X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40046.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40046.pdb;h=9426e2d01a44750c0d9d4c34d0680f6564b673b5;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@046.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@046.pdb new file mode 100644 index 0000000..9426e2d --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@046.pdb @@ -0,0 +1,63 @@ +REMARK GM 46 e 5314669 m 23317 ENERGY -2.13559E+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 5.292 -4.668 1.195 0.000 +ATOM 5 CA TYR 3 1.583 -4.115 -2.880 0.000 +ATOM 6 CB TYR 3 -0.307 -3.076 -4.111 0.000 +ATOM 7 CA ILE 4 2.702 -7.666 -3.641 0.000 +ATOM 8 CB ILE 4 4.171 -7.935 -2.680 0.000 +ATOM 9 CA GLN 5 0.682 -9.081 -0.751 0.000 +ATOM 10 CB GLN 5 2.101 -9.565 0.914 0.000 +ATOM 11 CA TRP 6 -2.278 -6.863 -1.620 0.000 +ATOM 12 CB TRP 6 -3.346 -4.489 -1.737 0.000 +ATOM 13 CA LEU 7 -2.139 -7.875 -5.280 0.000 +ATOM 14 CB LEU 7 -2.371 -6.452 -6.576 0.000 +ATOM 15 CA LYS 8 -1.523 -11.509 -4.355 0.000 +ATOM 16 CB LYS 8 -1.110 -11.749 -1.859 0.000 +ATOM 17 CA ASP 9 -4.746 -11.673 -2.348 0.000 +ATOM 18 CB ASP 9 -6.195 -11.651 -1.442 0.000 +ATOM 19 CA GLY 10 -6.938 -11.677 -5.452 0.000 +ATOM 20 CA GLY 11 -8.732 -14.603 -7.083 0.000 +ATOM 21 CA PRO 12 -7.942 -18.277 -6.523 0.000 +ATOM 22 CB PRO 12 -8.624 -18.755 -7.579 0.000 +ATOM 23 CA SER 13 -4.619 -19.201 -8.118 0.000 +ATOM 24 CB SER 13 -4.525 -20.272 -8.527 0.000 +ATOM 25 CA SER 14 -5.771 -17.657 -11.393 0.000 +ATOM 26 CB SER 14 -6.911 -17.518 -11.463 0.000 +ATOM 27 CA GLY 15 -5.100 -14.169 -10.043 0.000 +ATOM 28 CA ARG 16 -3.767 -14.871 -6.555 0.000 +ATOM 29 CB ARG 16 -1.336 -14.087 -8.166 0.000 +ATOM 30 CA PRO 17 -5.581 -16.186 -3.486 0.000 +ATOM 31 CB PRO 17 -4.594 -15.562 -2.819 0.000 +ATOM 32 CA PRO 18 -8.967 -14.813 -2.440 0.000 +ATOM 33 CB PRO 18 -9.469 -15.756 -3.258 0.000 +ATOM 34 CA PRO 19 -10.075 -15.106 1.183 0.000 +ATOM 35 CB PRO 19 -8.986 -14.379 1.490 0.000 +ATOM 36 CA SER 20 -13.649 -15.987 0.237 0.000 +ATOM 37 CB SER 20 -14.115 -15.386 -0.625 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