1.190 0.000 +ATOM 5 CA TYR 3 1.572 -4.116 -2.870 0.000 +ATOM 6 CB TYR 3 -0.325 -3.078 -4.093 0.000 +ATOM 7 CA ILE 4 2.693 -7.665 -3.640 0.000 +ATOM 8 CB ILE 4 4.166 -7.932 -2.685 0.000 +ATOM 9 CA GLN 5 0.687 -9.085 -0.742 0.000 +ATOM 10 CB GLN 5 2.113 -9.564 0.919 0.000 +ATOM 11 CA TRP 6 -2.280 -6.871 -1.596 0.000 +ATOM 12 CB TRP 6 -3.351 -4.499 -1.707 0.000 +ATOM 13 CA LEU 7 -2.155 -7.881 -5.258 0.000 +ATOM 14 CB LEU 7 -2.395 -6.457 -6.551 0.000 +ATOM 15 CA LYS 8 -1.529 -11.514 -4.338 0.000 +ATOM 16 CB LYS 8 -1.102 -11.756 -1.845 0.000 +ATOM 17 CA ASP 9 -4.743 -11.685 -2.317 0.000 +ATOM 18 CB ASP 9 -6.187 -11.671 -1.403 0.000 +ATOM 19 CA GLY 10 -6.949 -11.694 -5.412 0.000 +ATOM 20 CA GLY 11 -8.740 -14.625 -7.038 0.000 +ATOM 21 CA PRO 12 -7.938 -18.298 -6.482 0.000 +ATOM 22 CB PRO 12 -8.623 -18.777 -7.536 0.000 +ATOM 23 CA SER 13 -4.619 -19.212 -8.091 0.000 +ATOM 24 CB SER 13 -4.524 -20.283 -8.500 0.000 +ATOM 25 CA SER 14 -5.788 -17.670 -11.361 0.000 +ATOM 26 CB SER 14 -6.928 -17.535 -11.427 0.000 +ATOM 27 CA GLY 15 -5.122 -14.180 -10.012 0.000 +ATOM 28 CA ARG 16 -3.772 -14.880 -6.529 0.000 +ATOM 29 CB ARG 16 -1.350 -14.086 -8.148 0.000 +ATOM 30 CA PRO 17 -5.572 -16.200 -3.453 0.000 +ATOM 31 CB PRO 17 -4.583 -15.575 -2.790 0.000 +ATOM 32 CA PRO 18 -8.956 -14.837 -2.392 0.000 +ATOM 33 CB PRO 18 -9.459 -15.777 -3.212 0.000 +ATOM 34 CA PRO 19 -10.052 -15.146 1.233 0.000 +ATOM 35 CB PRO 19 -8.966 -14.412 1.537 0.000 +ATOM 36 CA SER 20 -13.627 -16.030 0.297 0.000 +ATOM 37 CB SER 20 -14.098 -15.426 -0.561 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