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%40031.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40031.pdb;h=18cdf3408cb8d5a26179ff6ae5098a9a0f895728;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@031.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@031.pdb new file mode 100644 index 0000000..18cdf34 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@031.pdb @@ -0,0 +1,61 @@ +REMARK GM 31 e 1805317 m 5834 ENERGY -9.06691E+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 5.417 0.450 0.143 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.544 -5.607 -0.449 0.000 +ATOM 5 CA TYR 3 6.089 -3.751 -3.211 0.000 +ATOM 6 CB TYR 3 5.960 -1.303 -3.614 0.000 +ATOM 7 CA ILE 4 9.310 -3.119 -1.296 0.000 +ATOM 8 CB ILE 4 10.010 -1.507 -1.040 0.000 +ATOM 9 CA GLN 5 8.355 -5.735 1.289 0.000 +ATOM 10 CB GLN 5 7.178 -4.213 2.437 0.000 +ATOM 11 CA TRP 6 7.224 -8.073 -1.485 0.000 +ATOM 12 CB TRP 6 5.683 -10.029 -2.248 0.000 +ATOM 13 CA LEU 7 10.288 -7.190 -3.552 0.000 +ATOM 14 CB LEU 7 9.091 -6.511 -4.917 0.000 +ATOM 15 CA LYS 8 12.545 -7.848 -0.566 0.000 +ATOM 16 CB LYS 8 12.955 -5.459 0.196 0.000 +ATOM 17 CA ASP 9 10.772 -11.115 0.223 0.000 +ATOM 18 CB ASP 9 9.380 -10.349 0.852 0.000 +ATOM 19 CA GLY 10 12.510 -12.797 -2.708 0.000 +ATOM 20 CA GLY 11 11.107 -10.920 -5.699 0.000 +ATOM 21 CA PRO 12 7.487 -12.043 -5.418 0.000 +ATOM 22 CB PRO 12 7.013 -10.961 -6.062 0.000 +ATOM 23 CA SER 13 8.451 -15.445 -4.027 0.000 +ATOM 24 CB SER 13 9.576 -15.580 -3.830 0.000 +ATOM 25 CA SER 14 7.469 -14.597 -0.456 0.000 +ATOM 26 CB SER 14 7.218 -13.486 -0.299 0.000 +ATOM 27 CA GLY 15 4.251 -15.811 1.161 0.000 +ATOM 28 CA ARG 16 2.302 -12.642 0.385 0.000 +ATOM 29 CB ARG 16 4.176 -10.420 1.202 0.000 +ATOM 30 CA PRO 17 0.623 -11.537 -2.840 0.000 +ATOM 31 CB PRO 17 0.190 -10.549 -2.036 0.000 +ATOM 32 CA PRO 18 2.789 -10.619 -5.824 0.000 +ATOM 33 CB PRO 18 1.937 -11.423 -6.485 0.000 +ATOM 34 CA PRO 19 3.042 -6.971 -6.856 0.000 +ATOM 35 CB PRO 19 3.807 -6.955 -5.750 0.000 +ATOM 36 CA SER 20 3.210 -6.199 -10.573 0.000 +ATOM 37 CB SER 20 4.278 -6.061 -10.979 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