
#######################################################
#                                                     #
#                        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:    37     120_A - 159_A       4.84    26.61
  LONGEST_CONTINUOUS_SEGMENT:    37     121_A - 160_A       4.82    26.86
  LCS_AVERAGE:     25.79

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      73_A - 99_A        2.00    27.35
  LONGEST_CONTINUOUS_SEGMENT:    27      74_A - 100_A       1.75    27.15
  LCS_AVERAGE:     12.74

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      84_A - 99_A        0.96    26.52
  LONGEST_CONTINUOUS_SEGMENT:    16      85_A - 100_A       0.97    26.80
  LCS_AVERAGE:      8.34

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   11      3    3    4    4    4    5    7    7    8   10   13   16   22   27   30   33   39   44   46   49 
LCS_GDT     R    60_A     R    60_A      3    4   11      3    3    4    4    4    5    7    7    8   10   11   16   18   20   29   32   38   44   46   49 
LCS_GDT     V    61_A     V    61_A      3    4   11      3    3    4    4    4    5    8    9    9   12   13   22   26   31   32   38   44   49   52   56 
LCS_GDT     K    62_A     K    62_A      3    4   11      1    3    4    4    4    5    7   10   15   19   22   26   28   31   36   39   45   49   51   54 
LCS_GDT     L    63_A     L    63_A      3    4   13      0    3    4    4    5    7   11   12   16   19   24   28   33   36   40   45   47   49   53   54 
LCS_GDT     R    64_A     R    64_A      4    5   14      4    4    5    6    6    6   11   12   19   23   25   28   31   31   36   39   47   49   53   54 
LCS_GDT     K    65_A     K    65_A      4    5   14      4    4    5    6    6    6    7    9   14   15   17   18   20   21   26   29   34   42   47   52 
LCS_GDT     H    66_A     H    66_A      4    5   14      4    4    5    6    6    6    6    7    8   10   11   17   20   21   23   24   27   33   37   42 
LCS_GDT     L    67_A     L    67_A      4    5   34      4    4    5    6    6    6    6    7    8   10   15   17   20   22   33   43   47   48   51   54 
LCS_GDT     V    68_A     V    68_A      3    5   34      3    3    4    6    6    7   11   12   14   23   28   34   36   39   43   46   48   50   54   57 
LCS_GDT     E    69_A     E    69_A      3    3   34      3    3    4    4    6    7   11   12   19   23   25   28   33   36   43   46   47   50   54   57 
LCS_GDT     I    70_A     I    70_A      4    5   34      3    3    4    6    8   10   12   17   19   23   28   34   36   39   43   46   48   50   54   57 
LCS_GDT     N    71_A     N    71_A      4    5   34      3    3    4    6    9   17   18   20   23   29   31   34   37   39   43   46   48   50   55   57 
LCS_GDT     A    72_A     A    72_A      4   10   34      3    4    7    9   10   15   21   25   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     D    73_A     D    73_A      6   27   34      3    4    7   12   18   22   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     E    74_A     E    74_A      7   27   34      7   16   21   24   25   26   27   27   28   29   31   35   36   39   43   46   48   50   55   57 
LCS_GDT     I    75_A     I    75_A      7   27   34      4   16   21   24   25   26   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     T    76_A     T    76_A      7   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     I    77_A     I    77_A      7   27   34      4   11   21   24   25   26   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     T    78_A     T    78_A      7   27   34      5   16   21   24   25   26   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     L    79_A     L    79_A      7   27   34      3    6   20   24   25   26   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     S    80_A     S    80_A      7   27   34      3   13   21   24   25   26   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     R    81_A     R    81_A      3   27   34      3    3    7    9   20   26   27   27   28   29   32   35   37   39   43   46   48   50   55   57 
