
#######################################################
#                                                     #
#                        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   92 (  758),  selected   92 , name one
# Molecule2: number of CA atoms  239 ( 1967),  selected   92 , 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:    46      87_A - 132_A       4.68    17.63
  LCS_AVERAGE:     14.38

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24     155_A - 178_A       1.92    16.63
  LCS_AVERAGE:      6.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     158_A - 175_A       0.97    17.32
  LCS_AVERAGE:      4.03

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     D    87_A     D    87_A     10   19   46      4    8   12   31   38   44   47   50   53   57   59   62   65   66   67   68   68   69   69   69 
LCS_GDT     Y    88_A     Y    88_A     12   19   46      5   15   30   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     I    89_A     I    89_A     13   19   46     10   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     T    90_A     T    90_A     13   19   46     10   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L    91_A     L    91_A     13   19   46     10   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F    92_A     F    92_A     13   19   46     10   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     E    93_A     E    93_A     13   19   46      6   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     D    94_A     D    94_A     13   19   46      4   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     D    95_A     D    95_A     13   19   46      6   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     I    96_A     I    96_A     13   19   46     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L    97_A     L    97_A     13   19   46      6   19   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L    98_A     L    98_A     13   19   46      6   13   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     G    99_A     G    99_A     13   19   46      6   19   32   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     E   100_A     E   100_A     13   19   46      6   13   21   30   37   43   46   50   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     N   101_A     N   101_A     13   19   46      6   19   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     A   102_A     A   102_A     13   19   46      6    9   31   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     N   103_A     N   103_A     11   19   46      6    9   12   18   23   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     K   104_A     K   104_A     11   19   46      6   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F   105_A     F   105_A     11   19   46      6    8   12   26   41   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L   106_A     L   106_A     11   19   46      4    8   12   13   23   37   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     A   107_A     A   107_A      9   17   46      3    5    8   12   15   17   23   31   51   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     E   108_A     E   108_A      6   17   46      3    5    8   12   15   16   19   36   42   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     G   109_A     G   109_A      8   17   46      6    7   12   13   16   20   23   27   33   48   59   63   65   66   67   68   68   69   69   69 
LCS_GDT     D   110_A     D   110_A      8   10   46      6    7    8    8   15   22   32   48   56   57   59   63   65   66   67   68   68   69   69   69 
LCS_GDT     W   111_A     W   111_A      8   10   46      6    7    8   18   40   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L   112_A     L   112_A      8   10   46      6    7    8   12   20   32   46   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     K   113_A     K   113_A      8   10   46      6    7   11   15   20   30   36   48   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     V   114_A     V   114_A      8   10   46      6    7    8   17   22   37   47   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     R   115_A     R   115_A      8   10   46      6    7    8   17   38   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F   116_A     F   116_A      8   10   46      3    5    8    8   11   23   31   45   54   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     N   117_A     N   117_A      5   10   46      3    4    5    6    9   11   23   28   40   49   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F   118_A     F   118_A      5    7   46      3    4    5    5    6    8   10   10   17   33   41   51   64   66   67   68   68   69   69   69 
