X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40030.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40030.pdb;h=f07a01849722c877084ad21289f9bf0843fb0cb2;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@030.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@030.pdb new file mode 100644 index 0000000..f07a018 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@030.pdb @@ -0,0 +1,63 @@ +REMARK GM 30 e 2660963 m 11136 ENERGY -2.12647E+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 5.300 -4.664 1.190 0.000 +ATOM 5 CA TYR 3 1.578 -4.116 -2.875 0.000 +ATOM 6 CB TYR 3 -0.321 -3.081 -4.098 0.000 +ATOM 7 CA ILE 4 2.706 -7.661 -3.648 0.000 +ATOM 8 CB ILE 4 4.178 -7.927 -2.691 0.000 +ATOM 9 CA GLN 5 0.693 -9.090 -0.759 0.000 +ATOM 10 CB GLN 5 2.116 -9.576 0.901 0.000 +ATOM 11 CA TRP 6 -2.274 -6.876 -1.619 0.000 +ATOM 12 CB TRP 6 -3.382 -4.522 -1.745 0.000 +ATOM 13 CA LEU 7 -2.137 -7.879 -5.281 0.000 +ATOM 14 CB LEU 7 -2.375 -6.455 -6.575 0.000 +ATOM 15 CA LYS 8 -1.508 -11.514 -4.367 0.000 +ATOM 16 CB LYS 8 -1.141 -11.731 -1.862 0.000 +ATOM 17 CA ASP 9 -4.721 -11.692 -2.346 0.000 +ATOM 18 CB ASP 9 -6.179 -11.640 -1.455 0.000 +ATOM 19 CA GLY 10 -6.935 -11.620 -5.434 0.000 +ATOM 20 CA GLY 11 -8.758 -14.488 -7.133 0.000 +ATOM 21 CA PRO 12 -7.944 -18.178 -6.727 0.000 +ATOM 22 CB PRO 12 -9.077 -18.336 -7.434 0.000 +ATOM 23 CA SER 13 -4.601 -19.140 -8.256 0.000 +ATOM 24 CB SER 13 -4.516 -20.208 -8.673 0.000 +ATOM 25 CA SER 14 -5.685 -17.569 -11.542 0.000 +ATOM 26 CB SER 14 -6.826 -17.463 -11.647 0.000 +ATOM 27 CA GLY 15 -5.147 -14.088 -10.117 0.000 +ATOM 28 CA ARG 16 -3.789 -14.803 -6.641 0.000 +ATOM 29 CB ARG 16 -1.107 -15.581 -5.490 0.000 +ATOM 30 CA PRO 17 -5.593 -16.177 -3.592 0.000 +ATOM 31 CB PRO 17 -4.596 -15.572 -2.923 0.000 +ATOM 32 CA PRO 18 -8.971 -14.822 -2.499 0.000 +ATOM 33 CB PRO 18 -9.530 -15.788 -3.249 0.000 +ATOM 34 CA PRO 19 -10.098 -15.269 1.102 0.000 +ATOM 35 CB PRO 19 -9.368 -14.183 1.414 0.000 +ATOM 36 CA SER 20 -12.997 -17.526 0.134 0.000 +ATOM 37 CB SER 20 -13.554 -17.252 -0.834 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