X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40017.pdb;fp=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40017.pdb;h=658846e666dc10825fc40f8b50013acec3174206;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=0000000000000000000000000000000000000000;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git diff --git a/examples/unres/CSA/4P/CSA/output/1l2y_csa@017.pdb b/examples/unres/CSA/4P/CSA/output/1l2y_csa@017.pdb new file mode 100644 index 0000000..658846e --- /dev/null +++ b/examples/unres/CSA/4P/CSA/output/1l2y_csa@017.pdb @@ -0,0 +1,62 @@ +REMARK GM 17 e 453103 m 1675 ENERGY -1.73128E+02 +SHEET 1 B1 2 ASN 1 TYR 3 0 +SHEET 2 B1 2 TRP 6 LYS 8 -1 N LYS 8 O ASN 1 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.243 1.461 0.712 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.516 -5.515 0.720 0.000 +ATOM 5 CA TYR 3 5.109 -5.320 -3.311 0.000 +ATOM 6 CB TYR 3 7.520 -5.160 -3.886 0.000 +ATOM 7 CA ILE 4 5.857 -8.684 -1.709 0.000 +ATOM 8 CB ILE 4 7.510 -9.117 -1.226 0.000 +ATOM 9 CA GLN 5 2.213 -9.761 -1.720 0.000 +ATOM 10 CB GLN 5 0.250 -8.859 -1.128 0.000 +ATOM 11 CA TRP 6 1.333 -7.232 -4.415 0.000 +ATOM 12 CB TRP 6 3.599 -7.612 -5.643 0.000 +ATOM 13 CA LEU 7 -0.166 -4.751 -1.958 0.000 +ATOM 14 CB LEU 7 -0.846 -4.021 -0.295 0.000 +ATOM 15 CA LYS 8 1.005 -1.793 -4.035 0.000 +ATOM 16 CB LYS 8 3.487 -1.617 -3.520 0.000 +ATOM 17 CA ASP 9 -1.161 -2.755 -7.006 0.000 +ATOM 18 CB ASP 9 -1.581 -4.315 -6.448 0.000 +ATOM 19 CA GLY 10 -4.156 -0.840 -5.664 0.000 +ATOM 20 CA GLY 11 -5.585 -3.808 -3.769 0.000 +ATOM 21 CA PRO 12 -3.820 -6.855 -2.342 0.000 +ATOM 22 CB PRO 12 -4.935 -6.857 -1.589 0.000 +ATOM 23 CA SER 13 -2.067 -9.109 -4.849 0.000 +ATOM 24 CB SER 13 -1.523 -8.815 -5.818 0.000 +ATOM 25 CA SER 14 -0.235 -12.371 -4.184 0.000 +ATOM 26 CB SER 14 -0.940 -13.278 -4.142 0.000 +ATOM 27 CA GLY 15 2.197 -13.846 -6.704 0.000 +ATOM 28 CA ARG 16 1.152 -15.380 -10.019 0.000 +ATOM 29 CB ARG 16 1.325 -18.363 -10.463 0.000 +ATOM 30 CA PRO 17 -2.243 -16.882 -10.833 0.000 +ATOM 31 CB PRO 17 -1.956 -16.274 -11.997 0.000 +ATOM 32 CA PRO 18 -2.874 -20.478 -9.779 0.000 +ATOM 33 CB PRO 18 -3.975 -19.937 -9.227 0.000 +ATOM 34 CA PRO 19 -2.977 -23.130 -12.498 0.000 +ATOM 35 CB PRO 19 -1.822 -23.574 -11.971 0.000 +ATOM 36 CA SER 20 -6.082 -24.776 -11.052 0.000 +ATOM 37 CB SER 20 -6.112 -24.850 -9.905 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