X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40016.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40016.pdb;h=90cab93936da5d762583f7af455a7eae89ce50e6;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@016.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@016.pdb new file mode 100644 index 0000000..90cab93 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@016.pdb @@ -0,0 +1,64 @@ +REMARK GM 16 e 858111 m 3343 ENERGY -2.04363E+02 +SHEET 1 B1 2 GLN 5 LEU 7 0 +SHEET 2 B1 2 GLY 10 PRO 12 -1 N PRO 12 O GLN 5 +SHEET 1 B2 2 ASP 9 GLY 11 0 +SHEET 2 B2 2 SER 14 ARG 16 -1 N ARG 16 O ASP 9 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.262 1.425 0.770 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.058 -4.993 1.131 0.000 +ATOM 5 CA TYR 3 1.508 -4.130 -2.814 0.000 +ATOM 6 CB TYR 3 -0.043 -2.510 -3.882 0.000 +ATOM 7 CA ILE 4 2.510 -7.732 -3.494 0.000 +ATOM 8 CB ILE 4 3.786 -8.573 -2.590 0.000 +ATOM 9 CA GLN 5 0.568 -9.027 -0.496 0.000 +ATOM 10 CB GLN 5 0.697 -8.422 1.657 0.000 +ATOM 11 CA TRP 6 -2.308 -6.643 -1.192 0.000 +ATOM 12 CB TRP 6 -3.747 -4.482 -0.977 0.000 +ATOM 13 CA LEU 7 -2.688 -7.829 -4.782 0.000 +ATOM 14 CB LEU 7 -2.261 -6.301 -5.896 0.000 +ATOM 15 CA LYS 8 -2.887 -11.480 -3.749 0.000 +ATOM 16 CB LYS 8 -0.889 -11.356 -2.183 0.000 +ATOM 17 CA ASP 9 -6.507 -11.668 -4.890 0.000 +ATOM 18 CB ASP 9 -7.805 -11.774 -3.783 0.000 +ATOM 19 CA GLY 10 -7.005 -7.985 -4.097 0.000 +ATOM 20 CA GLY 11 -5.915 -8.351 -0.475 0.000 +ATOM 21 CA PRO 12 -4.409 -11.786 0.138 0.000 +ATOM 22 CB PRO 12 -3.526 -11.187 0.956 0.000 +ATOM 23 CA SER 13 -7.761 -13.314 -0.794 0.000 +ATOM 24 CB SER 13 -8.189 -14.055 -0.025 0.000 +ATOM 25 CA SER 14 -9.697 -10.277 0.417 0.000 +ATOM 26 CB SER 14 -8.910 -10.213 1.253 0.000 +ATOM 27 CA GLY 15 -11.105 -9.332 -2.983 0.000 +ATOM 28 CA ARG 16 -11.851 -12.891 -4.086 0.000 +ATOM 29 CB ARG 16 -10.587 -11.561 -6.484 0.000 +ATOM 30 CA PRO 17 -14.802 -14.782 -2.616 0.000 +ATOM 31 CB PRO 17 -14.737 -15.310 -3.851 0.000 +ATOM 32 CA PRO 18 -14.397 -16.288 0.849 0.000 +ATOM 33 CB PRO 18 -15.496 -15.549 1.084 0.000 +ATOM 34 CA PRO 19 -14.080 -20.065 1.126 0.000 +ATOM 35 CB PRO 19 -12.816 -19.884 1.548 0.000 +ATOM 36 CA SER 20 -16.374 -20.244 4.150 0.000 +ATOM 37 CB SER 20 -16.217 -19.451 4.967 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