
#######################################################
#                                                     #
#                        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:    35     153_A - 187_A       4.90    30.59
  LCS_AVERAGE:     23.75

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     127_A - 147_A       1.94    25.69
  LONGEST_CONTINUOUS_SEGMENT:    18     170_A - 187_A       1.91    27.82
  LCS_AVERAGE:     10.60

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15     128_A - 142_A       0.78    26.56
  LONGEST_CONTINUOUS_SEGMENT:    15     172_A - 186_A       0.80    26.02
  LONGEST_CONTINUOUS_SEGMENT:    15     173_A - 187_A       0.89    26.23
  LCS_AVERAGE:      7.70

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    5   12   14   18   20   23   26   30   33   37   42   47   50   55   56   58 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    3    4    5    8   14   17   19   22   25   28   33   38   42   47   50   55   56   58 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    3    4    4    6   10   17   21   23   26   30   33   38   42   47   50   55   56   58 
LCS_GDT     K    62_A     K    62_A      3    4   10      3    3    4    4   10   16   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     L    63_A     L    63_A      3    4   10      3    4    4    7    8   12   16   19   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     R    64_A     R    64_A      4    5   10      3    4    6    8   11   12   15   17   21   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     K    65_A     K    65_A      4    5   10      3    4    6    8   11   12   15   17   21   24   27   30   33   38   42   47   50   55   56   59 
LCS_GDT     H    66_A     H    66_A      4    5   10      3    4    5    7   11   12   13   15   20   24   25   29   33   38   41   47   50   55   56   59 
LCS_GDT     L    67_A     L    67_A      4    5   28      3    4    6    7   11   12   15   17   21   24   27   29   33   38   42   47   50   55   56   59 
LCS_GDT     V    68_A     V    68_A      3    5   29      1    6    8   10   11   12   17   19   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     E    69_A     E    69_A      3    8   29      3   10   13   13   13   17   17   19   24   26   29   32   37   42   45   47   50   55   56   59 
LCS_GDT     I    70_A     I    70_A      5   10   29      4   10   13   13   13   14   17   18   20   24   28   32   37   42   45   47   50   55   56   59 
LCS_GDT     N    71_A     N    71_A      5   10   29      4   10   13   13   13   16   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     A    72_A     A    72_A      5   10   29      4    4    5    8    9   14   16   17   21   23   28   32   37   42   45   46   50   55   56   59 
LCS_GDT     D    73_A     D    73_A      5   10   30      4    9   13   13   13   14   16   18   21   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     E    74_A     E    74_A      5   10   30      3    4    8    8    9   14   14   18   20   23   27   30   34   38   42   47   50   55   56   59 
LCS_GDT     I    75_A     I    75_A      5   10   30      3    4    5    8    9   12   14   17   19   24   27   30   34   38   42   47   50   55   56   59 
LCS_GDT     T    76_A     T    76_A      5   10   30      3    4    5   11   15   17   17   19   22   26   30   34   35   42   45   47   50   55   56   59 
LCS_GDT     I    77_A     I    77_A      4   10   30      3    3    5   11   15   17   17   19   22   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     T    78_A     T    78_A      4   10   30      3    4    4    8    9   12   17   19   22   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     L    79_A     L    79_A      4   10   30      3    4    6    8   10   12   17   18   22   25   30   34   36   42   45   47   50   55   56   59 
LCS_GDT     S    80_A     S    80_A      5    7   30      4    4    6    8   10   12   17   18   21   24   27   30   34   38   42   47   50   55   56   59 
