X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Frestrained%2Foutput%2F1l2y_csa%40037.pdb;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Frestrained%2Foutput%2F1l2y_csa%40037.pdb;h=03949d570e552bf27fe1f5238233cfb98badfc21;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=0000000000000000000000000000000000000000;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/output/1l2y_csa@037.pdb b/examples/unres/CSA/GAB/CSA/global/restrained/output/1l2y_csa@037.pdb new file mode 100644 index 0000000..03949d5 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/restrained/output/1l2y_csa@037.pdb @@ -0,0 +1,61 @@ +REMARK GM 37 e 3023283 m 10030 ENERGY -9.22331E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.419 0.444 0.134 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.538 -5.615 -0.406 0.000 +ATOM 5 CA TYR 3 6.124 -3.749 -3.187 0.000 +ATOM 6 CB TYR 3 5.977 -1.310 -3.633 0.000 +ATOM 7 CA ILE 4 9.331 -3.140 -1.242 0.000 +ATOM 8 CB ILE 4 10.038 -1.534 -0.968 0.000 +ATOM 9 CA GLN 5 8.319 -5.722 1.355 0.000 +ATOM 10 CB GLN 5 7.152 -4.172 2.475 0.000 +ATOM 11 CA TRP 6 7.200 -8.079 -1.408 0.000 +ATOM 12 CB TRP 6 5.680 -10.081 -2.092 0.000 +ATOM 13 CA LEU 7 10.288 -7.234 -3.454 0.000 +ATOM 14 CB LEU 7 9.106 -6.625 -4.866 0.000 +ATOM 15 CA LYS 8 12.511 -7.866 -0.438 0.000 +ATOM 16 CB LYS 8 12.946 -5.477 0.312 0.000 +ATOM 17 CA ASP 9 10.723 -11.122 0.364 0.000 +ATOM 18 CB ASP 9 9.304 -10.383 0.965 0.000 +ATOM 19 CA GLY 10 12.499 -12.830 -2.529 0.000 +ATOM 20 CA GLY 11 11.091 -10.998 -5.546 0.000 +ATOM 21 CA PRO 12 7.484 -12.154 -5.242 0.000 +ATOM 22 CB PRO 12 6.987 -11.078 -5.877 0.000 +ATOM 23 CA SER 13 8.491 -15.542 -3.844 0.000 +ATOM 24 CB SER 13 9.617 -15.664 -3.649 0.000 +ATOM 25 CA SER 14 7.507 -14.694 -0.272 0.000 +ATOM 26 CB SER 14 7.214 -13.591 -0.130 0.000 +ATOM 27 CA GLY 15 4.322 -16.007 1.333 0.000 +ATOM 28 CA ARG 16 2.297 -12.877 0.595 0.000 +ATOM 29 CB ARG 16 4.090 -10.554 1.310 0.000 +ATOM 30 CA PRO 17 0.607 -11.750 -2.616 0.000 +ATOM 31 CB PRO 17 0.199 -10.737 -1.832 0.000 +ATOM 32 CA PRO 18 2.765 -10.739 -5.576 0.000 +ATOM 33 CB PRO 18 1.981 -11.619 -6.225 0.000 +ATOM 34 CA PRO 19 2.849 -7.073 -6.574 0.000 +ATOM 35 CB PRO 19 3.741 -7.004 -5.570 0.000 +ATOM 36 CA SER 20 4.218 -7.809 -10.042 0.000 +ATOM 37 CB SER 20 5.190 -8.422 -10.002 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