X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40012.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40012.pdb;h=af984e7f432951de92dd33bcdcb2e3dcdb3ac5d3;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@012.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@012.pdb new file mode 100644 index 0000000..af984e7 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@012.pdb @@ -0,0 +1,62 @@ +REMARK GM 12 e 327369 m 1204 ENERGY -1.94422E+02 +SHEET 1 B1 2 GLN 5 LEU 7 0 +SHEET 2 B1 2 GLY 10 PRO 12 -1 N PRO 12 O GLN 5 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.262 1.425 0.770 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.069 -4.993 1.122 0.000 +ATOM 5 CA TYR 3 1.478 -4.132 -2.787 0.000 +ATOM 6 CB TYR 3 -0.091 -2.515 -3.833 0.000 +ATOM 7 CA ILE 4 2.485 -7.728 -3.488 0.000 +ATOM 8 CB ILE 4 3.749 -8.584 -2.580 0.000 +ATOM 9 CA GLN 5 0.597 -9.035 -0.460 0.000 +ATOM 10 CB GLN 5 0.619 -8.413 1.692 0.000 +ATOM 11 CA TRP 6 -2.318 -6.691 -1.129 0.000 +ATOM 12 CB TRP 6 -3.699 -4.489 -0.962 0.000 +ATOM 13 CA LEU 7 -2.700 -7.870 -4.721 0.000 +ATOM 14 CB LEU 7 -2.294 -6.333 -5.831 0.000 +ATOM 15 CA LYS 8 -2.895 -11.523 -3.693 0.000 +ATOM 16 CB LYS 8 -1.050 -11.457 -1.947 0.000 +ATOM 17 CA ASP 9 -6.554 -11.694 -4.705 0.000 +ATOM 18 CB ASP 9 -6.919 -11.719 -3.036 0.000 +ATOM 19 CA GLY 10 -7.001 -7.992 -3.974 0.000 +ATOM 20 CA GLY 11 -6.041 -8.420 -0.322 0.000 +ATOM 21 CA PRO 12 -4.351 -11.761 0.328 0.000 +ATOM 22 CB PRO 12 -3.685 -10.982 1.199 0.000 +ATOM 23 CA SER 13 -6.507 -14.871 0.677 0.000 +ATOM 24 CB SER 13 -7.285 -15.665 0.970 0.000 +ATOM 25 CA SER 14 -9.391 -13.496 -1.380 0.000 +ATOM 26 CB SER 14 -10.135 -14.355 -1.555 0.000 +ATOM 27 CA GLY 15 -9.713 -10.310 0.665 0.000 +ATOM 28 CA ARG 16 -8.153 -11.675 3.850 0.000 +ATOM 29 CB ARG 16 -11.101 -11.501 4.484 0.000 +ATOM 30 CA PRO 17 -4.551 -11.724 5.060 0.000 +ATOM 31 CB PRO 17 -5.167 -11.159 6.114 0.000 +ATOM 32 CA PRO 18 -2.558 -14.951 4.822 0.000 +ATOM 33 CB PRO 18 -1.883 -14.225 3.912 0.000 +ATOM 34 CA PRO 19 -1.694 -16.745 8.058 0.000 +ATOM 35 CB PRO 19 -2.545 -17.652 7.546 0.000 +ATOM 36 CA SER 20 1.977 -17.084 8.979 0.000 +ATOM 37 CB SER 20 2.198 -16.743 10.055 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