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%40036.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40036.pdb;h=b245f92003932fe69473114179ef57e4f7d5b64a;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@036.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@036.pdb new file mode 100644 index 0000000..b245f92 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@036.pdb @@ -0,0 +1,61 @@ +REMARK GM 36 e 2862668 m 9475 ENERGY -9.22321E+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 5.419 0.444 0.131 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.530 -5.612 -0.411 0.000 +ATOM 5 CA TYR 3 6.133 -3.749 -3.182 0.000 +ATOM 6 CB TYR 3 5.992 -1.311 -3.636 0.000 +ATOM 7 CA ILE 4 9.336 -3.140 -1.230 0.000 +ATOM 8 CB ILE 4 10.044 -1.534 -0.956 0.000 +ATOM 9 CA GLN 5 8.317 -5.719 1.368 0.000 +ATOM 10 CB GLN 5 7.141 -4.171 2.481 0.000 +ATOM 11 CA TRP 6 7.198 -8.076 -1.395 0.000 +ATOM 12 CB TRP 6 5.674 -10.075 -2.079 0.000 +ATOM 13 CA LEU 7 10.292 -7.239 -3.436 0.000 +ATOM 14 CB LEU 7 9.119 -6.618 -4.849 0.000 +ATOM 15 CA LYS 8 12.508 -7.874 -0.415 0.000 +ATOM 16 CB LYS 8 12.946 -5.486 0.333 0.000 +ATOM 17 CA ASP 9 10.710 -11.124 0.388 0.000 +ATOM 18 CB ASP 9 9.293 -10.379 0.986 0.000 +ATOM 19 CA GLY 10 12.482 -12.842 -2.501 0.000 +ATOM 20 CA GLY 11 11.088 -11.007 -5.522 0.000 +ATOM 21 CA PRO 12 7.476 -12.147 -5.222 0.000 +ATOM 22 CB PRO 12 6.988 -11.070 -5.864 0.000 +ATOM 23 CA SER 13 8.464 -15.537 -3.819 0.000 +ATOM 24 CB SER 13 9.590 -15.665 -3.622 0.000 +ATOM 25 CA SER 14 7.478 -14.683 -0.250 0.000 +ATOM 26 CB SER 14 7.190 -13.579 -0.108 0.000 +ATOM 27 CA GLY 15 4.288 -15.986 1.352 0.000 +ATOM 28 CA ARG 16 2.270 -12.853 0.607 0.000 +ATOM 29 CB ARG 16 4.072 -10.537 1.319 0.000 +ATOM 30 CA PRO 17 0.595 -11.736 -2.616 0.000 +ATOM 31 CB PRO 17 0.177 -10.726 -1.832 0.000 +ATOM 32 CA PRO 18 2.766 -10.729 -5.567 0.000 +ATOM 33 CB PRO 18 1.984 -11.608 -6.219 0.000 +ATOM 34 CA PRO 19 2.860 -7.066 -6.573 0.000 +ATOM 35 CB PRO 19 3.754 -6.998 -5.570 0.000 +ATOM 36 CA SER 20 4.203 -7.817 -10.047 0.000 +ATOM 37 CB SER 20 5.146 -8.474 -10.010 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