LCS_GDT     Y    82_A     Y    82_A      3   27   34      0    3    4   16   25   26   27   27   28   29   32   35   37   39   41   45   47   49   55   57 
LCS_GDT     T    83_A     T    83_A      3   27   34      3    3    4    5    6   11   16   27   28   29   30   35   37   39   41   45   47   49   53   54 
LCS_GDT     S    84_A     S    84_A     16   27   34      5   11   20   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   55   56 
LCS_GDT     P    85_A     P    85_A     16   27   34      5   13   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     E    86_A     E    86_A     16   27   34      6   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   51   54 
LCS_GDT     A    87_A     A    87_A     16   27   34      6   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     L    88_A     L    88_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   55   56 
LCS_GDT     E    89_A     E    89_A     16   27   34      6   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     R    90_A     R    90_A     16   27   34      6   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     S    91_A     S    91_A     16   27   34      6   14   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   55   56 
LCS_GDT     I    92_A     I    92_A     16   27   34      7   14   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     T    93_A     T    93_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     A    94_A     A    94_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     L    95_A     L    95_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     A    96_A     A    96_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     A    97_A     A    97_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     M    98_A     M    98_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     T    99_A     T    99_A     16   27   34      7   16   21   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     G   100_A     G   100_A     16   27   34      3   12   19   24   25   26   27   27   28   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     H   101_A     H   101_A     10   18   34      3    8   13   16   16   19   19   20   25   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     A   102_A     A   102_A     13   18   34      4    8   13   16   17   19   19   19   20   22   29   34   37   39   41   45   47   49   53   54 
LCS_GDT     P   103_A     P   103_A     15   18   34      5   12   14   16   17   19   19   19   20   23   25   28   31   34   38   45   47   49   53   54 
LCS_GDT     S   104_A     S   104_A     15   18   32      4   12   14   16   17   19   19   19   20   23   25   28   31   31   36   39   44   49   53   54 
LCS_GDT     S   105_A     S   105_A     15   18   28      7   12   14   16   17   19   19   19   20   23   25   31   34   37   40   45   47   49   53   54 
LCS_GDT     I   106_A     I   106_A     15   18   28      5   12   14   16   17   19   19   19   21   27   31   34   37   39   41   45   47   49   53   54 
LCS_GDT     K   107_A     K   107_A     15   18   28      5   12   14   16   17   19   19   19   20   23   25   30   33   36   40   45   47   49   53   54 
LCS_GDT     E   108_A     E   108_A     15   18   28      6   12   14   16   17   19   19   19   20   23   28   32   34   38   40   45   47   49   53   54 
LCS_GDT     E   109_A     E   109_A     15   18   28      7   12   14   16   17   19   19   19   22   27   31   34   37   39   41   45   47   49   53   54 
LCS_GDT     C   110_A     C   110_A     15   18   28      7   12   14   16   17   19   19   19   24   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     V   111_A     V   111_A     15   18   28      7   12   14   16   17   19   19   19   20   27   31   34   37   39   41   45   47   49   53   54 
LCS_GDT     E   112_A     E   112_A     15   18   28      7   12   14   16   17   19   19   19   23   29   31   34   37   39   41   45   47   49   53   54 