LCS_GDT     Q   119_A     Q   119_A      3    8   46      3    4    5    7    8   16   24   33   40   51   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     E   120_A     E   120_A      4    8   46      3    4   10   15   21   30   37   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     I   121_A     I   121_A      4    8   46      3    3    4    5    7   12   34   40   52   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F   122_A     F   122_A      6    8   46      5   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     V   123_A     V   123_A      6    8   46      6   21   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L   124_A     L   124_A      6    8   46      9   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     R   125_A     R   125_A      6    8   46      5   20   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L   126_A     L   126_A      6    8   46      3   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     E   127_A     E   127_A      6    8   46      4    7   25   37   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     T   128_A     T   128_A      5    8   46      4   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F   129_A     F   129_A      5    8   46      4    4    5   17   22   37   46   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L   130_A     L   130_A      5    7   46      4    4    7   11   20   28   45   50   54   57   59   63   65   66   67   68   68   69   69   69 
LCS_GDT     M   131_A     M   131_A      4    7   46      3    4    4    6    7    8   14   19   26   34   40   44   49   58   61   68   68   69   69   69 
LCS_GDT     P   132_A     P   132_A      4    7   46      3    4    4    6    7    8    8   11   15   21   26   34   40   45   48   51   55   57   66   68 
LCS_GDT     V   133_A     V   133_A      4    7   17      3    4    4    6    7    8    9   11   13   16   21   28   31   34   40   47   51   53   55   60 
LCS_GDT     Q   134_A     Q   134_A      4    6   17      3    4    4    6    6    8    9   11   13   13   16   19   27   29   33   40   48   51   53   56 
LCS_GDT     L   135_A     L   135_A      4    6   16      3    4    4    6    6    7    8    9   11   13   14   16   19   23   24   27   32   36   38   43 
LCS_GDT     E   136_A     E   136_A      4    6   15      3    4    4    6    7    8    8   11   12   13   14   16   17   18   20   22   26   28   33   36 
LCS_GDT     K   137_A     K   137_A      4    6   15      3    4    4    6    6    7    8    9   11   12   13   14   15   17   20   23   25   29   33   36 
LCS_GDT     Q   138_A     Q   138_A      4    6   15      3    4    4    4    6    7    8    9   11   12   13   16   16   18   20   22   24   29   33   36 
LCS_GDT     T   139_A     T   139_A      5    5   17      3    5    5    5    6    7    8    9   11   12   13   14   15   16   20   23   25   29   33   36 
LCS_GDT     Q   140_A     Q   140_A      5    5   17      3    5    5    5    6    7    9   10   12   12   14   15   15   16   20   23   25   29   33   36 
LCS_GDT     I   141_A     I   141_A      5    5   17      3    5    5    5    6    7    8   11   12   12   14   15   15   16   20   23   25   29   31   36 
LCS_GDT     P   142_A     P   142_A      5    5   17      3    5    5    5    5    7    8   11   12   12   14   15   15   16   18   19   20   23   25   26 
LCS_GDT     P   143_A     P   143_A      5    7   17      2    5    5    5    7    9    9   11   11   12   14   15   15   16   17   17   17   23   23   25 
LCS_GDT     F   144_A     F   144_A      3    7   17      3    3    4    4    7    9    9   11   11   12   13   13   14   16   16   17   17   18   18   19 
LCS_GDT     Q   145_A     Q   145_A      3    7   17      3    3    3    4    7    9    9   11   11   12   13   15   15   16   17   17   17   18   21   25 
LCS_GDT     Q   146_A     Q   146_A      3    8   17      3    4    4    6    7    9    9   11   12   12   14   15   15   16   17   19   20   23   25   26 
LCS_GDT     R   147_A     R   147_A      4    8   17      3    4    5    7    7    9   10   11   12   12   14   15   15   16   18   20   22   29   29   31 
LCS_GDT     D   148_A     D   148_A      5    8   17      3    4    5    7    7    9   10   11   12   12   14   15   15   16   18   23   24   29   29   33 
LCS_GDT     I   149_A     I   149_A      5    8   17      4    4    5    7    7    9   10   11   12   12   14   15   15   16   18   20   22   29   29   31 
LCS_GDT     D   150_A     D   150_A      5    8   17      4    4    5    7    7    9   10   11   12   12   14   15   15   16   20   23   24   29   30   35 
