
#######################################################
#                                                     #
#                        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  127 ( 1021),  selected  127 , name one
# Molecule2: number of CA atoms  166 ( 1331),  selected  127 , 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:    25      89_A - 113_A       4.94    23.61
  LONGEST_CONTINUOUS_SEGMENT:    25      90_A - 114_A       4.82    23.83
  LCS_AVERAGE:     13.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    13      57_A - 69_A        1.76    27.24
  LCS_AVERAGE:      5.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    12      58_A - 69_A        0.84    29.40
  LCS_AVERAGE:      3.57

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     K    57_A     K    57_A      3   13   24      3    3    5    6   10   12   13   16   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     D    58_A     D    58_A     12   13   24      4   11   11   11   12   12   12   15   18   20   21   26   28   31   33   36   39   40   43   45 
LCS_GDT     P    59_A     P    59_A     12   13   24     10   11   11   11   12   12   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     K    60_A     K    60_A     12   13   24     10   11   11   11   12   12   13   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     T    61_A     T    61_A     12   13   24     10   11   11   11   12   12   13   16   18   22   25   28   31   33   35   36   39   40   43   45 
LCS_GDT     E    62_A     E    62_A     12   13   24     10   11   11   11   12   12   13   16   18   20   21   28   31   33   35   36   39   40   43   45 
LCS_GDT     Q    63_A     Q    63_A     12   13   24     10   11   11   11   12   12   13   16   18   20   21   28   31   33   35   36   39   40   43   45 
LCS_GDT     E    64_A     E    64_A     12   13   24     10   11   11   11   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     A    65_A     A    65_A     12   13   24     10   11   11   11   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     E    66_A     E    66_A     12   13   24     10   11   11   11   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     R    67_A     R    67_A     12   13   24     10   11   11   11   12   12   13   16   18   22   25   28   31   33   35   36   39   40   43   45 
LCS_GDT     I    68_A     I    68_A     12   13   24     10   11   11   11   12   12   13   16   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     L    69_A     L    69_A     12   13   24      3    3    8   11   12   12   13   16   17   22   24   28   30   33   35   36   39   40   43   45 
LCS_GDT     L    70_A     L    70_A      3    4   24      3    3    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     E    71_A     E    71_A      5    5   24      4    4    6    6    8    9   12   15   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     F    72_A     F    72_A      5    5   24      4    4    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     L    73_A     L    73_A      5    5   24      4    4    6    6    6    8   14   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     T    74_A     T    74_A      5    5   24      4    4    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     H    75_A     H    75_A      5    5   24      3    4    6    6    9   12   13   16   18   22   24   28   30   31   35   36   39   40   43   45 
LCS_GDT     R    76_A     R    76_A      5    5   24      3    4    5    6   10   12   13   14   15   18   20   22   24   26   28   29   30   34   39   40 
LCS_GDT     K    77_A     K    77_A      5    5   24      3    4    5    6    6    7    9   12   15   17   20   22   24   26   28   29   30   34   39   40 
LCS_GDT     A    78_A     A    78_A      5    5   24      3    4    5    6    6    8    9   12   15   17   20   22   24   26   28   29   31   34   39   40 
LCS_GDT     E    79_A     E    79_A      5    5   24      3    3    5    6    6    8    9   12   15   17   20   22   24   26   28   29   30   34   39   40 
LCS_GDT     R    80_A     R    80_A      3    4   24      3    3    6    6    7    9   10   11   15   17   20   22   24   26   28   29   30   34   39   40 
LCS_GDT     D    81_A     D    81_A      3    4   24      3    3    3    6    7    9   10   11   12   12   18   20   22   26   28   29   30   34   39   40 
LCS_GDT     R    82_A     R    82_A      3    4   24      3    3    3    5    5    7    9   12   15   17   20   22   24   26   28   29   30   32   34   40 
LCS_GDT     A    83_A     A    83_A      3    4   24      3    3    4    5    5    7    9   12   15   17   20   22   24   26   28   29   30   31   34   36 
LCS_GDT     A    84_A     A    84_A      3    7   24      3    3    5    5    7    8   10   12   15   17   20   22   24   26   28   29   30   31   32   34 
LCS_GDT     L    85_A     L    85_A      3    7   24      3    3    4    4    6    8   10   11   15   17   20   22   24   26   28   29   30   31   34   36 