LCS_GDT     L   113_A     L   113_A     15   18   28      7   12   14   16   17   19   19   19   25   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     I   114_A     I   114_A     15   18   28      7   12   14   16   17   19   19   19   22   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     D   115_A     D   115_A     15   18   28      6   12   14   16   17   19   19   22   26   29   32   35   37   39   41   45   47   49   53   54 
LCS_GDT     K   116_A     K   116_A     15   18   28      6   12   14   16   17   19   19   19   20   23   29   35   37   39   41   45   47   49   53   54 
LCS_GDT     L   117_A     L   117_A     15   18   28      4    5   14   15   17   19   19   19   20   23   25   28   33   39   43   46   48   50   55   57 
LCS_GDT     D   118_A     D   118_A     14   18   35      0    3    4   13   16   19   19   19   20   23   25   28   31   33   39   45   48   50   55   57 
LCS_GDT     W   119_A     W   119_A      3   18   36      3    3    4   10   15   16   16   20   23   25   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     L   120_A     L   120_A      4    5   37      3    4    4    6    6    9   12   20   22   25   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     R   121_A     R   121_A      4    5   37      3    4    4    7   11   16   18   24   28   29   31   34   36   39   43   46   48   50   55   57 
LCS_GDT     V   122_A     V   122_A      4    6   37      3    4    5    6   14   20   24   26   28   29   31   34   36   39   43   46   48   50   55   57 
LCS_GDT     E   123_A     E   123_A      4    6   37      3    4    5   10   16   20   24   26   28   29   31   33   36   39   43   46   48   50   55   57 
LCS_GDT     N   124_A     N   124_A      4    6   37      3    3    5    6   15   20   24   26   28   29   31   33   34   39   43   46   48   50   55   57 
LCS_GDT     D   125_A     D   125_A      4    6   37      3    3    5    6   16   20   24   26   28   29   31   33   34   35   38   38   45   48   54   57 
LCS_GDT     V   126_A     V   126_A      4    7   37      3    3    5    6   11   15   24   26   28   29   31   33   34   35   38   38   43   48   55   57 
LCS_GDT     I   127_A     I   127_A      5   16   37      3    3    5   10   14   19   24   26   28   29   31   33   34   35   38   38   40   43   48   52 
LCS_GDT     Q   128_A     Q   128_A      5   16   37      3    3    5   10   14   20   24   26   28   29   31   33   34   35   38   38   40   42   44   48 
LCS_GDT     Y   129_A     Y   129_A      5   16   37      0    3    5   10   14   20   24   26   28   29   31   33   34   35   38   38   40   44   46   48 
LCS_GDT     P   130_A     P   130_A     13   16   37      3    4    8   15   16   20   24   26   28   29   31   33   34   35   38   38   40   43   46   48 
LCS_GDT     T   131_A     T   131_A     13   16   37      3   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   44   48 
LCS_GDT     L   132_A     L   132_A     13   16   37      3   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   44   46   48 
LCS_GDT     S   133_A     S   133_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   44   46   48 
LCS_GDT     K   134_A     K   134_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   44   46 
LCS_GDT     L   135_A     L   135_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   46   50 
LCS_GDT     L   136_A     L   136_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   47   50 
LCS_GDT     E   137_A     E   137_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   44   49 
LCS_GDT     L   138_A     L   138_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   44   46 
LCS_GDT     Y   139_A     Y   139_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   44   49   53 
LCS_GDT     N   140_A     N   140_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   49   53 
LCS_GDT     S   141_A     S   141_A     13   16   37      8   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   46   49 