LCS_GDT     I   151_A     I   151_A      5    8   17      4    4    5    7    7    9   10   11   11   12   14   15   15   16   20   23   24   29   30   35 
LCS_GDT     L   152_A     L   152_A      5    8   27      4    4    5    6    7    9   10   10   12   12   14   15   15   20   25   25   36   37   44   44 
LCS_GDT     T   153_A     T   153_A      5    8   27      3    4    5    7    7    9   10   10   12   12   14   15   18   27   29   35   39   46   48   52 
LCS_GDT     S   154_A     S   154_A      5    8   27      3    4    5    7    7    9   10   11   24   29   41   47   51   52   54   56   62   63   68   69 
LCS_GDT     K   155_A     K   155_A      5   24   27      3    3    5    6    7   10   17   33   46   50   55   59   61   65   67   68   68   69   69   69 
LCS_GDT     H   156_A     H   156_A      4   24   27      3   18   29   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F   157_A     F   157_A     13   24   27      3    6   21   29   35   40   46   49   52   57   59   62   65   66   67   68   68   69   69   69 
LCS_GDT     G   158_A     G   158_A     18   24   27      6   17   25   37   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     T   159_A     T   159_A     18   24   27      5   17   25   37   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     A   160_A     A   160_A     18   24   27      3   17   25   37   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     G   161_A     G   161_A     18   24   27      9   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     Y   162_A     Y   162_A     18   24   27      7   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     V   163_A     V   163_A     18   24   27     10   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     I   164_A     I   164_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     S   165_A     S   165_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     Q   166_A     Q   166_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     G   167_A     G   167_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     A   168_A     A   168_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     A   169_A     A   169_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     K   170_A     K   170_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     Y   171_A     Y   171_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L   172_A     L   172_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     I   173_A     I   173_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     A   174_A     A   174_A     18   24   27     12   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     L   175_A     L   175_A     18   24   27      4   23   33   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     F   176_A     F   176_A     17   24   27      4    6   27   37   40   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     E   177_A     E   177_A     16   24   27      4    5   26   38   42   47   49   53   56   57   60   63   65   66   67   68   68   69   69   69 
LCS_GDT     K   178_A     K   178_A      4   24   27      4    4   15   21   31   46   49   53   56   57   59   63   65   66   67   68   68   69   69   69 
LCS_AVERAGE  LCS_A:   8.19  (   4.03    6.15   14.38 )

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     12     23     33     38     42     47     49     53     56     57     60     63     65     66     67     68     68     69     69     69 
GDT PERCENT_AT   5.02   9.62  13.81  15.90  17.57  19.67  20.50  22.18  23.43  23.85  25.10  26.36  27.20  27.62  28.03  28.45  28.45  28.87  28.87  28.87
GDT RMS_LOCAL    0.29   0.65   0.95   1.14   1.34   1.73   1.92   2.35   2.63   2.71   3.23   3.36   3.50   3.53   3.64   3.80   3.80   4.05   4.05   4.05
GDT RMS_ALL_AT  18.23  18.45  17.99  17.77  17.46  17.84  17.84  18.19  18.43  17.94  18.72  18.82  18.51  18.49  18.39  18.43  18.43  18.20  18.20  18.20

# Checking swapping
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  Y    88_A      Y    88_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  F   116_A      F   116_A
#   possible swapping detected:  F   118_A      F   118_A
#   possible swapping detected:  E   120_A      E   120_A
#   possible swapping detected:  E   127_A      E   127_A
#   possible swapping detected:  F   129_A      F   129_A
#   possible swapping detected:  D   150_A      D   150_A
#   possible swapping detected:  F   157_A      F   157_A
#   possible swapping detected:  F   176_A      F   176_A
#   possible swapping detected:  E   177_A      E   177_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D    87_A      D    87_A     4.212     0    0.480   1.062     8.660   46.905   30.417
LGA    Y    88_A      Y    88_A     2.317     0    0.039   1.411     7.260   59.167   55.357
