X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40047.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40047.pdb;h=f78a0a260036e9ba3d429e2b8dbd1f402b9583e4;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@047.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@047.pdb new file mode 100644 index 0000000..f78a0a2 --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@047.pdb @@ -0,0 +1,63 @@ +REMARK GM 47 e 5321351 m 23343 ENERGY -2.13652E+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 4.379 0.214 1.567 0.000 +ATOM 3 CA LEU 2 4.041 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.330 -4.666 1.155 0.000 +ATOM 5 CA TYR 3 1.486 -4.122 -2.793 0.000 +ATOM 6 CB TYR 3 -0.443 -3.082 -3.963 0.000 +ATOM 7 CA ILE 4 2.571 -7.678 -3.578 0.000 +ATOM 8 CB ILE 4 4.071 -7.947 -2.666 0.000 +ATOM 9 CA GLN 5 0.649 -9.077 -0.613 0.000 +ATOM 10 CB GLN 5 2.122 -9.547 1.007 0.000 +ATOM 11 CA TRP 6 -2.336 -6.856 -1.390 0.000 +ATOM 12 CB TRP 6 -3.398 -4.479 -1.477 0.000 +ATOM 13 CA LEU 7 -2.324 -7.886 -5.048 0.000 +ATOM 14 CB LEU 7 -2.595 -6.467 -6.341 0.000 +ATOM 15 CA LYS 8 -1.691 -11.518 -4.127 0.000 +ATOM 16 CB LYS 8 -1.155 -11.751 -1.655 0.000 +ATOM 17 CA ASP 9 -4.850 -11.663 -2.020 0.000 +ATOM 18 CB ASP 9 -6.226 -11.717 -1.008 0.000 +ATOM 19 CA GLY 10 -7.135 -11.714 -5.055 0.000 +ATOM 20 CA GLY 11 -8.946 -14.670 -6.612 0.000 +ATOM 21 CA PRO 12 -8.135 -18.334 -6.018 0.000 +ATOM 22 CB PRO 12 -8.842 -18.824 -7.052 0.000 +ATOM 23 CA SER 13 -4.839 -19.270 -7.661 0.000 +ATOM 24 CB SER 13 -4.748 -20.347 -8.053 0.000 +ATOM 25 CA SER 14 -6.064 -17.789 -10.939 0.000 +ATOM 26 CB SER 14 -7.206 -17.664 -10.992 0.000 +ATOM 27 CA GLY 15 -5.404 -14.274 -9.654 0.000 +ATOM 28 CA ARG 16 -3.989 -14.922 -6.187 0.000 +ATOM 29 CB ARG 16 -1.602 -14.136 -7.863 0.000 +ATOM 30 CA PRO 17 -5.711 -16.186 -3.044 0.000 +ATOM 31 CB PRO 17 -4.683 -15.568 -2.434 0.000 +ATOM 32 CA PRO 18 -9.078 -14.781 -1.981 0.000 +ATOM 33 CB PRO 18 -9.553 -15.814 -2.700 0.000 +ATOM 34 CA PRO 19 -9.832 -14.447 1.729 0.000 +ATOM 35 CB PRO 19 -10.239 -13.209 1.394 0.000 +ATOM 36 CA SER 20 -12.553 -17.097 1.622 0.000 +ATOM 37 CB SER 20 -13.228 -17.098 0.691 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