LCS_GDT     Q   142_A     Q   142_A     13   16   37      3   12   13   15   16   20   24   26   28   29   31   33   34   35   38   38   40   42   44   46 
LCS_GDT     N   143_A     N   143_A     13   16   37      3    5   10   14   16   20   24   26   28   29   31   33   34   35   43   46   47   50   52   56 
LCS_GDT     H   147_A     H   147_A      3    4   37      2    3    4    4    8   11   16   18   23   28   30   34   36   39   43   46   48   50   55   57 
LCS_GDT     L   148_A     L   148_A      3    5   37      3    3    4    4   10   12   16   18   21   25   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     S   149_A     S   149_A     12   13   37      4    8    9   12   12   15   16   18   21   25   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     I   150_A     I   150_A     12   13   37      4   11   11   12   13   15   15   16   18   22   26   28   32   35   43   46   48   50   55   57 
LCS_GDT     E   151_A     E   151_A     12   13   37      5   11   11   12   13   15   15   16   20   23   27   30   33   35   36   38   43   49   55   57 
LCS_GDT     K   152_A     K   152_A     12   13   37      5   11   11   12   13   15   19   21   23   28   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     L   153_A     L   153_A     12   13   37      5   11   11   12   13   15   19   22   25   29   31   34   36   39   43   46   48   50   55   57 
LCS_GDT     I   154_A     I   154_A     12   13   37      5   11   11   12   13   15   17   22   25   29   31   33   34   39   42   46   48   50   55   57 
LCS_GDT     A   155_A     A   155_A     12   13   37      5   11   11   12   13   15   17   22   25   29   31   33   34   35   38   44   48   50   55   57 
LCS_GDT     G   156_A     G   156_A     12   13   37      4   11   11   12   13   15   18   23   25   29   31   34   36   39   43   46   48   50   55   57 
LCS_GDT     L   157_A     L   157_A     12   13   37      4   11   11   12   16   20   24   26   28   29   31   34   36   39   43   46   48   50   55   57 
LCS_GDT     A   158_A     A   158_A     12   13   37      4   11   11   12   13   18   24   26   28   29   31   33   34   35   38   45   48   50   55   57 
LCS_GDT     V   159_A     V   159_A     12   13   37      4   11   11   12   16   19   24   26   28   29   31   33   34   35   38   43   45   49   52   55 
LCS_GDT     R   160_A     R   160_A     12   13   37      6   11   11   12   14   15   15   16   26   29   30   34   36   39   43   46   48   50   55   57 
LCS_GDT     R   161_A     R   161_A     10   13   32      6    6    7   12   16   18   20   22   24   27   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     K   162_A     K   162_A      7    9   32      6    6    7   15   16   18   20   22   24   27   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     V   163_A     V   163_A      7    9   32      6    6    7    8    9   10   12   14   19   22   26   34   36   39   43   46   48   50   55   57 
LCS_GDT     C   164_A     C   164_A      7    9   32      6    6    7    8    9   10   12   16   21   23   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     K   165_A     K   165_A      7    9   32      6    6    7    8    9   11   15   18   21   25   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     L   166_A     L   166_A      7    9   32      3    4    7    8    9    9   10   13   20   20   21   23   34   39   43   46   48   50   55   57 
LCS_GDT     V   167_A     V   167_A      4    9   32      3    4    4    8   17   19   19   19   20   20   24   30   32   33   34   38   45   48   55   57 
LCS_GDT     Q   168_A     Q   168_A      5    9   32      3    4    5    7    9   10   17   20   22   25   26   30   32   33   35   40   45   48   55   57 
LCS_GDT     D   169_A     D   169_A      5    7   32      3    4    5    7   11   16   18   20   23   25   26   30   32   33   35   38   41   44   49   53 
LCS_GDT     G   170_A     G   170_A      5    7   32      3    4    5    7    8   10   14   20   23   25   26   28   32   33   35   37   40   44   47   50 