LCS_GDT     R    81_A     R    81_A      5    7   30      4    4    6    8    9   12   15   18   22   25   27   30   34   38   42   47   50   55   56   58 
LCS_GDT     Y    82_A     Y    82_A      5    7   30      4    4    6    8    9   10   11   12   16   22   25   28   34   38   42   47   50   55   56   58 
LCS_GDT     T    83_A     T    83_A      5    7   30      4    4    6    8   10   12   14   18   20   22   26   30   34   38   42   47   50   55   56   59 
LCS_GDT     S    84_A     S    84_A      5    7   30      3    3    6    8    9   10   15   18   22   25   27   30   34   38   42   47   50   55   56   58 
LCS_GDT     P    85_A     P    85_A      8   16   30      4    6    8    9   12   16   17   19   22   25   27   30   34   38   42   47   50   52   56   58 
LCS_GDT     E    86_A     E    86_A      8   16   30      4    6    8    9   14   17   17   19   22   25   27   30   34   38   42   47   50   55   56   58 
LCS_GDT     A    87_A     A    87_A      8   16   30      4    5    8   12   15   17   17   19   22   25   27   30   34   38   42   47   50   55   56   58 
LCS_GDT     L    88_A     L    88_A      8   16   30      5    5   10   13   15   17   17   19   22   25   27   30   34   38   42   47   50   55   56   58 
LCS_GDT     E    89_A     E    89_A      8   16   30      5    7   10   13   15   17   17   19   22   25   27   30   34   38   42   47   50   55   56   58 
LCS_GDT     R    90_A     R    90_A      8   16   30      5    6    8   13   15   17   17   19   22   25   27   30   34   38   42   47   50   55   56   59 
LCS_GDT     S    91_A     S    91_A     10   16   30      5    6    9   13   13   16   17   18   22   25   27   30   34   38   42   47   50   55   56   59 
LCS_GDT     I    92_A     I    92_A     10   16   30      5    8   10   13   15   17   17   19   22   25   27   30   34   38   42   47   50   55   56   59 
LCS_GDT     T    93_A     T    93_A     10   16   31      5    8   10   13   15   17   17   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     A    94_A     A    94_A     10   16   31      5    8   10   13   15   17   17   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     L    95_A     L    95_A     10   16   31      5    8   14   14   16   17   18   21   24   26   29   34   37   42   45   47   50   55   56   59 
LCS_GDT     A    96_A     A    96_A     10   16   31      5    8   10   13   16   17   18   19   22   25   29   31   37   42   45   47   50   55   56   59 
LCS_GDT     A    97_A     A    97_A     10   16   31      5    8   10   13   15   17   17   19   22   25   29   31   37   42   45   47   50   55   56   59 
LCS_GDT     M    98_A     M    98_A     10   16   31      5    8   10   13   15   17   17   19   22   25   27   30   34   38   45   47   50   55   56   59 
LCS_GDT     T    99_A     T    99_A     10   16   31      5    8   10   13   15   17   17   19   21   25   27   30   32   35   40   45   47   51   54   58 
LCS_GDT     G   100_A     G   100_A     10   16   31      4    8   10   13   15   17   17   19   22   25   27   30   33   36   41   45   49   51   56   58 
LCS_GDT     H   101_A     H   101_A      6   10   31      3    5    6    8   11   16   18   19   22   25   29   31   34   42   45   47   50   55   56   59 
LCS_GDT     A   102_A     A   102_A      6   14   31      3    5    6    8   14   17   18   19   22   25   29   31   37   42   45   47   50   55   56   59 
LCS_GDT     P   103_A     P   103_A      6   15   31      3    5    6    8   11   16   18   19   21   23   26   30   32   37   45   46   49   55   56   59 
LCS_GDT     S   104_A     S   104_A      6   15   31      3    5    6    8   12   16   18   19   21   23   26   30   37   42   45   46   47   51   56   59 
LCS_GDT     S   105_A     S   105_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     I   106_A     I   106_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     K   107_A     K   107_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     E   108_A     E   108_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     E   109_A     E   109_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     C   110_A     C   110_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     V   111_A     V   111_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     E   112_A     E   112_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     L   113_A     L   113_A     13   15   31      9   11   14   14   16   17   18   21   24   26   30   34   37   42   45   47   50   55   56   59 
