
#######################################################
#                                                     #
#                        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  187 ( 1458),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  126 , 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:    53      91_A - 143_A       4.92    22.51
  LONGEST_CONTINUOUS_SEGMENT:    53      92_A - 147_A       4.91    22.51
  LCS_AVERAGE:     34.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34     124_A - 160_A       1.99    28.10
  LONGEST_CONTINUOUS_SEGMENT:    34     125_A - 161_A       1.88    28.31
  LCS_AVERAGE:     19.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26     126_A - 154_A       0.96    27.11
  LONGEST_CONTINUOUS_SEGMENT:    26     127_A - 155_A       0.97    27.38
  LONGEST_CONTINUOUS_SEGMENT:    26     128_A - 156_A       0.99    27.54
  LCS_AVERAGE:     13.86

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     R    59_A     R    59_A      3    4   10      3    3    3    4    7    9   12   16   17   23   28   29   30   31   32   33   34   35   36   49 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    3    4    8   10   12   15   18   23   28   29   30   31   32   33   34   35   36   49 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    3    4    7    9   12   16   17   23   28   29   30   31   32   33   37   40   43   49 
LCS_GDT     K    62_A     K    62_A      3    4   10      3    4    4    4    4    7   11   16   16   22   28   29   30   31   32   35   38   48   51   58 
LCS_GDT     L    63_A     L    63_A      3    3   12      3    4    4    4    5    7   11   12   15   23   28   29   30   31   32   33   37   40   43   47 
LCS_GDT     R    64_A     R    64_A      4    5   13      3    4    4    5    5    5   11   12   14   15   24   26   30   31   32   33   34   35   37   43 
LCS_GDT     K    65_A     K    65_A      4    5   13      3    4    4    5    5    5    5    8    9   11   12   15   19   31   32   33   34   35   37   42 
LCS_GDT     H    66_A     H    66_A      4    5   13      3    4    4    5    5    6    8    8    9   11   12   15   19   22   23   27   34   35   37   42 
LCS_GDT     L    67_A     L    67_A      4    5   13      3    4    4    5    5    6    8    8   14   23   24   29   29   31   31   33   34   35   37   42 
LCS_GDT     V    68_A     V    68_A      3    5   51      0    3    3    5    8   10   13   15   19   23   28   29   30   31   33   38   40   45   51   61 
LCS_GDT     E    69_A     E    69_A      3    3   51      1    3    3    4    5    9   14   18   22   30   38   41   46   50   53   55   60   61   63   65 
LCS_GDT     I    70_A     I    70_A      3    3   51      1    4    4    4    5    5    6    8   11   14   34   37   42   50   53   55   60   61   63   65 
LCS_GDT     N    71_A     N    71_A      3    4   51      3    9   16   23   28   28   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     A    72_A     A    72_A      4    5   51      4    7   17   24   26   28   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     D    73_A     D    73_A      4    5   51      3    4    4    7   10   13   23   27   30   32   36   40   42   46   48   51   55   58   60   63 
LCS_GDT     E    74_A     E    74_A      4    5   51      3    5    5    7   10   21   23   30   31   35   39   42   45   48   51   55   57   59   63   65 
LCS_GDT     I    75_A     I    75_A      4    5   51      3    5   17   20   23   25   29   32   35   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     T    76_A     T    76_A      3    5   51      1    5    7   19   24   26   29   32   35   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     I    77_A     I    77_A      3    3   51      1    6   12   21   25   26   28   32   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     T    78_A     T    78_A      3   30   51      1    3   20   26   28   29   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     L    79_A     L    79_A      3   30   51      0    3    9   26   28   29   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     S    80_A     S    80_A      4   30   51      3    3   24   26   28   29   31   33   36   40   44   44   47   49   50   55   60   61   63   65 
LCS_GDT     R    81_A     R    81_A      4   30   51      3    3    4    5    6   21   28   31   32   33   35   37   39   41   44   48   48   52   52   54 
