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%40022.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40022.pdb;h=db1101f2da0c41511ff2af10822e0645d127a050;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@022.pdb new file mode 100644 index 0000000..db1101f --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@022.pdb @@ -0,0 +1,61 @@ +REMARK GM 22 e 768228 m 2325 ENERGY -8.75297E+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 4.200 1.498 0.657 0.000 +ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.634 -5.680 0.180 0.000 +ATOM 5 CA TYR 3 1.592 -4.035 -2.896 0.000 +ATOM 6 CB TYR 3 1.076 -1.606 -2.816 0.000 +ATOM 7 CA ILE 4 4.388 -3.489 -5.410 0.000 +ATOM 8 CB ILE 4 4.736 -1.930 -6.186 0.000 +ATOM 9 CA GLN 5 6.601 -5.934 -3.523 0.000 +ATOM 10 CB GLN 5 7.443 -4.368 -2.161 0.000 +ATOM 11 CA TRP 6 3.688 -8.358 -3.244 0.000 +ATOM 12 CB TRP 6 2.268 -10.543 -3.233 0.000 +ATOM 13 CA LEU 7 2.681 -7.727 -6.853 0.000 +ATOM 14 CB LEU 7 1.101 -6.755 -6.288 0.000 +ATOM 15 CA LYS 8 6.230 -8.415 -8.025 0.000 +ATOM 16 CB LYS 8 6.766 -6.005 -8.625 0.000 +ATOM 17 CA ASP 9 6.735 -11.141 -5.425 0.000 +ATOM 18 CB ASP 9 7.132 -9.956 -4.259 0.000 +ATOM 19 CA GLY 10 4.037 -13.321 -6.976 0.000 +ATOM 20 CA GLY 11 0.429 -12.130 -7.008 0.000 +ATOM 21 CA PRO 12 -2.366 -11.581 -4.492 0.000 +ATOM 22 CB PRO 12 -3.274 -12.384 -5.074 0.000 +ATOM 23 CA SER 13 -2.014 -14.302 -1.864 0.000 +ATOM 24 CB SER 13 -2.968 -14.897 -1.621 0.000 +ATOM 25 CA SER 14 -0.587 -16.718 -4.427 0.000 +ATOM 26 CB SER 14 -0.540 -16.203 -5.454 0.000 +ATOM 27 CA GLY 15 2.994 -15.845 -3.501 0.000 +ATOM 28 CA ARG 16 3.877 -13.660 -0.521 0.000 +ATOM 29 CB ARG 16 5.240 -10.966 -0.597 0.000 +ATOM 30 CA PRO 17 1.351 -11.692 1.526 0.000 +ATOM 31 CB PRO 17 2.405 -11.395 2.307 0.000 +ATOM 32 CA PRO 18 -0.362 -8.639 0.050 0.000 +ATOM 33 CB PRO 18 -1.091 -9.616 -0.517 0.000 +ATOM 34 CA PRO 19 -1.444 -5.804 2.338 0.000 +ATOM 35 CB PRO 19 -0.899 -4.976 1.430 0.000 +ATOM 36 CA SER 20 -5.136 -6.374 1.642 0.000 +ATOM 37 CB SER 20 -5.325 -6.847 0.611 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