X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40027.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40027.pdb;h=5a80800410a62de32529517e127aa4186ce92577;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@027.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@027.pdb new file mode 100644 index 0000000..5a80800 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@027.pdb @@ -0,0 +1,61 @@ +REMARK GM 27 e 2503190 m 7797 ENERGY -9.07449E+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 5.452 0.318 0.064 0.000 +ATOM 3 CA LEU 2 4.061 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.745 -5.648 -0.458 0.000 +ATOM 5 CA TYR 3 6.274 -3.724 -3.089 0.000 +ATOM 6 CB TYR 3 6.181 -5.868 -4.340 0.000 +ATOM 7 CA ILE 4 9.402 -3.282 -0.977 0.000 +ATOM 8 CB ILE 4 10.219 -1.741 -0.644 0.000 +ATOM 9 CA GLN 5 8.160 -5.897 1.484 0.000 +ATOM 10 CB GLN 5 7.140 -4.208 2.546 0.000 +ATOM 11 CA TRP 6 7.171 -8.175 -1.392 0.000 +ATOM 12 CB TRP 6 6.725 -10.371 -2.720 0.000 +ATOM 13 CA LEU 7 10.474 -7.556 -3.167 0.000 +ATOM 14 CB LEU 7 10.548 -6.055 -4.392 0.000 +ATOM 15 CA LYS 8 12.403 -8.300 0.021 0.000 +ATOM 16 CB LYS 8 13.126 -5.901 0.443 0.000 +ATOM 17 CA ASP 9 10.026 -11.092 1.016 0.000 +ATOM 18 CB ASP 9 9.065 -10.098 2.021 0.000 +ATOM 19 CA GLY 10 10.717 -13.080 -2.148 0.000 +ATOM 20 CA GLY 11 9.561 -12.277 -5.678 0.000 +ATOM 21 CA PRO 12 6.263 -12.145 -7.560 0.000 +ATOM 22 CB PRO 12 6.498 -13.127 -8.449 0.000 +ATOM 23 CA SER 13 3.958 -14.750 -6.029 0.000 +ATOM 24 CB SER 13 3.432 -15.465 -6.760 0.000 +ATOM 25 CA SER 14 6.908 -17.013 -5.246 0.000 +ATOM 26 CB SER 14 7.848 -16.443 -5.584 0.000 +ATOM 27 CA GLY 15 7.171 -15.734 -1.678 0.000 +ATOM 28 CA ARG 16 4.631 -13.425 -0.048 0.000 +ATOM 29 CB ARG 16 5.136 -10.646 1.021 0.000 +ATOM 30 CA PRO 17 1.867 -11.665 -1.974 0.000 +ATOM 31 CB PRO 17 1.489 -11.258 -0.749 0.000 +ATOM 32 CA PRO 18 2.812 -8.998 -4.510 0.000 +ATOM 33 CB PRO 18 2.982 -10.092 -5.274 0.000 +ATOM 34 CA PRO 19 0.866 -5.919 -5.595 0.000 +ATOM 35 CB PRO 19 1.633 -5.094 -4.861 0.000 +ATOM 36 CA SER 20 3.125 -5.269 -8.581 0.000 +ATOM 37 CB SER 20 4.230 -5.480 -8.345 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