X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40039.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40039.pdb;h=c5d2170236e2b9704413a829ebc349759abef764;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@039.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@039.pdb new file mode 100644 index 0000000..c5d2170 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@039.pdb @@ -0,0 +1,61 @@ +REMARK GM 39 e 3441722 m 11496 ENERGY -9.22334E+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 0.445 0.133 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.535 -5.614 -0.409 0.000 +ATOM 5 CA TYR 3 6.129 -3.748 -3.185 0.000 +ATOM 6 CB TYR 3 5.983 -1.309 -3.632 0.000 +ATOM 7 CA ILE 4 9.334 -3.141 -1.237 0.000 +ATOM 8 CB ILE 4 10.042 -1.536 -0.960 0.000 +ATOM 9 CA GLN 5 8.318 -5.723 1.359 0.000 +ATOM 10 CB GLN 5 7.147 -4.174 2.476 0.000 +ATOM 11 CA TRP 6 7.199 -8.078 -1.406 0.000 +ATOM 12 CB TRP 6 5.677 -10.078 -2.092 0.000 +ATOM 13 CA LEU 7 10.291 -7.236 -3.448 0.000 +ATOM 14 CB LEU 7 9.112 -6.627 -4.862 0.000 +ATOM 15 CA LYS 8 12.509 -7.871 -0.429 0.000 +ATOM 16 CB LYS 8 12.945 -5.483 0.322 0.000 +ATOM 17 CA ASP 9 10.716 -11.125 0.371 0.000 +ATOM 18 CB ASP 9 9.297 -10.385 0.970 0.000 +ATOM 19 CA GLY 10 12.493 -12.835 -2.520 0.000 +ATOM 20 CA GLY 11 11.092 -11.001 -5.539 0.000 +ATOM 21 CA PRO 12 7.483 -12.153 -5.239 0.000 +ATOM 22 CB PRO 12 6.988 -11.076 -5.875 0.000 +ATOM 23 CA SER 13 8.483 -15.542 -3.840 0.000 +ATOM 24 CB SER 13 9.609 -15.666 -3.644 0.000 +ATOM 25 CA SER 14 7.495 -14.693 -0.270 0.000 +ATOM 26 CB SER 14 7.204 -13.590 -0.129 0.000 +ATOM 27 CA GLY 15 4.307 -16.004 1.329 0.000 +ATOM 28 CA ARG 16 2.285 -12.872 0.589 0.000 +ATOM 29 CB ARG 16 4.080 -10.552 1.307 0.000 +ATOM 30 CA PRO 17 0.602 -11.744 -2.625 0.000 +ATOM 31 CB PRO 17 0.192 -10.731 -1.840 0.000 +ATOM 32 CA PRO 18 2.766 -10.733 -5.580 0.000 +ATOM 33 CB PRO 18 1.983 -11.612 -6.231 0.000 +ATOM 34 CA PRO 19 2.855 -7.067 -6.577 0.000 +ATOM 35 CB PRO 19 3.746 -6.999 -5.572 0.000 +ATOM 36 CA SER 20 4.229 -7.803 -10.043 0.000 +ATOM 37 CB SER 20 5.202 -8.414 -10.001 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