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%40025.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40025.pdb;h=1f437f13ab67e24ac64cb7d247e3fd416ac8b0f4;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@025.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@025.pdb new file mode 100644 index 0000000..1f437f1 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@025.pdb @@ -0,0 +1,61 @@ +REMARK GM 25 e 1078408 m 3355 ENERGY -8.81824E+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 4.191 1.493 0.673 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.550 -5.650 0.261 0.000 +ATOM 5 CA TYR 3 1.357 -4.045 -2.679 0.000 +ATOM 6 CB TYR 3 0.815 -1.626 -2.524 0.000 +ATOM 7 CA ILE 4 3.945 -3.697 -5.440 0.000 +ATOM 8 CB ILE 4 4.287 -2.182 -6.302 0.000 +ATOM 9 CA GLN 5 6.218 -6.166 -3.658 0.000 +ATOM 10 CB GLN 5 7.230 -4.600 -2.416 0.000 +ATOM 11 CA TRP 6 3.250 -8.453 -3.026 0.000 +ATOM 12 CB TRP 6 1.714 -10.542 -2.775 0.000 +ATOM 13 CA LEU 7 1.938 -7.915 -6.552 0.000 +ATOM 14 CB LEU 7 0.457 -6.868 -5.866 0.000 +ATOM 15 CA LYS 8 5.324 -8.831 -8.013 0.000 +ATOM 16 CB LYS 8 5.877 -6.471 -8.773 0.000 +ATOM 17 CA ASP 9 5.978 -11.429 -5.318 0.000 +ATOM 18 CB ASP 9 6.505 -10.206 -4.248 0.000 +ATOM 19 CA GLY 10 3.068 -13.585 -6.470 0.000 +ATOM 20 CA GLY 11 -0.494 -12.275 -6.296 0.000 +ATOM 21 CA PRO 12 -3.095 -11.470 -3.645 0.000 +ATOM 22 CB PRO 12 -4.057 -12.293 -4.099 0.000 +ATOM 23 CA SER 13 -2.634 -13.997 -0.844 0.000 +ATOM 24 CB SER 13 -3.583 -14.542 -0.492 0.000 +ATOM 25 CA SER 14 -1.447 -16.638 -3.305 0.000 +ATOM 26 CB SER 14 -1.460 -16.210 -4.372 0.000 +ATOM 27 CA GLY 15 2.209 -15.804 -2.688 0.000 +ATOM 28 CA ARG 16 3.343 -13.437 0.060 0.000 +ATOM 29 CB ARG 16 4.909 -10.884 -0.327 0.000 +ATOM 30 CA PRO 17 1.068 -11.206 2.130 0.000 +ATOM 31 CB PRO 17 2.197 -10.940 2.810 0.000 +ATOM 32 CA PRO 18 -0.661 -8.234 0.513 0.000 +ATOM 33 CB PRO 18 -1.438 -9.236 0.064 0.000 +ATOM 34 CA PRO 19 -1.788 -5.027 2.213 0.000 +ATOM 35 CB PRO 19 -0.859 -4.217 1.676 0.000 +ATOM 36 CA SER 20 -3.789 -3.856 -0.797 0.000 +ATOM 37 CB SER 20 -3.152 -3.835 -1.754 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