LGA    I    89_A      I    89_A     1.552     0    0.090   1.064     3.205   77.143   75.357
LGA    T    90_A      T    90_A     1.466     0    0.046   0.141     2.361   79.286   74.218
LGA    L    91_A      L    91_A     1.396     0    0.058   1.291     5.409   81.429   65.833
LGA    F    92_A      F    92_A     1.244     0    0.069   1.283     6.136   81.429   60.346
LGA    E    93_A      E    93_A     0.954     0    0.051   0.330     1.491   85.952   85.450
LGA    D    94_A      D    94_A     1.515     0    0.180   1.053     2.639   81.548   76.369
LGA    D    95_A      D    95_A     1.062     0    0.085   0.208     1.674   85.952   81.548
LGA    I    96_A      I    96_A     1.075     0    0.030   0.396     1.474   81.429   81.429
LGA    L    97_A      L    97_A     1.728     0    0.047   1.335     5.071   77.143   67.202
LGA    L    98_A      L    98_A     1.958     0    0.079   0.344     3.146   63.095   63.095
LGA    G    99_A      G    99_A     2.579     0    0.235   0.235     3.524   55.833   55.833
LGA    E   100_A      E   100_A     4.518     0    0.131   0.743     7.816   40.357   25.979
LGA    N   101_A      N   101_A     2.375     0    0.100   0.203     3.773   67.262   59.643
LGA    A   102_A      A   102_A     1.435     0    0.039   0.040     1.990   75.000   74.571
LGA    N   103_A      N   103_A     2.969     0    0.054   0.441     6.522   62.976   42.619
LGA    K   104_A      K   104_A     0.746     0    0.102   1.183     3.159   85.952   77.196
LGA    F   105_A      F   105_A     2.599     0    0.083   1.366     4.281   56.429   57.619
LGA    L   106_A      L   106_A     4.358     0    0.054   1.440     7.058   29.643   34.167
LGA    A   107_A      A   107_A     6.839     0    0.112   0.111     8.835   11.905   12.952
LGA    E   108_A      E   108_A     7.756     0    0.615   1.469     8.244    8.095   11.852
LGA    G   109_A      G   109_A     7.713     0    0.388   0.388     7.713    8.690    8.690
LGA    D   110_A      D   110_A     6.034     0    0.057   0.162     9.924   27.143   16.012
LGA    W   111_A      W   111_A     2.586     0    0.090   1.312    11.806   55.357   23.571
LGA    L   112_A      L   112_A     5.319     0    0.050   0.186    10.266   29.286   16.429
LGA    K   113_A      K   113_A     6.683     0    0.059   1.150    12.027   20.595   10.212
LGA    V   114_A      V   114_A     3.966     0    0.095   1.246     6.143   46.905   36.803
LGA    R   115_A      R   115_A     3.087     0    0.369   1.423     9.450   48.810   27.056
LGA    F   116_A      F   116_A     6.168     0    0.070   1.272    10.335   18.810   11.688
LGA    N   117_A      N   117_A     8.941     0    0.073   0.345    11.856    2.500    1.429
LGA    F   118_A      F   118_A    11.319     0    0.675   1.284    17.064    0.000    0.000
LGA    Q   119_A      Q   119_A     9.374     0    0.580   1.191    10.258    5.000    3.175
LGA    E   120_A      E   120_A     5.905     0    0.722   0.579     7.660   17.500   17.672
LGA    I   121_A      I   121_A     6.593     0    0.322   0.400    12.920   22.262   11.310
LGA    F   122_A      F   122_A     1.089     0    0.673   1.547     8.250   77.262   45.281
LGA    V   123_A      V   123_A     1.604     0    0.069   1.162     2.906   72.857   68.367
LGA    L   124_A      L   124_A     1.825     0    0.196   1.272     5.092   79.405   64.464
LGA    R   125_A      R   125_A     1.899     0    0.066   1.021     7.647   68.810   51.775
LGA    L   126_A      L   126_A     1.408     0    0.049   0.376     3.413   77.143   67.321
LGA    E   127_A      E   127_A     2.727     0    0.082   1.337    10.140   77.738   40.899
LGA    T   128_A      T   128_A     1.422     0    0.152   0.375     5.488   75.119   59.116
LGA    F   129_A      F   129_A     4.254     0    0.604   1.004     9.509   44.048   23.074
LGA    L   130_A      L   130_A     6.120     0    0.099   1.423     9.866   12.976    9.405
LGA    M   131_A      M   131_A    12.665     0    0.060   0.691    17.997    0.119    0.060
LGA    P   132_A      P   132_A    18.776     0    0.630   0.571    22.084    0.000    0.000
LGA    V   133_A      V   133_A    22.813     0    0.634   0.619    25.790    0.000    0.000
LGA    Q   134_A      Q   134_A    25.402     0    0.151   1.335    28.590    0.000    0.000
LGA    L   135_A      L   135_A    29.139     0    0.638   1.057    30.703    0.000    0.000
LGA    E   136_A      E   136_A    34.394     0    0.099   0.268    38.395    0.000    0.000
LGA    K   137_A      K   137_A    37.951     0    0.612   0.966    43.045    0.000    0.000
LGA    Q   138_A      Q   138_A    42.747     0    0.620   1.081    48.479    0.000    0.000
