X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40040.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40040.pdb;h=defded0ac49d6d2c2f16398522330e9dac40ceb1;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=0000000000000000000000000000000000000000;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@040.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@040.pdb new file mode 100644 index 0000000..defded0 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@040.pdb @@ -0,0 +1,61 @@ +REMARK GM 40 e 3468883 m 11599 ENERGY -9.22402E+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 5.417 0.452 0.129 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.497 -5.596 -0.434 0.000 +ATOM 5 CA TYR 3 6.137 -3.749 -3.179 0.000 +ATOM 6 CB TYR 3 6.025 -1.308 -3.625 0.000 +ATOM 7 CA ILE 4 9.340 -3.118 -1.234 0.000 +ATOM 8 CB ILE 4 10.022 -1.490 -1.039 0.000 +ATOM 9 CA GLN 5 8.347 -5.694 1.377 0.000 +ATOM 10 CB GLN 5 7.035 -4.315 2.558 0.000 +ATOM 11 CA TRP 6 7.246 -8.070 -1.377 0.000 +ATOM 12 CB TRP 6 5.622 -9.944 -2.174 0.000 +ATOM 13 CA LEU 7 10.321 -7.209 -3.437 0.000 +ATOM 14 CB LEU 7 9.119 -6.569 -4.818 0.000 +ATOM 15 CA LYS 8 12.563 -7.965 -0.464 0.000 +ATOM 16 CB LYS 8 11.693 -6.040 0.949 0.000 +ATOM 17 CA ASP 9 10.694 -11.192 0.264 0.000 +ATOM 18 CB ASP 9 9.331 -10.386 0.908 0.000 +ATOM 19 CA GLY 10 12.365 -12.859 -2.713 0.000 +ATOM 20 CA GLY 11 10.968 -10.925 -5.671 0.000 +ATOM 21 CA PRO 12 7.337 -12.003 -5.373 0.000 +ATOM 22 CB PRO 12 6.867 -10.916 -6.010 0.000 +ATOM 23 CA SER 13 8.264 -15.422 -3.999 0.000 +ATOM 24 CB SER 13 9.387 -15.580 -3.807 0.000 +ATOM 25 CA SER 14 7.298 -14.579 -0.422 0.000 +ATOM 26 CB SER 14 7.048 -13.469 -0.255 0.000 +ATOM 27 CA GLY 15 4.071 -15.843 1.139 0.000 +ATOM 28 CA ARG 16 2.100 -12.682 0.388 0.000 +ATOM 29 CB ARG 16 4.015 -10.494 1.205 0.000 +ATOM 30 CA PRO 17 0.432 -11.493 -2.813 0.000 +ATOM 31 CB PRO 17 0.014 -10.509 -1.997 0.000 +ATOM 32 CA PRO 18 2.623 -10.502 -5.756 0.000 +ATOM 33 CB PRO 18 1.795 -11.318 -6.433 0.000 +ATOM 34 CA PRO 19 2.833 -6.823 -6.681 0.000 +ATOM 35 CB PRO 19 3.706 -6.820 -5.658 0.000 +ATOM 36 CA SER 20 4.153 -7.544 -10.171 0.000 +ATOM 37 CB SER 20 5.073 -8.233 -10.143 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