
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  101 (  787),  selected  101 , name one
# Molecule2: number of CA atoms  222 ( 1756),  selected  101 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39     140_A - 178_A       4.82     9.11
  LCS_AVERAGE:     16.20

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27     146_A - 172_A       1.91     9.26
  LCS_AVERAGE:      7.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    13      82_A - 94_A        0.96     8.74
  LCS_AVERAGE:      3.56

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  101
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     S    78_A     S    78_A      3    3   36      3    3    3    3    3    3    7    7   14   27   31   45   49   57   62   71   77   80   84   89 
LCS_GDT     V    79_A     V    79_A      8   22   38      6    8   12   18   19   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     T    80_A     T    80_A      8   22   38      6    8   13   18   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     E    81_A     E    81_A      9   22   38      6    8   13   18   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     M    82_A     M    82_A     13   22   38      6    8   13   18   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     E    83_A     E    83_A     13   22   38      6    8   13   18   20   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     N    84_A     N    84_A     13   22   38      6    8   13   18   20   25   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     T    85_A     T    85_A     13   22   38      6   10   13   18   20   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I    86_A     I    86_A     13   22   38      9   10   13   18   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I    87_A     I    87_A     13   22   38      9   10   13   19   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     K    88_A     K    88_A     13   22   38      9   10   13   18   20   23   36   45   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     N    89_A     N    89_A     13   22   38      9   10   13   18   20   29   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     Q    90_A     Q    90_A     13   22   38      9   10   14   19   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     L    91_A     L    91_A     13   22   38      9   10   13   18   24   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     Q    92_A     Q    92_A     13   22   38      9   10   13   18   19   27   42   45   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     E    93_A     E    93_A     13   22   38      9   10   13   18   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     A    94_A     A    94_A     13   22   38      9   10   14   19   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     F    95_A     F    95_A      6   22   38      4    5   10   17   22   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     Y    96_A     Y    96_A      6   22   38      4    5   10   17   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     G    97_A     G    97_A      6   22   38      3   12   16   20   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     E    98_A     E    98_A      6   22   38      3    5   16   19   25   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     M    99_A     M    99_A      6   22   38      3    7   14   20   24   30   38   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     S   100_A     S   100_A      3   22   38      3    4    9   14   22   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I   101_A     I   101_A      5   22   38      3    5   10   19   24   32   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     Q   102_A     Q   102_A      5   12   38      3    5    8   12   22   25   32   40   49   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I   103_A     I   103_A      5   12   38      3    5    7   12   15   23   29   36   44   54   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     G   104_A     G   104_A      5   12   38      5    5    6    8   13   17   23   33   37   44   49   58   63   67   72   80   86   89   91   93 
LCS_GDT     Y   105_A     Y   105_A      5    9   38      5    5    5    8   15   17   23   33   37   44   49   58   63   67   72   80   86   89   91   93 