LCS_GDT     I   114_A     I   114_A     13   15   31      8   11   14   14   16   17   18   21   24   26   30   34   37   42   45   46   50   55   56   59 
LCS_GDT     D   115_A     D   115_A     13   15   31      6   11   14   14   16   17   18   21   24   26   30   34   37   42   45   46   50   55   56   59 
LCS_GDT     K   116_A     K   116_A     13   15   31      5   11   14   14   16   17   18   21   24   26   30   34   37   42   45   46   50   55   56   59 
LCS_GDT     L   117_A     L   117_A     13   15   31      5   11   14   14   16   17   18   21   24   26   30   34   37   42   45   46   50   55   56   59 
LCS_GDT     D   118_A     D   118_A      6   15   31      0    3    5    9   16   16   18   21   24   26   30   34   37   42   45   46   47   52   56   59 
LCS_GDT     W   119_A     W   119_A      3    6   31      3    4    5   10   12   18   19   20   23   23   28   32   37   42   45   46   47   51   56   59 
LCS_GDT     L   120_A     L   120_A      3    6   31      3    4   11   17   17   18   19   20   23   24   29   34   37   42   45   46   47   52   56   59 
LCS_GDT     R   121_A     R   121_A      4    6   31      3    4    4    6    7   15   18   21   24   26   30   34   37   42   45   46   47   52   56   59 
LCS_GDT     V   122_A     V   122_A      4    6   31      3    4    5    6    8   12   17   20   24   26   30   34   37   42   45   46   47   52   56   59 
LCS_GDT     E   123_A     E   123_A      5    6   31      3    3    5    5    6    7   12   14   18   22   26   34   35   42   45   46   47   52   56   59 
LCS_GDT     N   124_A     N   124_A      5    6   31      3    4    5    5    6    7   10   13   17   22   26   30   33   38   42   45   48   52   56   59 
LCS_GDT     D   125_A     D   125_A      5    6   28      3    4    5    5    9   15   18   20   22   23   26   29   32   34   39   42   47   52   56   59 
LCS_GDT     V   126_A     V   126_A      5    5   28      3    4    5    5    8   13   18   20   22   22   26   29   32   33   39   42   47   52   56   59 
LCS_GDT     I   127_A     I   127_A      5   18   28      3    4    5    5    5   11   14   18   20   21   26   29   32   32   37   41   47   52   55   58 
LCS_GDT     Q   128_A     Q   128_A     15   18   28      6   13   15   17   17   18   19   20   23   24   26   29   32   32   34   36   38   48   51   54 
LCS_GDT     Y   129_A     Y   129_A     15   18   28      7   13   15   17   17   18   19   20   23   24   26   29   32   33   39   42   47   52   56   59 
LCS_GDT     P   130_A     P   130_A     15   18   28      7   13   15   17   17   18   19   20   23   24   26   29   32   32   37   41   47   50   54   57 
LCS_GDT     T   131_A     T   131_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   32   34   36   38   41   45   49 
LCS_GDT     L   132_A     L   132_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   32   34   41   47   50   55   59 
LCS_GDT     S   133_A     S   133_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   34   39   43   47   51   56   59 
LCS_GDT     K   134_A     K   134_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   32   34   36   37   42   46   50 
LCS_GDT     L   135_A     L   135_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   32   34   36   38   41   45   47 
LCS_GDT     L   136_A     L   136_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   32   34   36   38   48   52   56 
LCS_GDT     E   137_A     E   137_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   32   34   36   37   43   52   56 
LCS_GDT     L   138_A     L   138_A     15   18   28      9   13   15   17   17   18   19   20   23   24   26   29   32   32   34   36   37   39   40   42 
