X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40031.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40031.pdb;h=3b5523035299e2975b68cbb8c80832bffbcb598d;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=0000000000000000000000000000000000000000;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@031.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@031.pdb new file mode 100644 index 0000000..3b55230 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@031.pdb @@ -0,0 +1,62 @@ +REMARK GM 31 e 4636857 m 18414 ENERGY -1.86488E+02 +HELIX 1 H1 LEU 2 GLY 10 1 8 +HELIX 2 H2 GLY 11 PRO 17 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.371 0.265 1.562 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.826 -5.685 0.361 0.000 +ATOM 5 CA TYR 3 1.499 -4.087 -2.809 0.000 +ATOM 6 CB TYR 3 0.612 -1.767 -2.856 0.000 +ATOM 7 CA ILE 4 4.069 -3.183 -5.458 0.000 +ATOM 8 CB ILE 4 4.240 -1.530 -6.084 0.000 +ATOM 9 CA GLN 5 6.640 -5.552 -3.970 0.000 +ATOM 10 CB GLN 5 7.405 -4.246 -2.318 0.000 +ATOM 11 CA TRP 6 3.981 -8.213 -3.428 0.000 +ATOM 12 CB TRP 6 3.100 -10.369 -2.262 0.000 +ATOM 13 CA LEU 7 2.501 -7.613 -6.877 0.000 +ATOM 14 CB LEU 7 0.962 -6.571 -6.323 0.000 +ATOM 15 CA LYS 8 5.955 -7.573 -8.460 0.000 +ATOM 16 CB LYS 8 6.770 -5.168 -8.385 0.000 +ATOM 17 CA ASP 9 6.878 -10.920 -6.914 0.000 +ATOM 18 CB ASP 9 6.999 -10.433 -5.281 0.000 +ATOM 19 CA GLY 10 4.870 -12.910 -9.454 0.000 +ATOM 20 CA GLY 11 1.481 -14.629 -9.460 0.000 +ATOM 21 CA PRO 12 2.406 -17.021 -6.656 0.000 +ATOM 22 CB PRO 12 3.533 -17.303 -7.335 0.000 +ATOM 23 CA SER 13 3.419 -14.124 -4.416 0.000 +ATOM 24 CB SER 13 3.964 -13.285 -4.984 0.000 +ATOM 25 CA SER 14 -0.005 -12.523 -4.805 0.000 +ATOM 26 CB SER 14 0.505 -11.598 -5.261 0.000 +ATOM 27 CA GLY 15 -1.833 -15.740 -3.940 0.000 +ATOM 28 CA ARG 16 0.273 -16.507 -0.871 0.000 +ATOM 29 CB ARG 16 2.786 -16.845 -2.513 0.000 +ATOM 30 CA PRO 17 0.303 -14.402 2.292 0.000 +ATOM 31 CB PRO 17 0.601 -15.621 2.775 0.000 +ATOM 32 CA PRO 18 2.064 -11.037 2.163 0.000 +ATOM 33 CB PRO 18 0.926 -10.609 2.739 0.000 +ATOM 34 CA PRO 19 5.425 -10.727 3.908 0.000 +ATOM 35 CB PRO 19 5.863 -10.450 2.667 0.000 +ATOM 36 CA SER 20 4.441 -7.500 5.657 0.000 +ATOM 37 CB SER 20 3.876 -6.742 5.003 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