LCS_GDT     H   171_A     H   171_A      5   17   32      3    4    8   14   15   16   19   20   23   25   26   30   32   33   35   38   41   43   49   53 
LCS_GDT     I   172_A     I   172_A      5   17   32      3    4    5   11   12   16   19   19   23   25   26   30   32   33   34   38   39   44   49   53 
LCS_GDT     D   173_A     D   173_A     15   17   32      7   14   14   14   15   16   19   20   23   25   26   30   32   33   35   38   41   44   49   53 
LCS_GDT     E   174_A     E   174_A     15   17   32      7   14   14   14   15   16   19   20   23   25   26   30   32   33   41   46   47   49   53   57 
LCS_GDT     T   175_A     T   175_A     15   17   32      7   14   14   14   15   16   19   20   23   25   26   30   32   34   43   46   47   50   54   57 
LCS_GDT     V   176_A     V   176_A     15   17   32      7   14   14   14   15   16   19   20   23   25   28   32   36   39   43   46   48   50   54   57 
LCS_GDT     Y   177_A     Y   177_A     15   17   32      9   14   14   14   15   16   19   20   23   25   28   34   36   39   43   46   48   50   55   57 
LCS_GDT     R   178_A     R   178_A     15   17   32      9   14   14   14   15   16   19   20   23   25   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     A   179_A     A   179_A     15   17   32      9   14   14   14   15   16   19   20   23   27   29   34   36   39   43   46   48   50   55   57 
LCS_GDT     L   180_A     L   180_A     15   17   32      9   14   14   14   16   18   21   24   25   29   30   34   36   39   43   46   48   50   55   57 
LCS_GDT     D   181_A     D   181_A     15   17   32      9   14   14   14   15   16   19   20   23   27   28   34   36   39   42   46   48   50   55   57 
LCS_GDT     E   182_A     E   182_A     15   17   32      9   14   14   15   16   19   21   24   26   29   30   31   33   39   42   45   48   50   55   57 
LCS_GDT     M   183_A     M   183_A     15   17   32      9   14   14   14   15   20   24   26   28   29   31   33   34   39   42   45   48   50   55   57 
LCS_GDT     A   184_A     A   184_A     15   17   32      9   14   14   14   15   16   19   20   23   28   31   33   34   35   39   44   48   49   55   57 
LCS_GDT     A   185_A     A   185_A     15   17   32      9   14   14   14   15   18   24   26   28   29   31   32   34   35   36   39   45   49   55   56 
LCS_GDT     G   186_A     G   186_A     15   17   32      3   14   14   14   15   16   21   24   27   29   31   33   34   35   38   39   45   49   55   56 
LCS_GDT     A   187_A     A   187_A     15   17   32      1    3    4   14   15   16   19   22   25   29   30   33   34   35   38   38   40   48   49   54 
LCS_AVERAGE  LCS_A:  15.62  (   8.34   12.74   25.79 )

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      9     16     21     24     25     26     27     27     28     29     32     35     37     39     43     46     48     50     55     57 
GDT PERCENT_AT   7.14  12.70  16.67  19.05  19.84  20.63  21.43  21.43  22.22  23.02  25.40  27.78  29.37  30.95  34.13  36.51  38.10  39.68  43.65  45.24
GDT RMS_LOCAL    0.22   0.67   0.91   1.08   1.27   1.49   1.78   1.78   2.00   2.36   3.36   3.64   4.08   4.35   5.37   5.57   5.66   5.88   6.91   6.66
GDT RMS_ALL_AT  21.40  27.08  27.06  26.87  26.79  27.09  27.18  27.18  27.24  27.32  26.69  26.74  27.30  27.26  14.79  14.74  14.84  14.78  14.51  14.59

# 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:  E   109_A      E   109_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  D   169_A      D   169_A
#   possible swapping detected:  D   173_A      D   173_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    24.528     6    0.082   0.102    25.716    0.000    0.000
LGA    R    60_A      R    60_A    18.196     6    0.180   0.171    20.769    0.000    0.000
LGA    V    61_A      V    61_A    18.472     0    0.573   0.641    20.222    0.000    0.000
LGA    K    62_A      K    62_A    19.570     0    0.614   0.964    22.004    0.000    0.000
LGA    L    63_A      L    63_A    17.630     0    0.614   0.535    18.892    0.000    0.000