LCS_GDT     C   106_A     C   106_A      5    9   38      5    5    5    7   10   18   29   36   41   48   57   58   63   72   76   80   86   89   91   93 
LCS_GDT     N   107_A     N   107_A      5    9   38      5    5    5    7   10   18   29   35   42   48   54   61   68   72   76   80   86   89   91   93 
LCS_GDT     G   108_A     G   108_A      5    9   38      5    5    5    7   10   14   29   36   41   50   57   65   68   72   76   80   86   89   91   93 
LCS_GDT     P   109_A     P   109_A      4    9   38      3    4    5    8   10   11   13   24   29   44   47   52   63   72   73   79   86   89   91   93 
LCS_GDT     N   110_A     N   110_A      4    9   38      3    4    5    8   10   12   27   40   51   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     S   111_A     S   111_A      4    8   38      3    4    5    8   15   25   36   45   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     T   112_A     T   112_A      4    8   38      3    4    7   11   14   19   31   38   46   52   58   64   69   72   76   81   86   89   91   93 
LCS_GDT     L   113_A     L   113_A      4    8   38      3    7    9   10   14   17   23   32   41   49   55   64   69   72   75   81   86   89   91   93 
LCS_GDT     N   114_A     N   114_A      4    8   38      4    6   11   16   20   23   34   43   49   55   60   67   70   72   76   81   86   89   91   93 
LCS_GDT     G   115_A     G   115_A      4    8   38      4    5   12   18   20   23   30   37   49   55   59   66   70   72   76   81   86   89   91   93 
LCS_GDT     L   116_A     L   116_A      4    7   38      4    7   11   14   20   23   34   43   49   55   59   66   70   72   76   81   86   89   91   93 
LCS_GDT     E   117_A     E   117_A      5    7   36      4    5    8    9   11   19   20   25   37   41   50   56   66   72   76   81   86   89   91   93 
LCS_GDT     Y   118_A     Y   118_A      5    7   33      4    5    5   12   17   21   24   27   39   47   55   64   69   72   76   81   86   89   91   93 
LCS_GDT     H   119_A     H   119_A      5    5   28      4    5    5    7   14   20   24   25   31   43   48   54   63   71   74   77   83   88   91   93 
LCS_GDT     K   120_A     K   120_A      5    5   28      4    5    5    5   13   16   18   24   31   43   50   54   61   69   74   76   79   86   90   93 
LCS_GDT     S   121_A     S   121_A      5    5   28      3    5    5    5    6   16   18   23   31   43   50   54   63   69   74   77   83   88   91   93 
LCS_GDT     S   122_A     S   122_A      4   10   28      3    4    8   11   19   32   37   39   41   45   50   57   69   72   76   81   86   89   91   93 
LCS_GDT     E   123_A     E   123_A      9   10   28      8   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I   124_A     I   124_A      9   10   28      9   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     N   125_A     N   125_A      9   10   28     13   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I   126_A     I   126_A      9   10   28     13   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     A   127_A     A   127_A      9   10   28     13   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I   128_A     I   128_A      9   10   28     13   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     T   129_A     T   129_A      9   10   28     13   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     D   130_A     D   130_A      9   10   28     13   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     M   131_A     M   131_A      9   10   28     13   16   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     V   132_A     V   132_A      4   10   28      3    9   12   18   19   23   37   43   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     L   133_A     L   133_A      4    9   28      3    3    4   12   19   20   23   24   27   32   52   60   67   72   76   81   86   89   91   93 
LCS_GDT     L   134_A     L   134_A      3    7   28      3    5   12   13   16   19   21   24   28   30   48   54   61   71   74   81   86   89   91   93 
LCS_GDT     L   135_A     L   135_A      3    5   27      3    3    4    5    5    6    7    9   14   19   20   31   42   49   61   71   76   82   85   91 
LCS_GDT     G   136_A     G   136_A      4    5   27      3    4    4    5    5    6    7    9   13   16   21   26   42   49   60   68   75   80   85   91 