LCS_GDT     Y    82_A     Y    82_A      4   30   51      3    3    4    5    8   13   29   31   34   35   37   40   43   46   47   49   51   52   55   62 
LCS_GDT     T    83_A     T    83_A     24   30   51      4    9   23   25   28   29   31   33   36   40   44   44   47   49   49   54   60   61   63   65 
LCS_GDT     S    84_A     S    84_A     24   30   51     14   20   24   26   28   29   31   33   36   40   44   44   47   49   49   55   60   61   63   65 
LCS_GDT     P    85_A     P    85_A     24   30   51     14   20   24   26   28   29   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     E    86_A     E    86_A     24   30   51     14   20   24   26   28   29   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     A    87_A     A    87_A     24   30   51     14   20   24   26   28   29   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     L    88_A     L    88_A     24   30   51     14   20   24   26   28   29   31   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     E    89_A     E    89_A     24   30   51     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     R    90_A     R    90_A     24   30   51     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     S    91_A     S    91_A     24   30   53     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     I    92_A     I    92_A     24   30   53     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     T    93_A     T    93_A     24   30   53     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     A    94_A     A    94_A     24   30   53     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     L    95_A     L    95_A     24   30   53     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     A    96_A     A    96_A     24   30   53     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     A    97_A     A    97_A     24   30   53     10   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     M    98_A     M    98_A     24   30   53      9   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     T    99_A     T    99_A     24   30   53     14   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     G   100_A     G   100_A     24   30   53     10   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     H   101_A     H   101_A     24   30   53     10   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     A   102_A     A   102_A     24   30   53      7   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     P   103_A     P   103_A     24   30   53     10   20   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     S   104_A     S   104_A     24   30   53      9   17   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     S   105_A     S   105_A     24   30   53      8   16   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     I   106_A     I   106_A     24   30   53      9   18   24   26   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     K   107_A     K   107_A     22   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     E   108_A     E   108_A     18   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     E   109_A     E   109_A     18   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     C   110_A     C   110_A     18   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     V   111_A     V   111_A     18   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     E   112_A     E   112_A     18   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     L   113_A     L   113_A     18   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     I   114_A     I   114_A     17   30   53      9   14   20   24   28   29   32   33   36   40   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     D   115_A     D   115_A     17   30   53      9   14   20   24   28   29   32   33   36   39   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     K   116_A     K   116_A     17   30   53      6   13   19   24   28   29   32   33   36   39   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     L   117_A     L   117_A     17   30   53      4   11   20   24   28   29   32   33   36   39   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     D   118_A     D   118_A     16   30   53      1    4    7   16   28   29   32   33   36   39   41   44   47   50   53   55   60   61   63   65 
