X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40036.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40036.pdb;h=08e5e0aa388e49551803c6ac9a2fab0ea2d910ae;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@036.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@036.pdb new file mode 100644 index 0000000..08e5e0a --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@036.pdb @@ -0,0 +1,63 @@ +REMARK GM 36 e 3704428 m 15911 ENERGY -2.13248E+02 +HELIX 1 H1 TYR 3 GLY 10 1 7 +SHEET 1 B1 2 GLY 11 SER 13 0 +SHEET 2 B1 2 ARG 16 PRO 18 -1 N PRO 18 O GLY 11 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.375 0.203 1.570 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.285 -4.656 1.211 0.000 +ATOM 5 CA TYR 3 1.614 -4.113 -2.907 0.000 +ATOM 6 CB TYR 3 -0.269 -3.081 -4.156 0.000 +ATOM 7 CA ILE 4 2.757 -7.655 -3.674 0.000 +ATOM 8 CB ILE 4 4.215 -7.916 -2.693 0.000 +ATOM 9 CA GLN 5 0.710 -9.094 -0.814 0.000 +ATOM 10 CB GLN 5 2.105 -9.557 0.877 0.000 +ATOM 11 CA TRP 6 -2.248 -6.881 -1.703 0.000 +ATOM 12 CB TRP 6 -3.339 -4.518 -1.820 0.000 +ATOM 13 CA LEU 7 -2.067 -7.874 -5.366 0.000 +ATOM 14 CB LEU 7 -2.283 -6.452 -6.666 0.000 +ATOM 15 CA LYS 8 -1.455 -11.512 -4.453 0.000 +ATOM 16 CB LYS 8 -1.020 -11.755 -1.961 0.000 +ATOM 17 CA ASP 9 -4.711 -11.700 -2.503 0.000 +ATOM 18 CB ASP 9 -6.144 -11.744 -1.573 0.000 +ATOM 19 CA GLY 10 -6.844 -11.758 -5.647 0.000 +ATOM 20 CA GLY 11 -8.561 -14.715 -7.304 0.000 +ATOM 21 CA PRO 12 -7.722 -18.376 -6.723 0.000 +ATOM 22 CB PRO 12 -8.847 -18.564 -7.436 0.000 +ATOM 23 CA SER 13 -4.311 -19.360 -8.078 0.000 +ATOM 24 CB SER 13 -4.187 -20.445 -8.438 0.000 +ATOM 25 CA SER 14 -5.287 -17.958 -11.473 0.000 +ATOM 26 CB SER 14 -6.422 -17.867 -11.632 0.000 +ATOM 27 CA GLY 15 -4.852 -14.407 -10.190 0.000 +ATOM 28 CA ARG 16 -3.629 -14.952 -6.633 0.000 +ATOM 29 CB ARG 16 -1.166 -14.113 -8.166 0.000 +ATOM 30 CA PRO 17 -5.488 -16.224 -3.573 0.000 +ATOM 31 CB PRO 17 -4.490 -15.597 -2.924 0.000 +ATOM 32 CA PRO 18 -8.926 -14.864 -2.697 0.000 +ATOM 33 CB PRO 18 -9.377 -15.970 -3.315 0.000 +ATOM 34 CA PRO 19 -9.865 -14.460 0.963 0.000 +ATOM 35 CB PRO 19 -10.274 -13.239 0.576 0.000 +ATOM 36 CA SER 20 -12.512 -17.181 0.794 0.000 +ATOM 37 CB SER 20 -13.144 -17.227 -0.165 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