LCS_GDT     K   137_A     K   137_A      4    5   27      3    4    4    5    5    6    7   10   11   16   17   19   33   41   45   49   54   65   79   87 
LCS_GDT     V   138_A     V   138_A      4    5   17      3    4    4    5    5    6   10   14   15   16   18   19   22   41   45   49   68   77   85   91 
LCS_GDT     Q   139_A     Q   139_A      4   10   17      0    4    4    8    8   11   13   14   15   16   18   19   33   41   45   49   72   79   85   91 
LCS_GDT     E   140_A     E   140_A      5   10   39      3    4    5    8    8   11   13   14   15   17   21   30   47   54   64   75   84   89   91   93 
LCS_GDT     V   141_A     V   141_A      7   10   39      4    6    7    8    8   11   13   14   20   29   43   49   62   71   76   81   86   89   91   93 
LCS_GDT     E   142_A     E   142_A      7   10   39      4    6    7    8    8   11   13   14   15   16   21   26   30   39   51   59   63   75   83   90 
LCS_GDT     N   143_A     N   143_A      7   10   39      4    6    7    8    8   11   13   14   15   16   19   21   27   32   42   55   63   73   81   88 
LCS_GDT     N   144_A     N   144_A      7   10   39      4    6    7    8    8   11   13   14   15   31   38   48   52   60   67   74   76   84   88   93 
LCS_GDT     V   145_A     V   145_A      7   17   39      3    6    7    8   12   20   28   30   35   40   43   48   53   60   72   75   81   89   91   93 
LCS_GDT     F   146_A     F   146_A     10   27   39      6   15   24   27   31   35   39   40   50   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     H   147_A     H   147_A     10   27   39      6   15   24   27   31   35   39   39   44   54   60   67   70   72   76   81   86   89   91   93 
LCS_GDT     S   148_A     S   148_A     10   27   39      6   16   24   27   31   35   39   39   50   55   60   67   70   72   76   81   86   89   91   93 
LCS_GDT     N   149_A     N   149_A     10   27   39      6   16   24   27   31   35   39   39   41   43   60   66   70   72   76   81   86   89   91   93 
LCS_GDT     D   150_A     D   150_A     10   27   39      6   15   24   27   31   35   39   39   41   54   60   67   70   72   76   81   86   89   91   93 
LCS_GDT     V   151_A     V   151_A     10   27   39      6   16   24   27   31   35   39   40   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     I   152_A     I   152_A     10   27   39      4   15   24   27   31   35   39   39   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     A   153_A     A   153_A     10   27   39      4   15   24   27   31   35   39   47   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     F   154_A     F   154_A     10   27   39      3    5   13   23   30   35   39   44   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     F   155_A     F   155_A     10   27   39      3   16   24   27   31   35   39   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     V   156_A     V   156_A      9   27   39     13   16   24   27   31   35   39   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     P   157_A     P   157_A      9   27   39     13   16   24   27   31   35   39   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     K   158_A     K   158_A      9   27   39     13   16   24   27   31   35   40   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     G   159_A     G   159_A      9   27   39     13   16   24   27   31   35   39   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     T   160_A     T   160_A      9   27   39     13   16   24   27   31   35   39   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     A   161_A     A   161_A      9   27   39      8   12   18   25   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     V   162_A     V   162_A     11   27   39      8   13   16   24   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     E   163_A     E   163_A     11   27   39     13   13   20   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     L   164_A     L   164_A     11   27   39      4   15   24   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     Y   165_A     Y   165_A     11   27   39      4   13   20   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     S   166_A     S   166_A     11   27   39      4    8   20   26   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     T   167_A     T   167_A     11   27   39      6   12   16   23   29   34   42   48   52   56   60   66   70   72   76   81   86   89   91   93 
