X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40036.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40036.pdb;h=115e95adc922cd5d843dee2893a20ae477256f96;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@036.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@036.pdb new file mode 100644 index 0000000..115e95a --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@036.pdb @@ -0,0 +1,61 @@ +REMARK GM 36 e 8637668 m 28385 ENERGY -9.22628E+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 5.420 0.437 0.148 0.000 +ATOM 3 CA LEU 2 4.054 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.622 -5.635 -0.419 0.000 +ATOM 5 CA TYR 3 6.071 -3.752 -3.220 0.000 +ATOM 6 CB TYR 3 5.925 -1.303 -3.604 0.000 +ATOM 7 CA ILE 4 9.303 -3.196 -1.300 0.000 +ATOM 8 CB ILE 4 10.018 -1.602 -0.979 0.000 +ATOM 9 CA GLN 5 8.317 -5.860 1.223 0.000 +ATOM 10 CB GLN 5 7.160 -4.405 2.473 0.000 +ATOM 11 CA TRP 6 7.170 -8.126 -1.603 0.000 +ATOM 12 CB TRP 6 5.716 -10.163 -2.327 0.000 +ATOM 13 CA LEU 7 10.247 -7.221 -3.642 0.000 +ATOM 14 CB LEU 7 9.037 -6.568 -5.009 0.000 +ATOM 15 CA LYS 8 12.483 -7.940 -0.654 0.000 +ATOM 16 CB LYS 8 12.924 -5.577 0.168 0.000 +ATOM 17 CA ASP 9 10.716 -11.233 0.037 0.000 +ATOM 18 CB ASP 9 9.270 -10.565 0.656 0.000 +ATOM 19 CA GLY 10 12.524 -12.825 -2.902 0.000 +ATOM 20 CA GLY 11 11.102 -10.897 -5.852 0.000 +ATOM 21 CA PRO 12 7.511 -12.112 -5.581 0.000 +ATOM 22 CB PRO 12 6.997 -11.017 -6.168 0.000 +ATOM 23 CA SER 13 8.571 -15.542 -4.335 0.000 +ATOM 24 CB SER 13 9.699 -15.657 -4.147 0.000 +ATOM 25 CA SER 14 7.597 -14.864 -0.725 0.000 +ATOM 26 CB SER 14 7.252 -13.785 -0.523 0.000 +ATOM 27 CA GLY 15 4.463 -16.425 0.751 0.000 +ATOM 28 CA ARG 16 2.264 -13.398 0.085 0.000 +ATOM 29 CB ARG 16 3.956 -11.042 0.925 0.000 +ATOM 30 CA PRO 17 0.527 -12.230 -3.086 0.000 +ATOM 31 CB PRO 17 0.515 -11.057 -2.428 0.000 +ATOM 32 CA PRO 18 2.809 -10.882 -5.809 0.000 +ATOM 33 CB PRO 18 2.167 -11.809 -6.542 0.000 +ATOM 34 CA PRO 19 2.699 -7.157 -6.551 0.000 +ATOM 35 CB PRO 19 3.640 -7.069 -5.593 0.000 +ATOM 36 CA SER 20 3.987 -7.595 -10.099 0.000 +ATOM 37 CB SER 20 4.962 -8.205 -10.126 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