X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40048.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40048.pdb;h=dd366bb806a68dd0f62d75f7807b1e11322a1d3c;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@048.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@048.pdb new file mode 100644 index 0000000..dd366bb --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@048.pdb @@ -0,0 +1,63 @@ +REMARK GM 48 e 5411869 m 23749 ENERGY -2.13656E+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 4.378 0.213 1.567 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.288 -4.666 1.201 0.000 +ATOM 5 CA TYR 3 1.595 -4.115 -2.890 0.000 +ATOM 6 CB TYR 3 -0.293 -3.077 -4.127 0.000 +ATOM 7 CA ILE 4 2.724 -7.661 -3.655 0.000 +ATOM 8 CB ILE 4 4.187 -7.930 -2.684 0.000 +ATOM 9 CA GLN 5 0.694 -9.087 -0.776 0.000 +ATOM 10 CB GLN 5 2.089 -9.529 0.920 0.000 +ATOM 11 CA TRP 6 -2.267 -6.873 -1.654 0.000 +ATOM 12 CB TRP 6 -3.347 -4.505 -1.770 0.000 +ATOM 13 CA LEU 7 -2.112 -7.880 -5.315 0.000 +ATOM 14 CB LEU 7 -2.330 -6.455 -6.612 0.000 +ATOM 15 CA LYS 8 -1.494 -11.514 -4.394 0.000 +ATOM 16 CB LYS 8 -1.054 -11.755 -1.902 0.000 +ATOM 17 CA ASP 9 -4.731 -11.691 -2.411 0.000 +ATOM 18 CB ASP 9 -6.152 -11.744 -1.464 0.000 +ATOM 19 CA GLY 10 -6.896 -11.732 -5.534 0.000 +ATOM 20 CA GLY 11 -8.633 -14.686 -7.177 0.000 +ATOM 21 CA PRO 12 -7.827 -18.350 -6.574 0.000 +ATOM 22 CB PRO 12 -8.491 -18.839 -7.636 0.000 +ATOM 23 CA SER 13 -4.466 -19.261 -8.096 0.000 +ATOM 24 CB SER 13 -4.355 -20.335 -8.491 0.000 +ATOM 25 CA SER 14 -5.574 -17.764 -11.409 0.000 +ATOM 26 CB SER 14 -6.714 -17.643 -11.504 0.000 +ATOM 27 CA GLY 15 -4.977 -14.255 -10.080 0.000 +ATOM 28 CA ARG 16 -3.692 -14.915 -6.565 0.000 +ATOM 29 CB ARG 16 -1.246 -14.111 -8.143 0.000 +ATOM 30 CA PRO 17 -5.527 -16.209 -3.499 0.000 +ATOM 31 CB PRO 17 -4.529 -15.587 -2.846 0.000 +ATOM 32 CA PRO 18 -8.941 -14.831 -2.556 0.000 +ATOM 33 CB PRO 18 -9.385 -15.862 -3.297 0.000 +ATOM 34 CA PRO 19 -9.857 -14.562 1.122 0.000 +ATOM 35 CB PRO 19 -10.225 -13.312 0.789 0.000 +ATOM 36 CA SER 20 -12.568 -17.211 0.849 0.000 +ATOM 37 CB SER 20 -13.202 -17.195 -0.110 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