LCS_GDT     Y   139_A     Y   139_A     15   18   28      9   13   15   17   17   18   19   20   23   24   27   29   32   32   34   36   37   41   45   47 
LCS_GDT     N   140_A     N   140_A     15   18   28      6   13   15   17   17   18   19   20   23   24   27   29   32   32   34   36   37   40   49   53 
LCS_GDT     S   141_A     S   141_A     15   18   28      4   12   15   17   17   18   19   20   23   24   27   29   32   32   34   36   37   39   40   43 
LCS_GDT     Q   142_A     Q   142_A     15   18   28      3   12   15   17   17   18   19   20   23   24   27   29   32   32   34   35   37   39   40   43 
LCS_GDT     N   143_A     N   143_A     14   18   28      3    4    9   15   17   18   19   20   23   24   27   29   32   32   34   36   38   44   46   48 
LCS_GDT     H   147_A     H   147_A      4   18   28      3    4    7   11   16   18   19   19   20   23   27   28   29   31   34   36   39   44   47   53 
LCS_GDT     L   148_A     L   148_A      4   14   28      3    4    5    5    6   15   17   19   20   23   27   28   29   31   34   36   39   44   47   53 
LCS_GDT     S   149_A     S   149_A     13   14   28      5   12   12   13   14   15   17   19   20   23   27   28   29   31   35   37   39   44   47   53 
LCS_GDT     I   150_A     I   150_A     13   14   28      6   12   12   13   14   15   17   19   20   23   27   28   29   31   35   37   39   44   47   48 
LCS_GDT     E   151_A     E   151_A     13   14   28      6   12   12   15   16   17   19   20   20   23   27   29   31   33   35   37   38   39   42   44 
LCS_GDT     K   152_A     K   152_A     13   14   28      6   12   12   13   14   18   19   19   20   23   27   29   31   33   35   37   38   40   46   53 
LCS_GDT     L   153_A     L   153_A     13   14   35      6   12   12   13   14   15   19   20   20   23   27   29   31   33   35   37   39   44   47   53 
LCS_GDT     I   154_A     I   154_A     13   14   35      6   12   12   13   14   15   18   20   20   23   27   29   31   33   35   37   39   44   47   48 
LCS_GDT     A   155_A     A   155_A     13   14   35      6   12   12   13   18   19   20   20   24   25   28   29   31   33   35   36   37   40   42   45 
LCS_GDT     G   156_A     G   156_A     13   14   35      6   12   15   17   17   18   19   20   23   25   28   29   31   33   35   36   37   44   46   53 
LCS_GDT     L   157_A     L   157_A     13   14   35      6   12   12   13   18   19   20   24   25   26   28   29   31   33   35   37   39   44   47   53 
LCS_GDT     A   158_A     A   158_A     13   14   35      6   12   12   13   14   15   17   24   25   26   28   29   30   32   34   36   38   44   46   48 
LCS_GDT     V   159_A     V   159_A     13   14   35      4   12   12   13   14   15   20   23   25   26   28   29   30   32   34   36   37   40   42   46 
LCS_GDT     R   160_A     R   160_A     13   14   35      5   12   13   13   14   16   20   24   25   26   28   29   30   32   34   36   39   44   47   53 
LCS_GDT     R   161_A     R   161_A     13   14   35      7   10   13   13   14   15   17   19   20   23   27   28   30   32   34   36   39   44   47   53 
LCS_GDT     K   162_A     K   162_A      9   14   35      7   10   13   13   13   14   15   17   20   23   27   29   32   32   34   36   39   44   47   53 
LCS_GDT     V   163_A     V   163_A      9   10   35      7   10   13   13   13   14   15   18   25   26   28   29   32   32   34   36   39   44   52   55 
LCS_GDT     C   164_A     C   164_A      9   10   35      7   10   13   13   13   16   20   24   25   26   28   29   33   37   40   43   47   51   53   57 
LCS_GDT     K   165_A     K   165_A      9   10   35      7   10   13   13   13   14   15   18   25   26   28   29   31   37   40   42   45   51   53   57 
LCS_GDT     L   166_A     L   166_A      9   10   35      7   10   13   13   13   14   15   17   19   21   24   26   30   32   37   42   45   51   53   56 
LCS_GDT     V   167_A     V   167_A      9   10   35      7   10   13   13   13   14   14   17   19   25   28   29   33   37   40   43   47   51   53   57 