LCS_GDT     W   119_A     W   119_A      3   16   53      0    3    7    9   12   18   26   30   36   38   40   44   47   50   53   55   60   61   63   65 
LCS_GDT     L   120_A     L   120_A     14   32   53      4    8   16   23   25   28   30   32   36   38   40   44   47   50   53   55   60   61   63   65 
LCS_GDT     R   121_A     R   121_A     23   33   53      7   16   20   25   29   30   32   33   36   38   40   44   47   50   53   55   60   61   63   65 
LCS_GDT     V   122_A     V   122_A     23   33   53      4   15   20   23   26   29   30   32   34   35   38   43   47   50   52   55   58   60   63   65 
LCS_GDT     E   123_A     E   123_A     23   33   53      4    8   20   23   25   28   30   32   32   35   38   43   47   50   52   55   60   61   63   65 
LCS_GDT     N   124_A     N   124_A     23   34   53      5   16   20   25   29   30   32   33   36   39   40   44   47   50   53   55   60   61   63   65 
LCS_GDT     D   125_A     D   125_A     25   34   53      4   18   23   27   31   32   33   34   36   38   40   44   47   50   53   55   60   61   63   65 
LCS_GDT     V   126_A     V   126_A     26   34   53      4    9   23   27   31   32   33   34   36   38   40   44   47   50   53   55   60   61   63   65 
LCS_GDT     I   127_A     I   127_A     26   34   53      4   18   24   27   31   32   33   34   34   38   39   43   47   50   52   55   57   60   63   65 
LCS_GDT     Q   128_A     Q   128_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   60   62 
LCS_GDT     Y   129_A     Y   129_A     26   34   53     12   17   25   28   31   32   33   34   34   35   37   42   47   50   52   55   56   57   59   61 
LCS_GDT     P   130_A     P   130_A     26   34   53     12   17   25   28   31   32   33   34   34   35   36   41   47   50   52   53   55   56   59   61 
LCS_GDT     T   131_A     T   131_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     L   132_A     L   132_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   60   62 
LCS_GDT     S   133_A     S   133_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     K   134_A     K   134_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     L   135_A     L   135_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     L   136_A     L   136_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     E   137_A     E   137_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     L   138_A     L   138_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     Y   139_A     Y   139_A     26   34   53     10   18   25   28   31   32   33   34   34   35   37   43   47   50   52   55   56   57   59   61 
LCS_GDT     N   140_A     N   140_A     26   34   53     12   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     S   141_A     S   141_A     26   34   53     10   18   25   28   31   32   33   34   34   35   38   43   47   50   52   55   56   57   59   61 
LCS_GDT     Q   142_A     Q   142_A     26   34   53      6   18   25   28   31   32   33   34   34   35   36   37   40   48   52   55   56   57   59   61 
LCS_GDT     N   143_A     N   143_A     26   34   53      6   17   25   28   31   32   33   34   34   35   36   41   47   50   52   55   56   57   59   61 
LCS_GDT     H   147_A     H   147_A     26   34   53      9   18   25   28   31   32   33   34   34   37   39   42   46   48   51   55   56   57   59   61 
LCS_GDT     L   148_A     L   148_A     26   34   51     10   18   25   28   31   32   33   34   34   38   39   42   46   48   51   55   56   57   60   62 
LCS_GDT     S   149_A     S   149_A     26   34   43     10   18   25   28   31   32   33   34   34   38   39   42   46   48   52   53   56   59   60   65 
LCS_GDT     I   150_A     I   150_A     26   34   43     10   18   25   28   31   32   33   34   34   38   39   42   46   48   52   53   56   59   60   65 
LCS_GDT     E   151_A     E   151_A     26   34   43     10   18   25   28   31   32   33   34   34   35   36   43   47   49   53   55   58   61   63   65 
LCS_GDT     K   152_A     K   152_A     26   34   43     10   18   25   28   31   32   33   34   36   39   41   44   47   50   53   55   60   61   63   65 
LCS_GDT     L   153_A     L   153_A     26   34   43     10   16   25   28   31   32   33   34   36   38   39   43   47   50   53   55   60   61   63   65 
LCS_GDT     I   154_A     I   154_A     26   34   43     10   18   25   28   31   32   33   34   36   39   41   44   47   50   53   55   60   61   63   65 