LGA    R    64_A      R    64_A    16.956     6    0.551   0.553    18.931    0.000    0.000
LGA    K    65_A      K    65_A    22.130     0    0.037   0.801    27.849    0.000    0.000
LGA    H    66_A      H    66_A    20.459     0    0.247   0.211    27.385    0.000    0.000
LGA    L    67_A      L    67_A    15.165     0    0.594   0.540    16.907    0.000    0.000
LGA    V    68_A      V    68_A    14.594     0    0.535   1.292    14.798    0.000    0.000
LGA    E    69_A      E    69_A    15.256     0    0.643   0.777    19.762    0.000    0.000
LGA    I    70_A      I    70_A    14.337     0    0.606   1.832    17.454    0.000    0.000
LGA    N    71_A      N    71_A    10.640     0    0.089   0.190    13.234    0.476    0.238
LGA    A    72_A      A    72_A     7.361     0    0.548   0.523     8.480   22.738   19.619
LGA    D    73_A      D    73_A     4.913     0    0.381   1.172     8.684   33.929   25.595
LGA    E    74_A      E    74_A     1.278     0    0.608   1.142     4.605   83.690   61.534
LGA    I    75_A      I    75_A     1.192     0    0.175   0.710     5.753   85.952   71.012
LGA    T    76_A      T    76_A     1.305     0    0.119   0.178     2.605   79.286   71.973
LGA    I    77_A      I    77_A     1.504     0    0.178   1.137     4.119   81.548   68.869
LGA    T    78_A      T    78_A     0.896     0    0.216   0.261     3.144   73.690   73.401
LGA    L    79_A      L    79_A     1.929     0    0.102   1.004     8.967   73.214   43.155
LGA    S    80_A      S    80_A     1.021     0    0.224   0.570     4.373   73.571   63.571
LGA    R    81_A      R    81_A     3.861     0    0.732   1.267    14.021   57.500   22.554
LGA    Y    82_A      Y    82_A     3.426     0    0.726   0.517     9.138   57.500   27.976
LGA    T    83_A      T    83_A     5.357     0    0.392   0.431     8.967   36.429   24.558
LGA    S    84_A      S    84_A     1.898     0    0.541   0.722     6.529   73.214   56.270
LGA    P    85_A      P    85_A     1.060     0    0.030   0.367     1.354   85.952   85.306
LGA    E    86_A      E    86_A     0.753     0    0.134   1.328     4.325   90.476   74.286
LGA    A    87_A      A    87_A     1.012     0    0.092   0.090     1.049   88.214   86.857
LGA    L    88_A      L    88_A     0.853     0    0.042   0.102     1.534   88.214   84.881
LGA    E    89_A      E    89_A     1.024     0    0.087   0.938     3.492   83.690   76.243
LGA    R    90_A      R    90_A     1.314     0    0.058   0.941     2.226   79.286   76.797
LGA    S    91_A      S    91_A     1.435     0    0.094   0.092     1.483   81.429   81.429
LGA    I    92_A      I    92_A     1.352     0    0.103   0.685     4.418   85.952   73.929
LGA    T    93_A      T    93_A     0.564     0    0.076   0.087     1.542   95.238   89.388
LGA    A    94_A      A    94_A     0.754     0    0.076   0.087     1.233   90.476   88.667
LGA    L    95_A      L    95_A     0.465     0    0.073   1.444     3.637   95.238   79.881
LGA    A    96_A      A    96_A     0.794     0    0.055   0.051     1.098   90.595   90.571
LGA    A    97_A      A    97_A     1.016     0    0.092   0.101     1.605   81.548   83.333
LGA    M    98_A      M    98_A     0.956     0    0.049   1.015     4.390   85.952   70.714
LGA    T    99_A      T    99_A     1.170     0    0.107   0.094     2.166   83.690   77.891
LGA    G   100_A      G   100_A     1.796     0    0.205   0.205     5.513   54.048   54.048
LGA    H   101_A      H   101_A     8.608     5    0.269   0.363     9.897    6.310    2.571
LGA    A   102_A      A   102_A    13.971     0    0.047   0.084    16.429    0.000    0.000
LGA    P   103_A      P   103_A    15.634     0    0.048   0.068    17.503    0.000    0.000
LGA    S   104_A      S   104_A    20.200     0    0.052   0.054    22.469    0.000    0.000
LGA    S   105_A      S   105_A    16.777     0    0.129   0.696    17.759    0.000    0.000
LGA    I   106_A      I   106_A    11.226     0    0.085   0.795    13.366    0.000    1.429
LGA    K   107_A      K   107_A    14.796     0    0.338   1.568    24.582    0.000    0.000