LCS_GDT     Q   168_A     Q   168_A      9   10   35      3    9   13   13   13   14   18   24   25   26   30   34   37   42   45   46   47   51   55   59 
LCS_GDT     D   169_A     D   169_A      3   10   35      3    5    6    8   10   16   20   24   25   26   30   34   37   42   45   46   47   51   55   59 
LCS_GDT     G   170_A     G   170_A      3   18   35      3    4    7    7    9   14   20   24   25   26   30   34   37   42   45   46   47   51   56   59 
LCS_GDT     H   171_A     H   171_A      3   18   35      3    4   14   16   18   19   20   24   25   26   28   29   31   33   35   37   45   50   53   57 
LCS_GDT     I   172_A     I   172_A     15   18   35      3    6   14   16   18   19   20   24   25   26   28   29   31   33   35   38   45   51   53   57 
LCS_GDT     D   173_A     D   173_A     15   18   35      4   14   14   16   17   19   20   24   25   26   28   29   31   33   35   35   37   38   41   44 
LCS_GDT     E   174_A     E   174_A     15   18   35      4   14   14   16   18   19   20   24   25   26   28   29   31   33   35   37   38   39   42   49 
LCS_GDT     T   175_A     T   175_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   31   33   35   37   38   39   42   48 
LCS_GDT     V   176_A     V   176_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   32   33   35   37   38   42   46   53 
LCS_GDT     Y   177_A     Y   177_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   32   33   35   37   38   44   47   53 
LCS_GDT     R   178_A     R   178_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   32   33   35   37   39   44   47   53 
LCS_GDT     A   179_A     A   179_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   32   33   35   37   39   44   47   53 
LCS_GDT     L   180_A     L   180_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   32   33   35   37   39   44   47   53 
LCS_GDT     D   181_A     D   181_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   32   33   35   37   39   44   47   53 
LCS_GDT     E   182_A     E   182_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   31   33   35   37   39   44   47   53 
LCS_GDT     M   183_A     M   183_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   31   33   35   37   39   44   47   53 
LCS_GDT     A   184_A     A   184_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   31   33   35   37   39   44   47   53 
LCS_GDT     A   185_A     A   185_A     15   18   35     11   14   14   16   18   19   20   24   25   26   28   29   31   33   35   37   38   44   47   53 
LCS_GDT     G   186_A     G   186_A     15   18   35     10   14   14   16   18   19   20   24   25   26   28   29   31   33   35   37   38   41   46   53 
LCS_GDT     A   187_A     A   187_A     15   18   35      0    3    3   15   18   19   20   24   25   26   28   29   31   33   35   36   37   39   42   43 
LCS_AVERAGE  LCS_A:  14.02  (   7.70   10.60   23.75 )

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     11     14     15     17     18     19     20     24     25     26     30     34     37     42     45     47     50     55     56     59 
GDT PERCENT_AT   8.73  11.11  11.90  13.49  14.29  15.08  15.87  19.05  19.84  20.63  23.81  26.98  29.37  33.33  35.71  37.30  39.68  43.65  44.44  46.83
GDT RMS_LOCAL    0.25   0.45   0.78   1.02   1.54   1.59   1.97   2.98   3.05   3.30   4.19   4.47   4.55   4.93   5.13   5.90   5.99   6.34   6.43   6.71
GDT RMS_ALL_AT  25.52  25.63  26.56  26.70  28.19  28.33  28.50  31.31  31.69  32.48  16.29  16.25  16.28  16.23  16.22  22.63  21.16  21.50  21.80  17.08

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  D   181_A      D   181_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    46.211     6    0.180   0.196    48.293    0.000    0.000
LGA    R    60_A      R    60_A    43.146     6    0.191   0.178    44.366    0.000    0.000
LGA    V    61_A      V    61_A    40.050     0    0.553   0.594    41.143    0.000    0.000
LGA    K    62_A      K    62_A    39.818     0    0.629   0.990    40.988    0.000    0.000