LCS_GDT     A   155_A     A   155_A     26   34   43     10   16   25   28   31   32   33   34   35   39   44   44   47   50   53   55   60   61   63   65 
LCS_GDT     G   156_A     G   156_A     26   34   43     10   15   25   28   31   32   33   34   34   35   36   37   38   38   52   55   60   61   63   65 
LCS_GDT     L   157_A     L   157_A     20   34   43     10   14   22   28   31   32   33   34   34   35   36   37   38   38   48   55   60   61   63   65 
LCS_GDT     A   158_A     A   158_A     20   34   43      8   15   25   28   31   32   33   34   34   35   36   37   43   46   47   54   60   61   62   64 
LCS_GDT     V   159_A     V   159_A     17   34   43      4   14   16   25   30   32   33   34   34   35   36   37   38   38   39   39   39   41   41   41 
LCS_GDT     R   160_A     R   160_A     16   34   43      9   14   15   22   29   32   33   34   34   35   36   37   38   38   39   39   39   41   41   41 
LCS_GDT     R   161_A     R   161_A     16   34   43      9   11   14   22   29   31   33   34   34   35   36   37   38   38   39   39   39   41   41   41 
LCS_GDT     K   162_A     K   162_A     13   14   43      9   11   12   13   13   13   14   16   22   25   28   32   34   35   36   38   39   41   41   41 
LCS_GDT     V   163_A     V   163_A     13   14   43      9   11   12   13   13   13   14   16   18   19   21   26   29   32   36   37   39   41   41   41 
LCS_GDT     C   164_A     C   164_A     13   14   43      8   11   12   13   13   13   14   16   18   22   28   29   30   31   34   37   39   41   41   41 
LCS_GDT     K   165_A     K   165_A     13   14   43      9   11   12   13   13   13   14   16   18   22   28   29   30   33   36   37   39   41   41   41 
LCS_GDT     L   166_A     L   166_A     13   14   39      9   11   12   13   13   13   14   16   19   23   28   29   30   31   32   33   34   35   36   38 
LCS_GDT     V   167_A     V   167_A     13   14   25      9   11   12   13   13   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     Q   168_A     Q   168_A     13   14   25      9   11   12   13   13   13   14   16   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     D   169_A     D   169_A     13   14   25      9   11   12   13   13   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     G   170_A     G   170_A     13   18   25      4   11   12   13   13   13   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     H   171_A     H   171_A     16   18   25      4   16   16   16   16   16   16   17   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     I   172_A     I   172_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     D   173_A     D   173_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     E   174_A     E   174_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     T   175_A     T   175_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     V   176_A     V   176_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     Y   177_A     Y   177_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     R   178_A     R   178_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     A   179_A     A   179_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     L   180_A     L   180_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     D   181_A     D   181_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     E   182_A     E   182_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     M   183_A     M   183_A     16   18   25     15   16   16   16   16   16   16   18   19   23   26   29   30   31   32   33   34   35   36   37 
LCS_GDT     A   184_A     A   184_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     A   185_A     A   185_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     G   186_A     G   186_A     16   18   25     15   16   16   16   16   16   16   18   19   23   28   29   30   31   32   33   34   35   36   37 
LCS_GDT     A   187_A     A   187_A      3   18   25      0    3    3    3    5    6   13   17   17   17   18   18   20   21   22   24   26   28   35   35 
LCS_AVERAGE  LCS_A:  22.61  (  13.86   19.43   34.55 )

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     15     20     25     28     31     32     33     34     36     40     44     44     47     50     53     55     60     61     63     65 