LGA    E   108_A      E   108_A    16.042     3    0.102   0.112    18.538    0.000    0.000
LGA    E   109_A      E   109_A    11.064     0    0.043   1.147    12.567    1.071    0.476
LGA    C   110_A      C   110_A     8.589     0    0.091   0.715     9.371    2.976    3.889
LGA    V   111_A      V   111_A    11.529     0    0.000   0.050    15.164    0.000    0.000
LGA    E   112_A      E   112_A    10.272     0    0.044   0.832    14.809    1.905    0.847
LGA    L   113_A      L   113_A     7.574     0    0.055   1.027     9.530    7.976    7.202
LGA    I   114_A      I   114_A     8.111     0    0.091   0.173    11.429    6.667    3.571
LGA    D   115_A      D   115_A     7.828     0    0.137   0.922    11.409    7.857    4.286
LGA    K   116_A      K   116_A     8.244     2    0.225   0.746     9.842    4.048    2.328
LGA    L   117_A      L   117_A     9.987     0    0.656   1.051    11.963    0.476    0.238
LGA    D   118_A      D   118_A    11.856     0    0.598   0.658    13.737    0.000    0.000
LGA    W   119_A      W   119_A    10.274     0    0.597   0.883    12.951    0.000    0.000
LGA    L   120_A      L   120_A    13.807     0    0.629   1.152    15.325    0.000    0.000
LGA    R   121_A      R   121_A    19.234     0    0.436   0.861    21.705    0.000    0.000
LGA    V   122_A      V   122_A    22.969     0    0.539   0.573    25.149    0.000    0.000
LGA    E   123_A      E   123_A    25.744     4    0.237   0.317    26.553    0.000    0.000
LGA    N   124_A      N   124_A    26.190     0    0.125   0.135    28.042    0.000    0.000
LGA    D   125_A      D   125_A    26.683     0    0.128   0.735    28.419    0.000    0.000
LGA    V   126_A      V   126_A    23.865     0    0.441   0.524    25.219    0.000    0.000
LGA    I   127_A      I   127_A    25.521     0    0.559   0.963    28.448    0.000    0.000
LGA    Q   128_A      Q   128_A    26.257     0    0.099   1.277    27.843    0.000    0.000
LGA    Y   129_A      Y   129_A    27.349     0    0.524   0.633    31.121    0.000    0.000
LGA    P   130_A      P   130_A    33.682     0    0.455   0.710    35.328    0.000    0.000
LGA    T   131_A      T   131_A    34.020     0    0.291   0.346    34.532    0.000    0.000
LGA    L   132_A      L   132_A    34.284     0    0.110   1.453    36.681    0.000    0.000
LGA    S   133_A      S   133_A    35.713     0    0.077   0.097    37.811    0.000    0.000
LGA    K   134_A      K   134_A    37.299     4    0.098   0.094    38.975    0.000    0.000
LGA    L   135_A      L   135_A    37.308     0    0.000   1.340    38.974    0.000    0.000
LGA    L   136_A      L   136_A    38.863     0    0.005   0.452    40.992    0.000    0.000
LGA    E   137_A      E   137_A    40.893     4    0.094   0.083    42.624    0.000    0.000
LGA    L   138_A      L   138_A    41.480     3    0.053   0.055    43.611    0.000    0.000
LGA    Y   139_A      Y   139_A    42.581     0    0.021   0.059    45.862    0.000    0.000
LGA    N   140_A      N   140_A    44.228     0    0.069   0.108    46.313    0.000    0.000
LGA    S   141_A      S   141_A    46.001     0    0.299   0.302    48.881    0.000    0.000
LGA    Q   142_A      Q   142_A    46.089     4    0.079   0.073    46.089    0.000    0.000
LGA    N   143_A      N   143_A    46.078     3    0.217   0.259    46.574    0.000    0.000
LGA    H   147_A      H   147_A    37.559     0    0.386   1.214    39.355    0.000    0.000
LGA    L   148_A      L   148_A    32.011     0    0.622   0.641    34.072    0.000    0.000
LGA    S   149_A      S   149_A    27.185     0    0.139   0.559    28.863    0.000    0.000
LGA    I   150_A      I   150_A    27.000     0    0.071   1.002    28.142    0.000    0.000
LGA    E   151_A      E   151_A    24.707     0    0.029   0.806    28.400    0.000    0.000
LGA    K   152_A      K   152_A    23.331     0    0.037   0.737    24.050    0.000    0.000
LGA    L   153_A      L   153_A    25.912     0    0.000   1.113    28.843    0.000    0.000