LGA    L    63_A      L    63_A    37.130     0    0.615   1.416    39.960    0.000    0.000
LGA    R    64_A      R    64_A    30.377     6    0.589   0.583    32.790    0.000    0.000
LGA    K    65_A      K    65_A    30.513     0    0.038   0.962    32.758    0.000    0.000
LGA    H    66_A      H    66_A    34.008     0    0.174   1.002    35.795    0.000    0.000
LGA    L    67_A      L    67_A    34.581     0    0.624   1.147    34.636    0.000    0.000
LGA    V    68_A      V    68_A    35.226     0    0.627   0.922    36.518    0.000    0.000
LGA    E    69_A      E    69_A    39.184     0    0.564   1.208    41.402    0.000    0.000
LGA    I    70_A      I    70_A    45.376     0    0.404   1.005    49.448    0.000    0.000
LGA    N    71_A      N    71_A    48.516     0    0.097   0.855    51.781    0.000    0.000
LGA    A    72_A      A    72_A    53.111     0    0.509   0.621    55.880    0.000    0.000
LGA    D    73_A      D    73_A    54.907     0    0.216   1.472    60.326    0.000    0.000
LGA    E    74_A      E    74_A    53.549     0    0.133   0.793    60.866    0.000    0.000
LGA    I    75_A      I    75_A    48.979     0    0.612   0.766    51.513    0.000    0.000
LGA    T    76_A      T    76_A    44.345     0    0.400   1.043    46.319    0.000    0.000
LGA    I    77_A      I    77_A    44.778     0    0.151   0.589    49.939    0.000    0.000
LGA    T    78_A      T    78_A    38.260     0    0.266   1.102    40.682    0.000    0.000
LGA    L    79_A      L    79_A    36.538     0    0.288   0.497    37.700    0.000    0.000
LGA    S    80_A      S    80_A    34.700     0    0.550   0.928    37.670    0.000    0.000
LGA    R    81_A      R    81_A    38.791     0    0.138   1.260    43.208    0.000    0.000
LGA    Y    82_A      Y    82_A    39.642     0    0.128   1.228    40.891    0.000    0.000
LGA    T    83_A      T    83_A    39.588     0    0.611   0.599    42.652    0.000    0.000
LGA    S    84_A      S    84_A    43.995     0    0.443   0.502    46.407    0.000    0.000
LGA    P    85_A      P    85_A    51.194     0    0.606   0.693    52.965    0.000    0.000
LGA    E    86_A      E    86_A    53.485     0    0.094   1.975    56.574    0.000    0.000
LGA    A    87_A      A    87_A    52.916     0    0.089   0.096    53.197    0.000    0.000
LGA    L    88_A      L    88_A    51.825     0    0.158   0.235    52.193    0.000    0.000
LGA    E    89_A      E    89_A    53.258     0    0.133   0.934    56.318    0.000    0.000
LGA    R    90_A      R    90_A    53.762     0    0.026   1.004    56.534    0.000    0.000
LGA    S    91_A      S    91_A    50.793     0    0.289   0.272    51.881    0.000    0.000
LGA    I    92_A      I    92_A    50.258     0    0.127   0.839    51.616    0.000    0.000
LGA    T    93_A      T    93_A    51.588     0    0.049   0.074    54.102    0.000    0.000
LGA    A    94_A      A    94_A    49.812     0    0.056   0.052    50.560    0.000    0.000
LGA    L    95_A      L    95_A    46.674     0    0.050   0.999    47.851    0.000    0.000
LGA    A    96_A      A    96_A    47.703     0    0.083   0.090    48.714    0.000    0.000
LGA    A    97_A      A    97_A    49.093     0    0.143   0.148    50.234    0.000    0.000
LGA    M    98_A      M    98_A    46.730     0    0.128   1.146    48.466    0.000    0.000
LGA    T    99_A      T    99_A    44.653     0    0.072   1.119    45.569    0.000    0.000
LGA    G   100_A      G   100_A    46.509     0    0.199   0.199    47.003    0.000    0.000
LGA    H   101_A      H   101_A    47.190     5    0.421   0.501    47.190    0.000    0.000
LGA    A   102_A      A   102_A    47.444     0    0.122   0.166    49.184    0.000    0.000
LGA    P   103_A      P   103_A    43.770     0    0.046   0.085    45.757    0.000    0.000
LGA    S   104_A      S   104_A    46.661     0    0.096   0.103    49.948    0.000    0.000
LGA    S   105_A      S   105_A    47.118     0    0.672   0.667    49.444    0.000    0.000
LGA    I   106_A      I   106_A    44.400     0    0.094   0.129    48.399    0.000    0.000