GDT PERCENT_AT  11.90  15.87  19.84  22.22  24.60  25.40  26.19  26.98  28.57  31.75  34.92  34.92  37.30  39.68  42.06  43.65  47.62  48.41  50.00  51.59
GDT RMS_LOCAL    0.26   0.54   0.89   1.11   1.34   1.52   1.76   1.88   2.49   2.91   3.33   3.33   3.78   4.61   4.70   4.87   5.52   5.56   5.73   5.95
GDT RMS_ALL_AT  29.23  24.44  27.40  27.65  27.65  27.93  28.29  28.31  23.46  23.36  22.55  22.55  21.93  22.75  20.89  20.96  20.67  20.69  20.64  20.62

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  Y    82_A      Y    82_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  E   182_A      E   182_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    44.706     6    0.079   0.107    46.811    0.000    0.000
LGA    R    60_A      R    60_A    42.542     6    0.176   0.166    44.526    0.000    0.000
LGA    V    61_A      V    61_A    41.413     0    0.572   0.624    46.001    0.000    0.000
LGA    K    62_A      K    62_A    35.919     0    0.621   0.800    37.983    0.000    0.000
LGA    L    63_A      L    63_A    35.048     0    0.610   0.726    40.749    0.000    0.000
LGA    R    64_A      R    64_A    32.315     6    0.563   0.572    33.671    0.000    0.000
LGA    K    65_A      K    65_A    31.209     0    0.032   0.293    31.504    0.000    0.000
LGA    H    66_A      H    66_A    27.963     0    0.144   0.915    29.023    0.000    0.000
LGA    L    67_A      L    67_A    27.658     0    0.627   0.657    27.988    0.000    0.000
LGA    V    68_A      V    68_A    29.528     0    0.622   0.908    34.095    0.000    0.000
LGA    E    69_A      E    69_A    26.241     0    0.614   0.612    27.462    0.000    0.000
LGA    I    70_A      I    70_A    26.799     0    0.591   0.719    29.784    0.000    0.000
LGA    N    71_A      N    71_A    27.309     0    0.643   0.653    28.776    0.000    0.000
LGA    A    72_A      A    72_A    31.251     0    0.577   0.557    33.223    0.000    0.000
LGA    D    73_A      D    73_A    27.891     0    0.335   0.414    31.585    0.000    0.000
LGA    E    74_A      E    74_A    25.195     0    0.147   1.348    27.464    0.000    0.000
LGA    I    75_A      I    75_A    27.386     0    0.571   0.773    33.468    0.000    0.000
LGA    T    76_A      T    76_A    23.166     0    0.603   0.528    24.572    0.000    0.000
LGA    I    77_A      I    77_A    20.404     0    0.624   0.716    21.525    0.000    0.000
LGA    T    78_A      T    78_A    20.510     0    0.589   0.559    22.431    0.000    0.000
LGA    L    79_A      L    79_A    23.131     0    0.615   0.785    29.278    0.000    0.000
LGA    S    80_A      S    80_A    18.529     0    0.657   0.599    20.302    0.000    0.000
LGA    R    81_A      R    81_A    21.764     0    0.053   1.278    25.253    0.000    0.000
LGA    Y    82_A      Y    82_A    26.464     0    0.612   1.232    28.250    0.000    0.000
LGA    T    83_A      T    83_A    28.287     0    0.633   0.914    31.229    0.000    0.000
LGA    S    84_A      S    84_A    35.806     0    0.065   0.226    38.859    0.000    0.000
LGA    P    85_A      P    85_A    39.926     0    0.098   0.099    41.817    0.000    0.000
LGA    E    86_A      E    86_A    44.126     0    0.130   1.045    47.594    0.000    0.000
LGA    A    87_A      A    87_A    37.996     0    0.016   0.035    39.981    0.000    0.000
LGA    L    88_A      L    88_A    36.126     0    0.084   0.241    38.573    0.000    0.000
LGA    E    89_A      E    89_A    43.484     0    0.061   0.950    48.856    0.000    0.000
LGA    R    90_A      R    90_A    43.035     0    0.052   1.157    45.954    0.000    0.000
LGA    S    91_A      S    91_A    36.636     0    0.056   0.078    38.676    0.000    0.000
LGA    I    92_A      I    92_A    40.826     0    0.062   0.222    44.296    0.000    0.000
LGA    T    93_A      T    93_A    46.348     0    0.024   0.289    50.273    0.000    0.000
LGA    A    94_A      A    94_A    41.414     0    0.035   0.032    42.888    0.000    0.000
LGA    L    95_A      L    95_A    39.660     0    0.045   1.230    42.905    0.000    0.000
LGA    A    96_A      A    96_A    47.225     0    0.067   0.096    49.585    0.000    0.000
LGA    A    97_A      A    97_A    48.795     0    0.048   0.076    48.795    0.000    0.000
LGA    M    98_A      M    98_A    43.645     0    0.036   0.645    45.155    0.000    0.000
LGA    T    99_A      T    99_A    46.237     0    0.029   0.093    50.497    0.000    0.000
