X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40027.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40027.pdb;h=c9392adced1195d27917924ab2d7597744d4efa6;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@027.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@027.pdb new file mode 100644 index 0000000..c9392ad --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@027.pdb @@ -0,0 +1,63 @@ +REMARK GM 27 e 2198815 m 9061 ENERGY -2.12425E+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 0.791 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.362 -4.626 1.148 0.000 +ATOM 5 CA TYR 3 1.495 -4.120 -2.803 0.000 +ATOM 6 CB TYR 3 -0.472 -3.131 -3.954 0.000 +ATOM 7 CA ILE 4 2.610 -7.658 -3.627 0.000 +ATOM 8 CB ILE 4 4.141 -7.849 -2.747 0.000 +ATOM 9 CA GLN 5 0.615 -9.120 -0.742 0.000 +ATOM 10 CB GLN 5 0.957 -8.673 1.426 0.000 +ATOM 11 CA TRP 6 -2.358 -6.899 -1.558 0.000 +ATOM 12 CB TRP 6 -3.898 -4.808 -1.353 0.000 +ATOM 13 CA LEU 7 -2.333 -7.946 -5.211 0.000 +ATOM 14 CB LEU 7 -2.457 -6.502 -6.499 0.000 +ATOM 15 CA LYS 8 -2.056 -11.615 -4.265 0.000 +ATOM 16 CB LYS 8 0.000 -11.257 -2.816 0.000 +ATOM 17 CA ASP 9 -5.375 -11.537 -2.415 0.000 +ATOM 18 CB ASP 9 -6.816 -11.443 -1.502 0.000 +ATOM 19 CA GLY 10 -7.383 -10.750 -5.544 0.000 +ATOM 20 CA GLY 11 -10.674 -12.196 -6.774 0.000 +ATOM 21 CA PRO 12 -11.350 -15.722 -8.019 0.000 +ATOM 22 CB PRO 12 -12.615 -15.357 -7.742 0.000 +ATOM 23 CA SER 13 -8.634 -16.561 -10.541 0.000 +ATOM 24 CB SER 13 -8.981 -16.925 -11.576 0.000 +ATOM 25 CA SER 14 -8.282 -12.908 -11.524 0.000 +ATOM 26 CB SER 14 -8.935 -12.260 -10.834 0.000 +ATOM 27 CA GLY 15 -5.274 -12.471 -9.244 0.000 +ATOM 28 CA ARG 16 -5.428 -15.268 -6.677 0.000 +ATOM 29 CB ARG 16 -4.833 -14.746 -3.763 0.000 +ATOM 30 CA PRO 17 -8.384 -16.503 -4.633 0.000 +ATOM 31 CB PRO 17 -7.641 -17.625 -4.648 0.000 +ATOM 32 CA PRO 18 -10.009 -14.121 -2.158 0.000 +ATOM 33 CB PRO 18 -11.086 -14.373 -2.924 0.000 +ATOM 34 CA PRO 19 -9.594 -14.866 1.545 0.000 +ATOM 35 CB PRO 19 -8.285 -14.647 1.327 0.000 +ATOM 36 CA SER 20 -13.211 -14.017 2.339 0.000 +ATOM 37 CB SER 20 -13.641 -13.080 1.830 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