LGA    I   154_A      I   154_A    25.366     0    0.064   0.261    26.670    0.000    0.000
LGA    A   155_A      A   155_A    22.670     0    0.000   0.022    23.453    0.000    0.000
LGA    G   156_A      G   156_A    24.673     0    0.079   0.079    26.574    0.000    0.000
LGA    L   157_A      L   157_A    28.191     0    0.103   0.140    31.891    0.000    0.000
LGA    A   158_A      A   158_A    25.311     0    0.159   0.163    26.007    0.000    0.000
LGA    V   159_A      V   159_A    25.775     0    0.315   1.254    29.177    0.000    0.000
LGA    R   160_A      R   160_A    30.323     0    0.543   1.028    32.622    0.000    0.000
LGA    R   161_A      R   161_A    33.046     0    0.065   1.861    37.172    0.000    0.000
LGA    K   162_A      K   162_A    34.411     0    0.056   0.539    36.814    0.000    0.000
LGA    V   163_A      V   163_A    32.364     0    0.057   0.165    32.812    0.000    0.000
LGA    C   164_A      C   164_A    32.424     0    0.108   0.105    33.261    0.000    0.000
LGA    K   165_A      K   165_A    35.005     0    0.580   1.394    39.865    0.000    0.000
LGA    L   166_A      L   166_A    37.984     0    0.013   0.166    39.683    0.000    0.000
LGA    V   167_A      V   167_A    38.163     0    0.485   1.394    38.163    0.000    0.000
LGA    Q   168_A      Q   168_A    36.618     0    0.599   1.452    37.700    0.000    0.000
LGA    D   169_A      D   169_A    39.760     0    0.297   1.203    42.464    0.000    0.000
LGA    G   170_A      G   170_A    44.309     0    0.222   0.222    47.935    0.000    0.000
LGA    H   171_A      H   171_A    46.335     0    0.435   1.426    48.139    0.000    0.000
LGA    I   172_A      I   172_A    47.280     0    0.597   0.815    50.772    0.000    0.000
LGA    D   173_A      D   173_A    49.194     0    0.488   1.323    50.155    0.000    0.000
LGA    E   174_A      E   174_A    53.536     4    0.104   0.099    56.400    0.000    0.000
LGA    T   175_A      T   175_A    50.000     0    0.051   0.178    52.570    0.000    0.000
LGA    V   176_A      V   176_A    43.736     0    0.051   0.120    45.909    0.000    0.000
LGA    Y   177_A      Y   177_A    47.187     7    0.067   0.082    49.535    0.000    0.000
LGA    R   178_A      R   178_A    49.641     0    0.089   1.017    54.000    0.000    0.000
LGA    A   179_A      A   179_A    43.581     0    0.083   0.086    45.658    0.000    0.000
LGA    L   180_A      L   180_A    40.457     0    0.039   1.435    41.804    0.000    0.000
LGA    D   181_A      D   181_A    45.514     0    0.020   1.190    49.933    0.000    0.000
LGA    E   182_A      E   182_A    44.115     0    0.000   1.038    48.576    0.000    0.000
LGA    M   183_A      M   183_A    37.309     0    0.048   1.316    39.764    0.000    0.000
LGA    A   184_A      A   184_A    39.113     0    0.047   0.059    40.626    0.000    0.000
LGA    A   185_A      A   185_A    43.472     0    0.243   0.273    45.667    0.000    0.000
LGA    G   186_A      G   186_A    38.260     0    0.568   0.568    39.919    0.000    0.000
LGA    A   187_A      A   187_A    32.362     0    0.223   0.312    34.198    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):    13.561         13.420                 13.757           17.714   15.328

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     27    1.78    22.421    19.894     1.438

LGA_LOCAL      RMSD:   1.778  Number of atoms:   27  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.180  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.561  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.610972 * X  +   0.167921 * Y  +   0.773638 * Z  + -446.244751
  Y_new =  -0.349530 * X  +  -0.819615 * Y  +   0.453939 * Z  + 129.569183
  Z_new =   0.710311 * X  +  -0.547754 * Y  +  -0.442068 * Z  + 161.774307 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.519643 -0.789940 -2.249825   [DEG:  -29.7734  -45.2602 -128.9055 ]
ZXZ:  2.101423  2.028700  2.227695   [DEG:  120.4027  116.2359  127.6375 ]
 
# END of job