LGA    K   107_A      K   107_A    41.207     0    0.060   1.339    43.085    0.000    0.000
LGA    E   108_A      E   108_A    39.963     3    0.074   0.108    41.098    0.000    0.000
LGA    E   109_A      E   109_A    39.384     0    0.053   0.829    45.815    0.000    0.000
LGA    C   110_A      C   110_A    35.984     0    0.050   0.056    38.056    0.000    0.000
LGA    V   111_A      V   111_A    33.143     0    0.057   0.174    34.632    0.000    0.000
LGA    E   112_A      E   112_A    32.758     0    0.084   0.544    37.272    0.000    0.000
LGA    L   113_A      L   113_A    31.795     0    0.083   0.117    36.348    0.000    0.000
LGA    I   114_A      I   114_A    27.349     0    0.069   0.075    29.332    0.000    0.000
LGA    D   115_A      D   115_A    25.478     0    0.049   0.700    26.640    0.000    0.000
LGA    K   116_A      K   116_A    24.916     2    0.200   0.201    29.874    0.000    0.000
LGA    L   117_A      L   117_A    22.520     0    0.640   1.504    24.521    0.000    0.000
LGA    D   118_A      D   118_A    15.930     0    0.617   1.343    18.033    0.000    0.000
LGA    W   119_A      W   119_A    15.673     0    0.596   1.354    26.324    0.000    0.000
LGA    L   120_A      L   120_A    15.265     0    0.674   0.618    18.316    0.000    0.000
LGA    R   121_A      R   121_A    10.458     0    0.130   0.193    20.235    3.690    1.342
LGA    V   122_A      V   122_A     6.974     0    0.604   0.602     8.312    8.810    9.592
LGA    E   123_A      E   123_A    11.490     4    0.240   0.253    14.731    0.119    0.053
LGA    N   124_A      N   124_A    16.854     0    0.092   1.247    20.019    0.000    0.000
LGA    D   125_A      D   125_A    17.455     0    0.636   1.311    19.753    0.000    0.000
LGA    V   126_A      V   126_A    22.778     0    0.555   0.550    26.871    0.000    0.000
LGA    I   127_A      I   127_A    24.503     0    0.624   0.626    26.021    0.000    0.000
LGA    Q   128_A      Q   128_A    25.706     0    0.587   0.992    27.692    0.000    0.000
LGA    Y   129_A      Y   129_A    25.375     0    0.050   0.176    27.060    0.000    0.000
LGA    P   130_A      P   130_A    27.453     0    0.074   0.594    30.037    0.000    0.000
LGA    T   131_A      T   131_A    24.890     0    0.038   0.109    26.345    0.000    0.000
LGA    L   132_A      L   132_A    21.264     0    0.071   0.187    22.572    0.000    0.000
LGA    S   133_A      S   133_A    22.963     0    0.064   0.658    24.608    0.000    0.000
LGA    K   134_A      K   134_A    24.753     4    0.085   0.081    26.249    0.000    0.000
LGA    L   135_A      L   135_A    21.114     0    0.043   0.198    22.416    0.000    0.000
LGA    L   136_A      L   136_A    18.696     0    0.050   1.276    19.610    0.000    0.000
LGA    E   137_A      E   137_A    21.825     4    0.146   0.153    23.407    0.000    0.000
LGA    L   138_A      L   138_A    22.193     3    0.050   0.052    22.725    0.000    0.000
LGA    Y   139_A      Y   139_A    17.619     0    0.077   1.056    19.218    0.000    0.000
LGA    N   140_A      N   140_A    17.250     0    0.044   0.240    18.717    0.000    0.000
LGA    S   141_A      S   141_A    21.912     0    0.608   0.529    24.114    0.000    0.000
LGA    Q   142_A      Q   142_A    20.335     4    0.355   0.359    20.735    0.000    0.000
LGA    N   143_A      N   143_A    17.530     3    0.273   0.301    18.255    0.000    0.000
LGA    H   147_A      H   147_A    16.573     0    0.648   1.176    19.193    0.000    0.000
LGA    L   148_A      L   148_A    17.502     0    0.134   1.364    20.676    0.000    0.000
LGA    S   149_A      S   149_A    20.211     0    0.557   0.756    20.591    0.000    0.000
LGA    I   150_A      I   150_A    16.956     0    0.227   0.596    19.641    0.000    0.000
LGA    E   151_A      E   151_A    13.832     0    0.048   1.156    18.626    0.000    0.000
LGA    K   152_A      K   152_A    13.120     0    0.097   0.750    21.067    0.000    0.000
LGA    L   153_A      L   153_A    11.960     0    0.033   1.402    16.839    0.714    0.357
