X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40027.pdb;fp=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40027.pdb;h=825c7f3cb2966a8c8a4938925ae04f23c47d5ed3;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=0000000000000000000000000000000000000000;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git diff --git a/examples/unres/CSA/4P/CSA/output/1l2y_csa@027.pdb b/examples/unres/CSA/4P/CSA/output/1l2y_csa@027.pdb new file mode 100644 index 0000000..825c7f3 --- /dev/null +++ b/examples/unres/CSA/4P/CSA/output/1l2y_csa@027.pdb @@ -0,0 +1,62 @@ +REMARK GM 27 e 2523504 m 9762 ENERGY -1.86447E+02 +HELIX 1 H1 LEU 2 GLY 10 1 8 +HELIX 2 H2 GLY 11 PRO 17 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.370 0.261 1.563 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.756 -5.665 0.414 0.000 +ATOM 5 CA TYR 3 1.483 -4.088 -2.795 0.000 +ATOM 6 CB TYR 3 0.541 -1.790 -2.824 0.000 +ATOM 7 CA ILE 4 4.013 -3.098 -5.452 0.000 +ATOM 8 CB ILE 4 4.141 -1.433 -6.057 0.000 +ATOM 9 CA GLN 5 6.654 -5.415 -4.005 0.000 +ATOM 10 CB GLN 5 7.371 -4.128 -2.318 0.000 +ATOM 11 CA TRP 6 4.067 -8.145 -3.462 0.000 +ATOM 12 CB TRP 6 3.309 -10.294 -2.200 0.000 +ATOM 13 CA LEU 7 2.532 -7.545 -6.886 0.000 +ATOM 14 CB LEU 7 0.963 -6.570 -6.298 0.000 +ATOM 15 CA LYS 8 5.966 -7.441 -8.510 0.000 +ATOM 16 CB LYS 8 6.841 -5.070 -8.251 0.000 +ATOM 17 CA ASP 9 6.942 -10.798 -7.019 0.000 +ATOM 18 CB ASP 9 7.068 -10.358 -5.373 0.000 +ATOM 19 CA GLY 10 4.892 -12.769 -9.540 0.000 +ATOM 20 CA GLY 11 1.499 -14.479 -9.513 0.000 +ATOM 21 CA PRO 12 2.472 -16.932 -6.779 0.000 +ATOM 22 CB PRO 12 3.599 -17.180 -7.471 0.000 +ATOM 23 CA SER 13 3.468 -14.086 -4.466 0.000 +ATOM 24 CB SER 13 3.995 -13.212 -4.995 0.000 +ATOM 25 CA SER 14 0.006 -12.543 -4.734 0.000 +ATOM 26 CB SER 14 0.510 -11.567 -5.072 0.000 +ATOM 27 CA GLY 15 -1.746 -15.832 -3.989 0.000 +ATOM 28 CA ARG 16 0.421 -16.698 -0.990 0.000 +ATOM 29 CB ARG 16 3.300 -16.118 -1.692 0.000 +ATOM 30 CA PRO 17 0.428 -14.754 2.276 0.000 +ATOM 31 CB PRO 17 0.853 -15.964 2.683 0.000 +ATOM 32 CA PRO 18 1.925 -11.262 2.250 0.000 +ATOM 33 CB PRO 18 0.802 -10.955 2.923 0.000 +ATOM 34 CA PRO 19 5.347 -10.785 3.833 0.000 +ATOM 35 CB PRO 19 5.677 -10.545 2.551 0.000 +ATOM 36 CA SER 20 4.265 -7.654 5.694 0.000 +ATOM 37 CB SER 20 3.644 -6.912 5.071 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