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%40038.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40038.pdb;h=d2e1adfe53fcef5c5ecae587fd77b067558efff5;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@038.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@038.pdb new file mode 100644 index 0000000..d2e1adf --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@038.pdb @@ -0,0 +1,61 @@ +REMARK GM 38 e 3332064 m 11130 ENERGY -9.22333E+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 0.442 0.121 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.530 -5.613 -0.405 0.000 +ATOM 5 CA TYR 3 6.110 -3.750 -3.197 0.000 +ATOM 6 CB TYR 3 5.965 -1.311 -3.645 0.000 +ATOM 7 CA ILE 4 9.328 -3.146 -1.268 0.000 +ATOM 8 CB ILE 4 10.039 -1.541 -0.995 0.000 +ATOM 9 CA GLN 5 8.325 -5.727 1.335 0.000 +ATOM 10 CB GLN 5 7.160 -4.178 2.458 0.000 +ATOM 11 CA TRP 6 7.186 -8.080 -1.423 0.000 +ATOM 12 CB TRP 6 5.659 -10.079 -2.100 0.000 +ATOM 13 CA LEU 7 10.266 -7.242 -3.484 0.000 +ATOM 14 CB LEU 7 9.079 -6.633 -4.891 0.000 +ATOM 15 CA LYS 8 12.502 -7.879 -0.478 0.000 +ATOM 16 CB LYS 8 12.945 -5.491 0.270 0.000 +ATOM 17 CA ASP 9 10.711 -11.131 0.333 0.000 +ATOM 18 CB ASP 9 9.296 -10.390 0.940 0.000 +ATOM 19 CA GLY 10 12.469 -12.844 -2.568 0.000 +ATOM 20 CA GLY 11 11.052 -11.009 -5.579 0.000 +ATOM 21 CA PRO 12 7.444 -12.157 -5.257 0.000 +ATOM 22 CB PRO 12 6.947 -11.079 -5.890 0.000 +ATOM 23 CA SER 13 8.449 -15.547 -3.864 0.000 +ATOM 24 CB SER 13 9.576 -15.672 -3.675 0.000 +ATOM 25 CA SER 14 7.483 -14.697 -0.288 0.000 +ATOM 26 CB SER 14 7.194 -13.593 -0.145 0.000 +ATOM 27 CA GLY 15 4.303 -16.004 1.329 0.000 +ATOM 28 CA ARG 16 2.280 -12.871 0.600 0.000 +ATOM 29 CB ARG 16 4.081 -10.552 1.308 0.000 +ATOM 30 CA PRO 17 0.579 -11.741 -2.604 0.000 +ATOM 31 CB PRO 17 0.174 -10.729 -1.817 0.000 +ATOM 32 CA PRO 18 2.727 -10.731 -5.572 0.000 +ATOM 33 CB PRO 18 1.940 -11.610 -6.218 0.000 +ATOM 34 CA PRO 19 2.812 -7.065 -6.568 0.000 +ATOM 35 CB PRO 19 3.709 -6.997 -5.568 0.000 +ATOM 36 CA SER 20 4.171 -7.800 -10.040 0.000 +ATOM 37 CB SER 20 5.149 -8.404 -10.003 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