X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40028.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40028.pdb;h=4424d8774c07a463622a237122ca2a30cff73b41;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@028.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@028.pdb new file mode 100644 index 0000000..4424d87 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@028.pdb @@ -0,0 +1,63 @@ +REMARK GM 28 e 2316840 m 9573 ENERGY -2.12426E+02 +HELIX 1 H1 TYR 3 ASP 9 1 6 +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 4.288 1.404 0.792 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.370 -4.618 1.144 0.000 +ATOM 5 CA TYR 3 1.496 -4.120 -2.804 0.000 +ATOM 6 CB TYR 3 -0.478 -3.139 -3.950 0.000 +ATOM 7 CA ILE 4 2.618 -7.654 -3.635 0.000 +ATOM 8 CB ILE 4 4.152 -7.836 -2.759 0.000 +ATOM 9 CA GLN 5 0.619 -9.126 -0.758 0.000 +ATOM 10 CB GLN 5 0.943 -8.689 1.415 0.000 +ATOM 11 CA TRP 6 -2.355 -6.906 -1.573 0.000 +ATOM 12 CB TRP 6 -3.902 -4.821 -1.364 0.000 +ATOM 13 CA LEU 7 -2.331 -7.949 -5.226 0.000 +ATOM 14 CB LEU 7 -2.440 -6.506 -6.517 0.000 +ATOM 15 CA LYS 8 -2.049 -11.620 -4.284 0.000 +ATOM 16 CB LYS 8 0.010 -11.256 -2.839 0.000 +ATOM 17 CA ASP 9 -5.368 -11.549 -2.435 0.000 +ATOM 18 CB ASP 9 -6.808 -11.457 -1.519 0.000 +ATOM 19 CA GLY 10 -7.376 -10.759 -5.563 0.000 +ATOM 20 CA GLY 11 -10.670 -12.199 -6.793 0.000 +ATOM 21 CA PRO 12 -11.351 -15.724 -8.038 0.000 +ATOM 22 CB PRO 12 -12.616 -15.358 -7.761 0.000 +ATOM 23 CA SER 13 -8.634 -16.572 -10.555 0.000 +ATOM 24 CB SER 13 -8.980 -16.935 -11.590 0.000 +ATOM 25 CA SER 14 -8.271 -12.919 -11.539 0.000 +ATOM 26 CB SER 14 -8.923 -12.269 -10.850 0.000 +ATOM 27 CA GLY 15 -5.264 -12.490 -9.255 0.000 +ATOM 28 CA ARG 16 -5.430 -15.285 -6.686 0.000 +ATOM 29 CB ARG 16 -4.830 -14.762 -3.772 0.000 +ATOM 30 CA PRO 17 -8.391 -16.510 -4.644 0.000 +ATOM 31 CB PRO 17 -7.647 -17.631 -4.651 0.000 +ATOM 32 CA PRO 18 -10.015 -14.120 -2.176 0.000 +ATOM 33 CB PRO 18 -11.090 -14.370 -2.945 0.000 +ATOM 34 CA PRO 19 -9.600 -14.856 1.529 0.000 +ATOM 35 CB PRO 19 -8.288 -14.653 1.312 0.000 +ATOM 36 CA SER 20 -13.220 -14.012 2.320 0.000 +ATOM 37 CB SER 20 -13.651 -13.077 1.808 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