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%40040.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40040.pdb;h=5a445aecd2c6b066d261a82e472a068017191e6b;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@040.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@040.pdb new file mode 100644 index 0000000..5a445ae --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@040.pdb @@ -0,0 +1,61 @@ +REMARK GM 40 e 9397508 m 31019 ENERGY -9.25426E+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 5.421 0.436 0.139 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.616 -5.636 -0.404 0.000 +ATOM 5 CA TYR 3 6.087 -3.753 -3.211 0.000 +ATOM 6 CB TYR 3 5.943 -1.305 -3.608 0.000 +ATOM 7 CA ILE 4 9.313 -3.204 -1.278 0.000 +ATOM 8 CB ILE 4 10.025 -1.609 -0.955 0.000 +ATOM 9 CA GLN 5 8.307 -5.858 1.249 0.000 +ATOM 10 CB GLN 5 7.151 -4.393 2.487 0.000 +ATOM 11 CA TRP 6 7.163 -8.129 -1.575 0.000 +ATOM 12 CB TRP 6 5.706 -10.158 -2.315 0.000 +ATOM 13 CA LEU 7 10.246 -7.233 -3.609 0.000 +ATOM 14 CB LEU 7 9.045 -6.610 -4.997 0.000 +ATOM 15 CA LYS 8 12.475 -7.941 -0.613 0.000 +ATOM 16 CB LYS 8 12.917 -5.580 0.215 0.000 +ATOM 17 CA ASP 9 10.707 -11.230 0.090 0.000 +ATOM 18 CB ASP 9 9.256 -10.561 0.696 0.000 +ATOM 19 CA GLY 10 12.540 -12.844 -2.821 0.000 +ATOM 20 CA GLY 11 11.141 -10.926 -5.788 0.000 +ATOM 21 CA PRO 12 7.549 -12.143 -5.540 0.000 +ATOM 22 CB PRO 12 7.025 -11.046 -6.116 0.000 +ATOM 23 CA SER 13 8.601 -15.566 -4.268 0.000 +ATOM 24 CB SER 13 9.728 -15.681 -4.072 0.000 +ATOM 25 CA SER 14 7.581 -14.865 -0.675 0.000 +ATOM 26 CB SER 14 7.237 -13.783 -0.491 0.000 +ATOM 27 CA GLY 15 4.421 -16.404 0.769 0.000 +ATOM 28 CA ARG 16 2.239 -13.377 0.049 0.000 +ATOM 29 CB ARG 16 3.941 -11.042 0.928 0.000 +ATOM 30 CA PRO 17 0.528 -12.210 -3.136 0.000 +ATOM 31 CB PRO 17 0.511 -11.035 -2.482 0.000 +ATOM 32 CA PRO 18 2.833 -10.864 -5.841 0.000 +ATOM 33 CB PRO 18 2.194 -11.791 -6.577 0.000 +ATOM 34 CA PRO 19 2.721 -7.131 -6.541 0.000 +ATOM 35 CB PRO 19 3.653 -7.051 -5.575 0.000 +ATOM 36 CA SER 20 4.010 -7.509 -10.095 0.000 +ATOM 37 CB SER 20 5.056 -7.372 -9.638 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