X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40027.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40027.pdb;h=29146cec000b23a6f71a1296b355dc08df264369;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@027.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@027.pdb new file mode 100644 index 0000000..29146ce --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@027.pdb @@ -0,0 +1,61 @@ +REMARK GM 27 e 1271032 m 3993 ENERGY -8.93247E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.439 0.371 0.116 0.000 +ATOM 3 CA LEU 2 4.059 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.807 -5.640 -0.529 0.000 +ATOM 5 CA TYR 3 6.160 -3.731 -3.166 0.000 +ATOM 6 CB TYR 3 5.808 -1.309 -3.591 0.000 +ATOM 7 CA ILE 4 9.342 -3.274 -1.139 0.000 +ATOM 8 CB ILE 4 10.123 -1.699 -0.883 0.000 +ATOM 9 CA GLN 5 8.209 -5.957 1.301 0.000 +ATOM 10 CB GLN 5 7.102 -4.509 2.603 0.000 +ATOM 11 CA TRP 6 7.149 -8.165 -1.604 0.000 +ATOM 12 CB TRP 6 6.735 -10.213 -3.159 0.000 +ATOM 13 CA LEU 7 10.304 -7.326 -3.548 0.000 +ATOM 14 CB LEU 7 9.272 -6.273 -4.807 0.000 +ATOM 15 CA LYS 8 12.461 -8.252 -0.560 0.000 +ATOM 16 CB LYS 8 13.149 -5.862 -0.041 0.000 +ATOM 17 CA ASP 9 10.124 -11.065 0.476 0.000 +ATOM 18 CB ASP 9 9.102 -9.943 1.261 0.000 +ATOM 19 CA GLY 10 10.817 -13.026 -2.704 0.000 +ATOM 20 CA GLY 11 9.851 -11.614 -6.097 0.000 +ATOM 21 CA PRO 12 6.690 -10.925 -8.091 0.000 +ATOM 22 CB PRO 12 6.997 -11.682 -9.160 0.000 +ATOM 23 CA SER 13 4.208 -13.665 -7.210 0.000 +ATOM 24 CB SER 13 3.715 -14.206 -8.096 0.000 +ATOM 25 CA SER 14 7.025 -16.153 -6.644 0.000 +ATOM 26 CB SER 14 8.036 -15.643 -6.844 0.000 +ATOM 27 CA GLY 15 7.086 -15.483 -2.904 0.000 +ATOM 28 CA ARG 16 4.464 -13.365 -1.150 0.000 +ATOM 29 CB ARG 16 4.992 -10.844 0.428 0.000 +ATOM 30 CA PRO 17 1.849 -11.218 -2.879 0.000 +ATOM 31 CB PRO 17 1.385 -11.046 -1.629 0.000 +ATOM 32 CA PRO 18 2.907 -8.083 -4.748 0.000 +ATOM 33 CB PRO 18 3.251 -9.024 -5.645 0.000 +ATOM 34 CA PRO 19 0.830 -4.957 -5.346 0.000 +ATOM 35 CB PRO 19 1.502 -4.146 -4.509 0.000 +ATOM 36 CA SER 20 3.293 -3.514 -7.855 0.000 +ATOM 37 CB SER 20 4.354 -3.428 -7.419 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