X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa%40012.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa%40012.pdb;h=f299f429741fedacbbb2b6c239f8991da2d16727;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/local/outputs/1l2y_csa@012.pdb b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@012.pdb new file mode 100644 index 0000000..f299f42 --- /dev/null +++ b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@012.pdb @@ -0,0 +1,61 @@ +REMARK GM 12 e 299719 m 561 rms 2.30 %NC 53.3 ENERGY -8.93600E+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 5.122 0.918 0.495 0.000 +ATOM 3 CA LEU 2 5.217 -3.526 0.000 0.000 +ATOM 4 CB LEU 2 5.576 -5.324 -0.629 0.000 +ATOM 5 CA TYR 3 8.533 -2.341 -1.429 0.000 +ATOM 6 CB TYR 3 8.101 0.020 -2.067 0.000 +ATOM 7 CA ILE 4 9.776 -1.255 1.994 0.000 +ATOM 8 CB ILE 4 9.765 0.419 2.586 0.000 +ATOM 9 CA GLN 5 8.361 -4.397 3.596 0.000 +ATOM 10 CB GLN 5 6.341 -3.451 3.802 0.000 +ATOM 11 CA TRP 6 9.739 -6.487 0.736 0.000 +ATOM 12 CB TRP 6 9.538 -8.636 -0.722 0.000 +ATOM 13 CA LEU 7 12.995 -4.527 0.800 0.000 +ATOM 14 CB LEU 7 12.590 -3.907 -0.992 0.000 +ATOM 15 CA LYS 8 13.292 -5.058 4.551 0.000 +ATOM 16 CB LYS 8 12.483 -2.797 5.381 0.000 +ATOM 17 CA ASP 9 12.459 -8.752 4.229 0.000 +ATOM 18 CB ASP 9 10.798 -8.476 3.933 0.000 +ATOM 19 CA GLY 10 15.937 -9.445 2.866 0.000 +ATOM 20 CA GLY 11 15.939 -7.529 -0.415 0.000 +ATOM 21 CA PRO 12 13.294 -9.554 -2.244 0.000 +ATOM 22 CB PRO 12 12.938 -8.535 -3.047 0.000 +ATOM 23 CA SER 13 14.309 -12.786 -0.522 0.000 +ATOM 24 CB SER 13 15.120 -12.662 0.284 0.000 +ATOM 25 CA SER 14 11.334 -12.812 1.842 0.000 +ATOM 26 CB SER 14 10.714 -11.844 1.813 0.000 +ATOM 27 CA GLY 15 8.309 -15.060 1.357 0.000 +ATOM 28 CA ARG 16 6.245 -12.422 -0.438 0.000 +ATOM 29 CB ARG 16 6.582 -9.941 1.251 0.000 +ATOM 30 CA PRO 17 6.374 -11.286 -4.063 0.000 +ATOM 31 CB PRO 17 5.253 -10.650 -3.679 0.000 +ATOM 32 CA PRO 18 9.390 -9.316 -5.271 0.000 +ATOM 33 CB PRO 18 9.355 -10.190 -6.293 0.000 +ATOM 34 CA PRO 19 8.986 -5.617 -6.044 0.000 +ATOM 35 CB PRO 19 9.042 -5.572 -4.701 0.000 +ATOM 36 CA SER 20 10.727 -4.281 -9.146 0.000 +ATOM 37 CB SER 20 10.000 -3.715 -9.834 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