Merge branch 'devel' of mmka.chem.univ.gda.pl:unres into devel

[unres.git] / examples / unres / MIN / 1L2Y_min_GB.pdb

diff --git a/examples/unres/MIN/1L2Y_min_GB.pdb b/examples/unres/MIN/1L2Y_min_GB.pdb
new file mode 100644 (file)
index 0000000..8a5b536
--- /dev/null
+++ b/examples/unres/MIN/1L2Y_min_GB.pdb
@@ -0,0 +1,62 @@
+REMARK 1L2Y ff_1l2y_1le1                                  ENERGY    -6.04131E+01
+HELIX    1 H1  ASN      1  ASP      9  1                                       8
+HELIX    2 H2  GLY     10  GLY     15  1                                       5
+ATOM      1  CA  ASN     1       1.884   2.404   1.387          0.000
+ATOM      2  CB  ASN     1       1.628   2.147   3.362          0.000
+ATOM      3  CA  LEU     2       5.241   0.752   1.813          0.000
+ATOM      4  CB  LEU     2       7.182   1.001   2.540          0.000
+ATOM      5  CA  TYR     3       4.426   0.771   5.503          0.000
+ATOM      6  CB  TYR     3       6.916   1.421   7.649          0.000
+ATOM      7  CA  ILE     4       2.099  -2.076   4.677          0.000
+ATOM      8  CB  ILE     4       0.523  -2.199   4.255          0.000
+ATOM      9  CA  GLN     5       5.094  -3.972   3.333          0.000
+ATOM     10  CB  GLN     5       4.636  -3.042   1.143          0.000
+ATOM     11  CA  TRP     6       7.127  -2.645   6.242          0.000
+ATOM     12  CB  TRP     6      10.428  -1.105   6.659          0.000
+ATOM     13  CA  LEU     7       4.520  -4.130   8.530          0.000
+ATOM     14  CB  LEU     7       3.756  -2.254   9.009          0.000
+ATOM     15  CA  LYS     8       5.236  -7.490   7.039          0.000
+ATOM     16  CB  LYS     8       5.361  -7.245   3.981          0.000
+ATOM     17  CA  ASP     9       9.002  -6.893   6.917          0.000
+ATOM     18  CB  ASP     9       8.963  -5.604   5.350          0.000
+ATOM     19  CA  GLY    10       8.989  -7.779  10.606          0.000
+ATOM     20  CA  GLY    11       7.065  -4.663  11.770          0.000
+ATOM     21  CA  PRO    12       9.515  -2.103  10.430          0.000
+ATOM     22  CB  PRO    12       8.789  -1.192  11.243          0.000
+ATOM     23  CA  SER    13      12.362  -4.659  10.837          0.000
+ATOM     24  CB  SER    13      11.968  -5.488  11.770          0.000
+ATOM     25  CA  SER    14      13.595  -5.078   7.257          0.000
+ATOM     26  CB  SER    14      12.728  -4.513   6.453          0.000
+ATOM     27  CA  GLY    15      16.169  -3.675   4.823          0.000
+ATOM     28  CA  ARG    16      14.533  -0.325   3.980          0.000
+ATOM     29  CB  ARG    16      11.510  -1.665   3.068          0.000
+ATOM     30  CA  PRO    17      14.174   3.120   5.572          0.000
+ATOM     31  CB  PRO    17      13.175   3.162   4.560          0.000
+ATOM     32  CA  PRO    18      12.224   2.748   8.853          0.000
+ATOM     33  CB  PRO    18      13.515   2.952   9.417          0.000
+ATOM     34  CA  PRO    19       9.729   5.585   8.114          0.000
+ATOM     35  CB  PRO    19       9.532   4.834   6.923          0.000
+ATOM     36  CA  SER    20       8.123   5.654  11.576          0.000
+ATOM     37  CB  SER    20       7.985   4.377  11.844          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