LCS_GDT     T   168_A     T   168_A     11   27   39      8   12   20   26   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     L   169_A     L   169_A     11   27   39      6    9   20   27   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     H   170_A     H   170_A     11   27   39      6    8   19   26   31   35   39   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     F   171_A     F   171_A     11   27   39      6    8   11   22   29   35   39   39   51   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     A   172_A     A   172_A     11   27   39      6    8   11   22   29   35   39   39   41   55   60   67   70   72   76   81   86   89   91   93 
LCS_GDT     P   173_A     P   173_A      7   14   39      3    6    7    8    9   20   23   27   40   43   48   55   60   70   76   81   84   89   91   93 
LCS_GDT     C   174_A     C   174_A      7    8   39      3    6    7    8    8   17   25   36   41   52   60   67   70   72   76   81   86   89   91   93 
LCS_GDT     K   175_A     K   175_A      7    8   39      3    6    8   12   16   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     V   176_A     V   176_A      7    8   39      3    6    7    8    8   17   23   27   40   48   56   61   68   72   76   81   86   89   91   93 
LCS_GDT     N   177_A     N   177_A      7    8   39      3    7    9   12   17   35   42   45   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_GDT     N   178_A     N   178_A      7    8   39      3    5    7   23   31   35   42   48   52   56   61   67   70   72   76   81   86   89   91   93 
LCS_AVERAGE  LCS_A:   9.09  (   3.56    7.50   16.20 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     13     16     24     27     31     35     42     48     52     56     61     67     70     72     76     81     86     89     91     93 
GDT PERCENT_AT   5.86   7.21  10.81  12.16  13.96  15.77  18.92  21.62  23.42  25.23  27.48  30.18  31.53  32.43  34.23  36.49  38.74  40.09  40.99  41.89
GDT RMS_LOCAL    0.29   0.55   0.92   1.18   1.43   1.74   2.56   2.85   2.99   3.18   3.54   3.86   4.03   4.14   4.46   4.82   5.13   5.36   5.51   5.71
GDT RMS_ALL_AT   8.06   8.02   8.10   8.24   8.45   8.63   7.92   7.44   7.51   7.42   7.06   6.99   6.95   6.96   6.95   6.84   6.83   6.80   6.78   6.76

# Checking swapping
#   possible swapping detected:  E    83_A      E    83_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   117_A      E   117_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  F   146_A      F   146_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    78_A      S    78_A     9.871     0    0.604   0.892    13.309    3.810    2.540
LGA    V    79_A      V    79_A     3.469     0    0.597   0.627     5.439   47.619   52.857
LGA    T    80_A      T    80_A     2.744     0    0.028   0.169     3.521   59.167   56.327
LGA    E    81_A      E    81_A     2.711     0    0.052   0.778     6.048   57.143   46.984
LGA    M    82_A      M    82_A     2.732     0    0.067   0.256     3.044   55.357   56.250
LGA    E    83_A      E    83_A     3.534     0    0.020   0.670     4.126   43.452   54.709
LGA    N    84_A      N    84_A     3.788     0    0.316   0.921     5.831   43.452   37.024
LGA    T    85_A      T    85_A     3.630     0    0.156   1.066     4.485   41.786   41.565
LGA    I    86_A      I    86_A     2.493     0    0.036   0.085     2.827   62.857   65.833
LGA    I    87_A      I    87_A     2.673     0    0.063   1.380     5.240   55.476   49.048
LGA    K    88_A      K    88_A     4.583     0    0.011   1.746    14.161   37.262   20.741
LGA    N    89_A      N    89_A     3.870     0    0.053   0.075     5.520   46.667   38.631
LGA    Q    90_A      Q    90_A     1.718     0    0.030   0.196     2.378   68.810   76.878
LGA    L    91_A      L    91_A     3.173     0    0.074   0.068     4.722   51.786   45.298
LGA    Q    92_A      Q    92_A     4.244     0    0.012   0.177     6.427   41.786   30.159
LGA    E    93_A      E    93_A     2.803     0    0.053   0.134     3.344   59.167   55.661
LGA    A    94_A      A    94_A     2.035     0    0.142   0.152     2.515   64.762   63.238
LGA    F    95_A      F    95_A     2.858     0    0.026   1.120     4.490   57.143   56.017
