X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40018.pdb;fp=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40018.pdb;h=cf750397e1026dd29c122b66f677b55bd6929862;hb=6c23f8d4f1fe8f0479fb8c6b16ff17e6c59c03d2;hp=0000000000000000000000000000000000000000;hpb=c6cc12f77df252d56c9480ce4822c58fc8981c32;p=unres.git diff --git a/examples/unres/CSA/4P/CSA/output/1l2y_csa@018.pdb b/examples/unres/CSA/4P/CSA/output/1l2y_csa@018.pdb new file mode 100644 index 0000000..cf75039 --- /dev/null +++ b/examples/unres/CSA/4P/CSA/output/1l2y_csa@018.pdb @@ -0,0 +1,62 @@ +REMARK GM 18 e 567279 m 2114 ENERGY -1.73130E+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 5.108 -5.321 -3.311 0.000 +ATOM 6 CB TYR 3 7.521 -5.168 -3.882 0.000 +ATOM 7 CA ILE 4 5.854 -8.685 -1.708 0.000 +ATOM 8 CB ILE 4 7.506 -9.116 -1.219 0.000 +ATOM 9 CA GLN 5 2.209 -9.760 -1.718 0.000 +ATOM 10 CB GLN 5 0.247 -8.856 -1.129 0.000 +ATOM 11 CA TRP 6 1.331 -7.230 -4.414 0.000 +ATOM 12 CB TRP 6 3.595 -7.610 -5.646 0.000 +ATOM 13 CA LEU 7 -0.165 -4.748 -1.957 0.000 +ATOM 14 CB LEU 7 -0.843 -4.016 -0.294 0.000 +ATOM 15 CA LYS 8 1.007 -1.791 -4.037 0.000 +ATOM 16 CB LYS 8 3.488 -1.616 -3.518 0.000 +ATOM 17 CA ASP 9 -1.157 -2.757 -7.007 0.000 +ATOM 18 CB ASP 9 -1.571 -4.320 -6.452 0.000 +ATOM 19 CA GLY 10 -4.153 -0.838 -5.671 0.000 +ATOM 20 CA GLY 11 -5.586 -3.801 -3.773 0.000 +ATOM 21 CA PRO 12 -3.822 -6.848 -2.342 0.000 +ATOM 22 CB PRO 12 -4.937 -6.849 -1.590 0.000 +ATOM 23 CA SER 13 -2.069 -9.104 -4.847 0.000 +ATOM 24 CB SER 13 -1.508 -8.841 -5.816 0.000 +ATOM 25 CA SER 14 -0.242 -12.369 -4.183 0.000 +ATOM 26 CB SER 14 -0.949 -13.275 -4.143 0.000 +ATOM 27 CA GLY 15 2.192 -13.845 -6.701 0.000 +ATOM 28 CA ARG 16 1.147 -15.374 -10.019 0.000 +ATOM 29 CB ARG 16 1.315 -18.356 -10.464 0.000 +ATOM 30 CA PRO 17 -2.251 -16.868 -10.835 0.000 +ATOM 31 CB PRO 17 -1.961 -16.258 -11.999 0.000 +ATOM 32 CA PRO 18 -2.890 -20.463 -9.785 0.000 +ATOM 33 CB PRO 18 -3.990 -19.920 -9.234 0.000 +ATOM 34 CA PRO 19 -2.997 -23.112 -12.508 0.000 +ATOM 35 CB PRO 19 -1.842 -23.557 -11.981 0.000 +ATOM 36 CA SER 20 -6.104 -24.755 -11.064 0.000 +ATOM 37 CB SER 20 -6.134 -24.831 -9.917 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