X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40034.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40034.pdb;h=bea1ac63efbfb84859b262d8f3270f19dc1a104f;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@034.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@034.pdb new file mode 100644 index 0000000..bea1ac6 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@034.pdb @@ -0,0 +1,63 @@ +REMARK GM 34 e 3307731 m 14091 ENERGY -2.12979E+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 4.285 1.406 0.790 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.339 -4.670 1.140 0.000 +ATOM 5 CA TYR 3 1.483 -4.121 -2.792 0.000 +ATOM 6 CB TYR 3 -0.452 -3.084 -3.955 0.000 +ATOM 7 CA ILE 4 2.582 -7.669 -3.593 0.000 +ATOM 8 CB ILE 4 4.084 -7.940 -2.685 0.000 +ATOM 9 CA GLN 5 0.665 -9.089 -0.635 0.000 +ATOM 10 CB GLN 5 2.136 -9.537 0.995 0.000 +ATOM 11 CA TRP 6 -2.327 -6.876 -1.401 0.000 +ATOM 12 CB TRP 6 -3.416 -4.511 -1.482 0.000 +ATOM 13 CA LEU 7 -2.314 -7.890 -5.063 0.000 +ATOM 14 CB LEU 7 -2.588 -6.466 -6.350 0.000 +ATOM 15 CA LYS 8 -1.668 -11.524 -4.159 0.000 +ATOM 16 CB LYS 8 -1.117 -11.754 -1.689 0.000 +ATOM 17 CA ASP 9 -4.827 -11.691 -2.054 0.000 +ATOM 18 CB ASP 9 -6.212 -11.735 -1.055 0.000 +ATOM 19 CA GLY 10 -7.109 -11.760 -5.092 0.000 +ATOM 20 CA GLY 11 -8.907 -14.724 -6.650 0.000 +ATOM 21 CA PRO 12 -8.049 -18.383 -6.092 0.000 +ATOM 22 CB PRO 12 -9.214 -18.570 -6.737 0.000 +ATOM 23 CA SER 13 -4.710 -19.381 -7.606 0.000 +ATOM 24 CB SER 13 -4.612 -20.470 -7.963 0.000 +ATOM 25 CA SER 14 -5.847 -17.991 -10.955 0.000 +ATOM 26 CB SER 14 -6.989 -17.903 -11.054 0.000 +ATOM 27 CA GLY 15 -5.336 -14.436 -9.713 0.000 +ATOM 28 CA ARG 16 -3.948 -14.966 -6.216 0.000 +ATOM 29 CB ARG 16 -1.567 -14.140 -7.881 0.000 +ATOM 30 CA PRO 17 -5.659 -16.219 -3.063 0.000 +ATOM 31 CB PRO 17 -4.631 -15.591 -2.464 0.000 +ATOM 32 CA PRO 18 -9.049 -14.847 -2.031 0.000 +ATOM 33 CB PRO 18 -9.530 -15.961 -2.612 0.000 +ATOM 34 CA PRO 19 -9.802 -14.405 1.668 0.000 +ATOM 35 CB PRO 19 -10.243 -13.192 1.288 0.000 +ATOM 36 CA SER 20 -12.462 -17.118 1.658 0.000 +ATOM 37 CB SER 20 -13.138 -17.165 0.729 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