LGA    Y    96_A      Y    96_A     2.380     0    0.064   0.240     3.795   68.810   58.135
LGA    G    97_A      G    97_A     1.476     0    0.543   0.543     3.131   71.429   71.429
LGA    E    98_A      E    98_A     2.256     0    0.176   0.296     3.377   61.190   56.561
LGA    M    99_A      M    99_A     3.658     0    0.664   0.759     8.398   48.452   31.012
LGA    S   100_A      S   100_A     3.379     0    0.333   0.343     6.566   50.119   39.206
LGA    I   101_A      I   101_A     3.175     0    0.658   0.552     6.777   57.500   42.262
LGA    Q   102_A      Q   102_A     5.365     0    0.141   0.860     9.439   26.310   15.767
LGA    I   103_A      I   103_A     6.092     0    0.041   0.624     8.021   12.619   17.857
LGA    G   104_A      G   104_A     9.736     0    0.554   0.554    11.636    1.310    1.310
LGA    Y   105_A      Y   105_A     9.678     0    0.011   0.121    17.269    3.452    1.151
LGA    C   106_A      C   106_A     7.535     0    0.163   0.879    10.651    4.286    4.048
LGA    N   107_A      N   107_A     8.153     0    0.022   0.611    12.217    7.976    4.167
LGA    G   108_A      G   108_A     6.911     0    0.300   0.300     7.834    9.405    9.405
LGA    P   109_A      P   109_A     8.347     0    0.516   0.487    10.967    6.071    3.673
LGA    N   110_A      N   110_A     4.964     0    0.076   0.925     9.729   34.286   21.250
LGA    S   111_A      S   111_A     4.445     0    0.651   0.715     7.710   24.286   29.762
LGA    T   112_A      T   112_A     6.882     0    0.362   1.480     9.113   14.167    9.388
LGA    L   113_A      L   113_A     8.691     0    0.433   1.378    15.457    4.762    2.381
LGA    N   114_A      N   114_A     6.612     0    0.574   1.326     9.257    8.810   29.167
LGA    G   115_A      G   115_A     8.239     0    0.064   0.064     8.239   11.310   11.310
LGA    L   116_A      L   116_A     6.398     0    0.024   0.135     8.769    9.286   13.393
LGA    E   117_A      E   117_A     9.820     0    0.611   0.872    15.636    2.381    1.058
LGA    Y   118_A      Y   118_A     8.809     0    0.111   0.233    10.731    1.190    2.302
LGA    H   119_A      H   119_A    10.417     0    0.107   1.240    11.293    0.833    0.714
LGA    K   120_A      K   120_A    10.613     0    0.393   0.773    13.260    0.000    0.106
LGA    S   121_A      S   121_A     9.807     0    0.090   0.665    11.583    7.619    5.079
LGA    S   122_A      S   122_A     7.066     0    0.120   0.632    10.964   19.405   13.175
LGA    E   123_A      E   123_A     1.518     0    0.537   0.893     8.668   67.143   39.524
LGA    I   124_A      I   124_A     1.917     0    0.128   0.122     2.758   72.857   67.857
LGA    N   125_A      N   125_A     1.418     0    0.148   1.207     3.044   75.000   72.202
LGA    I   126_A      I   126_A     2.379     0    0.033   0.359     3.520   64.762   56.548
LGA    A   127_A      A   127_A     1.634     0    0.042   0.045     2.459   68.810   69.619
LGA    I   128_A      I   128_A     2.358     0    0.100   0.661     5.883   70.833   58.631
LGA    T   129_A      T   129_A     1.332     0    0.030   0.132     1.622   79.286   82.789
LGA    D   130_A      D   130_A     2.022     0    0.034   0.169     3.663   72.976   61.548
LGA    M   131_A      M   131_A     2.484     0    0.261   1.023     3.245   57.381   66.429
LGA    V   132_A      V   132_A     5.726     0    0.129   1.282     9.324   23.214   19.116
LGA    L   133_A      L   133_A     8.846     0    0.658   1.453    13.646    5.000    2.500
LGA    L   134_A      L   134_A    11.136     0    0.604   0.519    13.792    0.000    0.000
LGA    L   135_A      L   135_A    14.379     0    0.618   1.099    15.238    0.000    0.000
LGA    G   136_A      G   136_A    14.595     0    0.550   0.550    14.877    0.000    0.000
LGA    K   137_A      K   137_A    16.166     0    0.083   1.092    17.651    0.000    0.000
LGA    V   138_A      V   138_A    15.052     0    0.630   0.643    17.628    0.000    0.000
LGA    Q   139_A      Q   139_A    15.509     0    0.668   1.242    18.864    0.000    0.000
LGA    E   140_A      E   140_A    12.425     0    0.695   1.264    13.290    0.000    0.000
LGA    V   141_A      V   141_A    12.246     0    0.106   0.133    13.931    0.000    0.068
LGA    E   142_A      E   142_A    17.909     4    0.068   0.110    19.195    0.000    0.000