LGA    G   100_A      G   100_A    53.395     0    0.062   0.062    56.411    0.000    0.000
LGA    H   101_A      H   101_A    52.333     5    0.035   0.044    53.112    0.000    0.000
LGA    A   102_A      A   102_A    55.510     0    0.074   0.128    57.454    0.000    0.000
LGA    P   103_A      P   103_A    51.291     0    0.040   0.057    55.192    0.000    0.000
LGA    S   104_A      S   104_A    52.971     0    0.040   0.178    56.931    0.000    0.000
LGA    S   105_A      S   105_A    50.372     0    0.009   0.628    52.742    0.000    0.000
LGA    I   106_A      I   106_A    43.660     0    0.035   0.555    46.503    0.000    0.000
LGA    K   107_A      K   107_A    43.091     0    0.020   0.259    47.860    0.000    0.000
LGA    E   108_A      E   108_A    44.216     3    0.053   0.732    47.766    0.000    0.000
LGA    E   109_A      E   109_A    39.557     0    0.052   0.930    42.693    0.000    0.000
LGA    C   110_A      C   110_A    34.180     0    0.056   0.217    36.499    0.000    0.000
LGA    V   111_A      V   111_A    35.098     0    0.044   0.087    38.429    0.000    0.000
LGA    E   112_A      E   112_A    34.909     0    0.022   0.944    42.601    0.000    0.000
LGA    L   113_A      L   113_A    28.776     0    0.032   1.449    31.301    0.000    0.000
LGA    I   114_A      I   114_A    24.892     0    0.106   0.108    28.005    0.000    0.000
LGA    D   115_A      D   115_A    27.077     0    0.144   1.426    31.024    0.000    0.000
LGA    K   116_A      K   116_A    25.318     2    0.199   0.190    31.282    0.000    0.000
LGA    L   117_A      L   117_A    18.144     0    0.652   0.696    20.914    0.000    0.000
LGA    D   118_A      D   118_A    14.806     0    0.636   0.738    16.004    0.000    0.000
LGA    W   119_A      W   119_A    14.386     0    0.713   1.209    24.646    0.000    0.000
LGA    L   120_A      L   120_A     8.208     0    0.657   0.582    10.330    9.881   11.607
LGA    R   121_A      R   121_A     6.461     0    0.080   0.953     8.344   11.310   14.892
LGA    V   122_A      V   122_A     8.008     0    0.154   0.185     9.138    7.500    6.939
LGA    E   123_A      E   123_A    10.012     4    0.044   0.042    10.189    0.833    0.370
LGA    N   124_A      N   124_A     7.242     0    0.072   0.168     9.731   16.905    9.643
LGA    D   125_A      D   125_A     3.917     0    0.045   0.666     5.515   36.071   35.536
LGA    V   126_A      V   126_A     2.512     0    0.029   0.099     3.209   64.881   60.612
LGA    I   127_A      I   127_A     2.656     0    0.052   0.198     5.170   62.976   52.083
LGA    Q   128_A      Q   128_A     0.839     0    0.054   1.052     2.767   88.452   82.910
LGA    Y   129_A      Y   129_A     0.916     0    0.038   0.280     3.074   92.857   72.341
LGA    P   130_A      P   130_A     2.015     0    0.038   0.056     2.672   70.952   68.367
LGA    T   131_A      T   131_A     2.231     0    0.023   0.062     3.495   70.833   63.946
LGA    L   132_A      L   132_A     1.126     0    0.035   0.620     3.007   88.333   77.798
LGA    S   133_A      S   133_A     0.702     0    0.064   0.570     3.108   92.857   83.810
LGA    K   134_A      K   134_A     1.742     4    0.066   0.067     2.214   75.000   40.529
LGA    L   135_A      L   135_A     1.553     0    0.020   1.210     5.103   79.286   62.857
LGA    L   136_A      L   136_A     0.573     0    0.037   0.534     2.453   95.238   85.238
LGA    E   137_A      E   137_A     1.075     4    0.042   0.042     1.683   83.690   45.291
LGA    L   138_A      L   138_A     1.732     3    0.028   0.029     2.251   77.143   46.667
LGA    Y   139_A      Y   139_A     1.101     0    0.010   0.034     2.302   85.952   78.016
LGA    N   140_A      N   140_A     0.240     0    0.028   0.096     0.808  100.000   96.429
LGA    S   141_A      S   141_A     0.682     0    0.176   0.201     1.303   88.214   85.952
LGA    Q   142_A      Q   142_A     1.507     4    0.137   0.133     1.994   75.000   41.429
LGA    N   143_A      N   143_A     1.657     3    0.091   0.085     1.861   77.143   47.679
LGA    H   147_A      H   147_A     0.656     0    0.148   1.178     2.821   92.857   83.762
LGA    L   148_A      L   148_A     1.057     0    0.048   0.112     1.143   83.690   82.560
LGA    S   149_A      S   149_A     1.174     0    0.020   0.246     1.372   81.429   81.429