LGA    T   139_A      T   139_A    42.920     0    0.598   0.569    45.261    0.000    0.000
LGA    Q   140_A      Q   140_A    44.032     0    0.319   1.036    46.377    0.000    0.000
LGA    I   141_A      I   141_A    39.895     0    0.090   0.642    40.989    0.000    0.000
LGA    P   142_A      P   142_A    42.729     0    0.593   0.784    44.744    0.000    0.000
LGA    P   143_A      P   143_A    38.103     0    0.549   0.507    39.841    0.000    0.000
LGA    F   144_A      F   144_A    40.439     0    0.658   0.855    41.166    0.000    0.000
LGA    Q   145_A      Q   145_A    43.863     0    0.344   1.133    48.880    0.000    0.000
LGA    Q   146_A      Q   146_A    43.036     0    0.317   0.966    46.940    0.000    0.000
LGA    R   147_A      R   147_A    43.377     0    0.536   1.594    48.641    0.000    0.000
LGA    D   148_A      D   148_A    40.546     0    0.029   1.050    40.838    0.000    0.000
LGA    I   149_A      I   149_A    38.426     0    0.288   1.254    41.977    0.000    0.000
LGA    D   150_A      D   150_A    33.606     0    0.091   1.118    34.871    0.000    0.000
LGA    I   151_A      I   151_A    32.084     0    0.107   1.220    36.611    0.000    0.000
LGA    L   152_A      L   152_A    25.114     0    0.167   1.054    27.752    0.000    0.000
LGA    T   153_A      T   153_A    19.528     0    0.163   0.409    22.438    0.000    0.000
LGA    S   154_A      S   154_A    12.049     0    0.500   0.727    14.867    0.000    0.000
LGA    K   155_A      K   155_A     7.750     0    0.641   0.697    14.407   12.619    6.138
LGA    H   156_A      H   156_A     2.674     0    0.438   0.656     5.403   42.262   42.714
LGA    F   157_A      F   157_A     6.034     0    0.514   1.220    12.814   29.286   11.169
LGA    G   158_A      G   158_A     3.178     0    0.120   0.120     4.054   52.262   52.262
LGA    T   159_A      T   159_A     2.553     0    0.025   0.270     4.131   59.048   54.354
LGA    A   160_A      A   160_A     2.765     0    0.506   0.480     4.242   52.143   51.714
LGA    G   161_A      G   161_A     0.578     0    0.329   0.329     2.048   84.048   84.048
LGA    Y   162_A      Y   162_A     1.434     0    0.091   1.125     5.361   81.429   65.437
LGA    V   163_A      V   163_A     1.184     0    0.074   0.084     2.208   85.952   78.027
LGA    I   164_A      I   164_A     1.293     0    0.051   0.129     1.527   81.429   80.357
LGA    S   165_A      S   165_A     1.925     0    0.030   0.111     2.193   72.857   71.508
LGA    Q   166_A      Q   166_A     1.618     0    0.107   0.566     3.703   72.857   62.751
LGA    G   167_A      G   167_A     1.519     0    0.076   0.076     1.519   79.286   79.286
LGA    A   168_A      A   168_A     1.157     0    0.023   0.031     1.265   85.952   85.048
LGA    A   169_A      A   169_A     0.919     0    0.095   0.099     1.316   83.690   83.238
LGA    K   170_A      K   170_A     1.180     0    0.110   0.192     1.865   79.286   76.667
LGA    Y   171_A      Y   171_A     1.261     0    0.079   0.236     2.108   81.429   77.222
LGA    L   172_A      L   172_A     1.277     0    0.060   1.214     3.793   81.429   74.524
LGA    I   173_A      I   173_A     1.153     0    0.153   1.173     4.071   79.286   70.714
LGA    A   174_A      A   174_A     1.301     0    0.227   0.230     2.022   77.262   78.095
LGA    L   175_A      L   175_A     1.526     0    0.285   1.278     4.321   75.000   68.571
LGA    F   176_A      F   176_A     2.724     0    0.047   1.155    10.120   71.190   32.987
LGA    E   177_A      E   177_A     2.146     0    0.053   0.282     7.434   59.524   38.889
LGA    K   178_A      K   178_A     3.541     0    0.619   0.534     5.515   42.857   37.407

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     758    758  100.00               239
SUMMARY(RMSD_GDC):    13.063         13.050                 13.883           16.337   14.000

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92  239    4.0     53    2.35    19.038    16.665     2.163

LGA_LOCAL      RMSD:   2.350  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.192  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:  13.063  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.459907 * X  +  -0.216791 * Y  +   0.861097 * Z  + -71.478104
  Y_new =  -0.795635 * X  +   0.329973 * Y  +   0.508019 * Z  + -64.565582
  Z_new =  -0.394272 * X  +  -0.918760 * Y  +  -0.020730 * Z  +  72.840805 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.046682  0.405276 -1.593356   [DEG:  -59.9705   23.2206  -91.2926 ]
ZXZ:  2.103806  1.591528 -2.736224   [DEG:  120.5392   91.1878 -156.7741 ]
 
# END of job