LGA    N   143_A      N   143_A    19.865     0    0.215   0.184    23.919    0.000    0.000
LGA    N   144_A      N   144_A    15.343     0    0.055   0.262    18.125    0.000    0.000
LGA    V   145_A      V   145_A    14.284     0    0.140   0.215    18.459    0.000    0.000
LGA    F   146_A      F   146_A     8.471     0    0.230   1.423    10.612    1.548   28.831
LGA    H   147_A      H   147_A     9.882     0    0.082   0.933    13.939    1.548    0.619
LGA    S   148_A      S   148_A     9.611     0    0.105   0.612    12.151    0.952    0.635
LGA    N   149_A      N   149_A    10.853     0    0.075   1.243    11.829    0.000    0.000
LGA    D   150_A      D   150_A     9.769     0    0.143   0.198    11.543    2.619    1.310
LGA    V   151_A      V   151_A     7.392     0    0.096   0.127     8.437    7.381    8.980
LGA    I   152_A      I   152_A     6.792     0    0.085   0.224     8.250   18.571   12.976
LGA    A   153_A      A   153_A     5.287     0    0.121   0.149     6.194   22.738   21.619
LGA    F   154_A      F   154_A     4.509     0    0.164   0.444     7.030   38.929   27.143
LGA    F   155_A      F   155_A     4.100     0    0.038   0.155     4.429   37.143   40.519
LGA    V   156_A      V   156_A     3.783     0    0.136   0.889     3.987   48.452   49.320
LGA    P   157_A      P   157_A     3.905     0    0.021   0.068     5.196   46.667   40.204
LGA    K   158_A      K   158_A     2.989     1    0.061   0.691     4.533   45.476   50.053
LGA    G   159_A      G   159_A     4.180     0    0.045   0.045     4.594   37.262   37.262
LGA    T   160_A      T   160_A     3.764     0    0.151   1.029     5.334   46.667   42.789
LGA    A   161_A      A   161_A     2.384     0    0.080   0.124     3.283   62.857   60.286
LGA    V   162_A      V   162_A     1.782     0    0.061   1.132     3.283   72.857   70.816
LGA    E   163_A      E   163_A     1.901     0    0.019   0.790     7.050   70.833   47.725
LGA    L   164_A      L   164_A     1.904     0    0.141   0.839     3.265   68.810   67.024
LGA    Y   165_A      Y   165_A     2.621     0    0.041   0.277     5.928   64.881   44.881
LGA    S   166_A      S   166_A     3.104     0    0.046   0.068     5.027   51.786   45.079
LGA    T   167_A      T   167_A     3.140     0    0.025   0.053     4.760   57.381   48.776
LGA    T   168_A      T   168_A     1.540     0    0.049   0.128     2.758   81.667   75.646
LGA    L   169_A      L   169_A     2.295     0    0.014   0.081     3.780   62.976   57.440
LGA    H   170_A      H   170_A     3.565     0    0.037   0.108     4.626   39.048   49.238
LGA    F   171_A      F   171_A     6.523     0    0.097   1.488    15.267   17.500    7.273
LGA    A   172_A      A   172_A     7.270     0    0.058   0.069     7.270   11.786   12.095
LGA    P   173_A      P   173_A     8.140     0    0.064   0.439    10.234   11.071    6.599
LGA    C   174_A      C   174_A     5.484     0    0.046   0.758     6.884   21.786   20.317
LGA    K   175_A      K   175_A     4.026     0    0.184   0.773     5.204   37.143   46.772
LGA    V   176_A      V   176_A     6.145     0    0.257   0.250     8.608   23.929   15.782
LGA    N   177_A      N   177_A     4.540     0    0.028   0.118     6.695   36.071   28.452
LGA    N   178_A      N   178_A     2.261     0    0.616   0.594     3.460   59.167   61.964

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      101     404    404  100.00     782    782  100.00               222
SUMMARY(RMSD_GDC):     6.683          6.603                  7.220           14.998   13.829

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101  222    4.0     48    2.85    19.369    16.840     1.629

LGA_LOCAL      RMSD:   2.846  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.445  Number of assigned atoms:  101 
Std_ASGN_ATOMS RMSD:   6.683  Standard rmsd on all 101 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.460856 * X  +   0.224062 * Y  +  -0.858725 * Z  +  47.537113
  Y_new =  -0.065711 * X  +  -0.973564 * Y  +  -0.218761 * Z  +  84.524414
  Z_new =  -0.885039 * X  +  -0.044390 * Y  +   0.463396 * Z  +  51.809700 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.999964  1.086577 -0.095501   [DEG: -171.8853   62.2563   -5.4718 ]
ZXZ: -1.321352  1.088973 -1.620910   [DEG:  -75.7079   62.3935  -92.8713 ]
 
# END of job