LGA    I   154_A      I   154_A     8.991     0    0.056   0.117    13.641   10.595    5.714
LGA    A   155_A      A   155_A     5.184     0    0.029   0.032     6.719   28.571   25.524
LGA    G   156_A      G   156_A     6.183     0    0.037   0.037     6.225   28.690   28.690
LGA    L   157_A      L   157_A     3.300     0    0.055   0.100     9.147   48.571   32.083
LGA    A   158_A      A   158_A     3.671     0    0.186   0.194     6.169   38.690   40.952
LGA    V   159_A      V   159_A     4.921     0    0.335   1.256     7.796   27.500   23.265
LGA    R   160_A      R   160_A     4.127     0    0.527   0.953     8.198   37.262   28.009
LGA    R   161_A      R   161_A     8.028     0    0.049   1.237    20.866    7.857    2.857
LGA    K   162_A      K   162_A    10.434     0    0.045   0.556    20.854    1.429    0.635
LGA    V   163_A      V   163_A     6.591     0    0.053   0.176     8.977   20.238   14.558
LGA    C   164_A      C   164_A     3.483     0    0.058   0.057     5.745   43.452   36.905
LGA    K   165_A      K   165_A     7.376     0    0.080   0.948    14.808   13.690    6.138
LGA    L   166_A      L   166_A     8.918     0    0.073   0.164    14.894    5.476    2.738
LGA    V   167_A      V   167_A     6.071     0    0.602   0.667     8.538   30.357   20.340
LGA    Q   168_A      Q   168_A     4.217     0    0.622   1.424    10.208   47.262   24.550
LGA    D   169_A      D   169_A     3.516     0    0.091   1.179     9.089   50.238   28.929
LGA    G   170_A      G   170_A     3.251     0    0.258   0.258     4.012   52.262   52.262
LGA    H   171_A      H   171_A     3.389     0    0.466   0.889     5.884   53.690   44.286
LGA    I   172_A      I   172_A     3.594     0    0.169   0.740     3.853   45.000   47.857
LGA    D   173_A      D   173_A     3.313     0    0.235   1.060     3.797   51.786   52.976
LGA    E   174_A      E   174_A     3.460     4    0.041   0.043     4.527   53.571   27.302
LGA    T   175_A      T   175_A     1.819     0    0.049   0.166     3.855   75.000   66.463
LGA    V   176_A      V   176_A     2.085     0    0.065   0.118     4.022   68.929   58.980
LGA    Y   177_A      Y   177_A     2.967     7    0.060   0.067     3.910   62.857   24.563
LGA    R   178_A      R   178_A     2.188     0    0.076   1.103     9.404   70.833   40.346
LGA    A   179_A      A   179_A     1.970     0    0.050   0.055     2.920   75.000   71.429
LGA    L   180_A      L   180_A     2.669     0    0.033   1.434     7.049   64.881   50.893
LGA    D   181_A      D   181_A     2.304     0    0.016   0.207     5.480   70.833   52.143
LGA    E   182_A      E   182_A     2.264     0    0.021   0.197     5.314   68.929   50.212
LGA    M   183_A      M   183_A     3.251     0    0.079   0.242     7.553   57.262   39.107
LGA    A   184_A      A   184_A     2.531     0    0.047   0.061     3.357   64.881   61.905
LGA    A   185_A      A   185_A     1.740     0    0.231   0.250     2.659   71.071   68.286
LGA    G   186_A      G   186_A     2.181     0    0.563   0.563     3.480   63.095   63.095
LGA    A   187_A      A   187_A     1.898     0    0.271   0.340     2.745   68.929   66.571

# 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):    13.368         13.259                 13.840           12.635   10.094

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     24    2.98    20.238    17.200     0.780

LGA_LOCAL      RMSD:   2.977  Number of atoms:   24  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  31.308  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:  13.368  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.664285 * X  +  -0.313421 * Y  +  -0.678596 * Z  +  21.087069
  Y_new =   0.344300 * X  +   0.677505 * Y  +  -0.649957 * Z  + -63.613796
  Z_new =   0.663463 * X  +  -0.665397 * Y  +  -0.342146 * Z  +  60.353413 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.663411 -0.725437 -2.045738   [DEG:  152.6022  -41.5645 -117.2121 ]
ZXZ: -0.806952  1.919996  2.357650   [DEG:  -46.2349  110.0077  135.0834 ]
 
# END of job