LGA    I   150_A      I   150_A     1.596     0    0.010   0.460     2.286   79.286   75.119
LGA    E   151_A      E   151_A     1.301     0    0.026   0.148     2.081   85.952   78.730
LGA    K   152_A      K   152_A     0.422     0    0.047   0.723     2.070   92.857   89.788
LGA    L   153_A      L   153_A     1.238     0    0.050   0.096     2.132   79.286   76.131
LGA    I   154_A      I   154_A     1.332     0    0.015   0.068     2.174   83.690   79.405
LGA    A   155_A      A   155_A     0.470     0    0.081   0.096     0.753   92.857   94.286
LGA    G   156_A      G   156_A     1.338     0    0.038   0.038     1.790   77.143   77.143
LGA    L   157_A      L   157_A     1.820     0    0.078   0.153     2.269   70.833   70.833
LGA    A   158_A      A   158_A     1.290     0    0.173   0.188     1.682   77.143   79.810
LGA    V   159_A      V   159_A     2.906     0    0.396   1.341     3.762   53.810   53.265
LGA    R   160_A      R   160_A     3.847     0    0.565   1.099     6.628   34.524   49.913
LGA    R   161_A      R   161_A     4.590     0    0.044   0.957     8.451   22.381   25.671
LGA    K   162_A      K   162_A    11.779     0    0.076   0.730    20.590    0.357    0.159
LGA    V   163_A      V   163_A    13.511     0    0.053   0.190    16.167    0.000    0.000
LGA    C   164_A      C   164_A    12.789     0    0.065   0.071    15.794    0.000    0.000
LGA    K   165_A      K   165_A    14.397     0    0.045   0.595    18.857    0.000    0.000
LGA    L   166_A      L   166_A    20.645     0    0.072   0.142    24.015    0.000    0.000
LGA    V   167_A      V   167_A    22.164     0    0.037   0.110    25.039    0.000    0.000
LGA    Q   168_A      Q   168_A    21.520     0    0.020   1.080    24.956    0.000    0.000
LGA    D   169_A      D   169_A    25.162     0    0.054   1.081    29.704    0.000    0.000
LGA    G   170_A      G   170_A    30.520     0    0.054   0.054    33.383    0.000    0.000
LGA    H   171_A      H   171_A    30.244     0    0.427   0.959    31.136    0.000    0.000
LGA    I   172_A      I   172_A    29.771     0    0.056   0.637    30.142    0.000    0.000
LGA    D   173_A      D   173_A    30.384     0    0.048   0.232    31.232    0.000    0.000
LGA    E   174_A      E   174_A    29.819     4    0.016   0.027    30.137    0.000    0.000
LGA    T   175_A      T   175_A    29.553     0    0.011   1.222    29.971    0.000    0.000
LGA    V   176_A      V   176_A    29.391     0    0.014   0.046    29.942    0.000    0.000
LGA    Y   177_A      Y   177_A    29.117     7    0.011   0.019    29.342    0.000    0.000
LGA    R   178_A      R   178_A    29.072     0    0.055   0.777    29.160    0.000    0.000
LGA    A   179_A      A   179_A    28.990     0    0.056   0.056    29.279    0.000    0.000
LGA    L   180_A      L   180_A    28.980     0    0.023   0.101    29.139    0.000    0.000
LGA    D   181_A      D   181_A    29.202     0    0.021   0.191    29.583    0.000    0.000
LGA    E   182_A      E   182_A    29.471     0    0.023   0.238    29.893    0.000    0.000
LGA    M   183_A      M   183_A    29.898     0    0.075   0.974    30.391    0.000    0.000
LGA    A   184_A      A   184_A    30.104     0    0.014   0.032    30.809    0.000    0.000
LGA    A   185_A      A   185_A    30.717     0    0.078   0.108    31.173    0.000    0.000
LGA    G   186_A      G   186_A    30.889     0    0.613   0.613    35.327    0.000    0.000
LGA    A   187_A      A   187_A    35.429     0    0.106   0.167    35.848    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):    18.557         18.511                 18.605           21.106   18.801

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     34    1.88    27.183    25.764     1.720

LGA_LOCAL      RMSD:   1.876  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.315  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  18.557  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.587325 * X  +   0.801142 * Y  +  -0.114979 * Z  +  -0.975004
  Y_new =   0.760732 * X  +  -0.497948 * Y  +   0.416335 * Z  +  11.450670
  Z_new =   0.276291 * X  +  -0.331992 * Y  +  -0.901912 * Z  +  14.565020 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.913330 -0.279932 -2.788886   [DEG:   52.3300  -16.0389 -159.7914 ]
ZXZ: -2.872140  2.694972  2.447512   [DEG: -164.5615  154.4105  140.2321 ]
 
# END of job