LCS_GDT     R    86_A     R    86_A      3    7   24      3    3    5    5    7    8   10   12   15   17   20   22   24   26   28   29   30   31   34   36 
LCS_GDT     L    87_A     L    87_A      4    7   21      3    4    5    5    7    8   10   11   12   13   15   18   21   24   27   29   30   31   34   36 
LCS_GDT     Q    88_A     Q    88_A      4    7   20      3    4    5    5    6    8   10   11   12   14   14   17   20   21   26   29   34   34   35   38 
LCS_GDT     F    89_A     F    89_A      4    7   25      3    4    5    5    7    8   10   11   14   15   16   20   23   26   28   30   34   34   35   38 
LCS_GDT     S    90_A     S    90_A      4    8   25      3    4    6    7    9   11   14   16   19   19   21   23   25   27   28   30   34   35   35   38 
LCS_GDT     H    91_A     H    91_A      6    8   25      3    5    6    9   11   12   14   16   19   19   22   26   26   31   32   34   35   35   38   39 
LCS_GDT     S    92_A     S    92_A      6    8   25      3    5    6    8   10   12   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     F    93_A     F    93_A      6    8   25      3    5    6    8   10   11   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     E    94_A     E    94_A      6    8   25      3    5    6    8   10   11   15   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     V    95_A     V    95_A      6    8   25      3    5    6    8   10   11   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     N    96_A     N    96_A      6    8   25      3    5    6    8    9   11   13   16   19   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     L    97_A     L    97_A      5    8   25      3    4    6    7    9   10   13   16   20   23   24   26   27   31   32   34   35   35   39   40 
LCS_GDT     D    98_A     D    98_A      4    6   25      3    4    5    6    7   10   10   13   14   15   16   18   27   31   32   34   35   35   38   39 
LCS_GDT     N    99_A     N    99_A      4    6   25      3    4    6    7    8   10   11   13   14   15   16   22   25   29   32   33   35   35   38   39 
LCS_GDT     G   100_A     G   100_A      4    8   25      3    4    5    6    8   11   12   15   19   19   23   24   27   31   32   34   35   35   38   39 
LCS_GDT     R   101_A     R   101_A      4    8   25      3    4    5    6    8   11   14   16   19   23   23   26   27   31   32   34   35   35   38   39 
LCS_GDT     K   102_A     K   102_A      5   12   25      3    4    6    9   11   12   16   17   20   23   24   26   26   31   32   34   35   35   38   39 
LCS_GDT     I   103_A     I   103_A      5   12   25      3    4    6    8   11   12   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     M   104_A     M   104_A      5   12   25      3    5    6    9   11   12   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     R   105_A     R   105_A      5   12   25      3    5    6    9   11   12   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     L   106_A     L   106_A      7   12   25      3    5    7    9   11   12   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     Q   107_A     Q   107_A      7   12   25      3    5    7    9   11   12   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     L   108_A     L   108_A      7   12   25      4    5    7    8   11   12   15   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     G   109_A     G   109_A      7   12   25      4    5    7    9   11   12   14   16   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     Q   110_A     Q   110_A      7   12   25      4    5    7    8   11   12   14   16   19   23   23   24   27   31   32   34   35   35   38   39 
LCS_GDT     E   111_A     E   111_A      7   12   25      4    5    7    9   11   12   14   16   19   19   22   24   27   31   32   34   35   35   38   39 
LCS_GDT     T   112_A     T   112_A      7   12   25      3    5    7    9   11   12   14   16   19   19   22   24   27   31   32   34   35   35   38   39 
LCS_GDT     S   113_A     S   113_A      3   12   25      1    3    4    8   11   12   14   16   19   19   22   24   27   31   32   34   35   35   38   39 
LCS_GDT     T   114_A     T   114_A      6   12   25      4    5    6    8   11   12   13   16   17   19   22   23   25   27   28   31   34   35   37   39 
LCS_GDT     L   115_A     L   115_A      6   12   23      4    5    6    8   11   12   14   16   17   19   22   23   25   27   28   31   34   35   36   38 
LCS_GDT     Q   116_A     Q   116_A      6   12   23      4    5    6    8   11   12   14   16   17   19   22   23   25   27   28   31   34   35   36   38 
LCS_GDT     L   117_A     L   117_A      6   12   23      4    5    6    8   11   12   14   16   17   19   22   23   25   27   28   31   34   35   39   40 
LCS_GDT     E   118_A     E   118_A      6   12   23      4    5    6    8   11   12   14   16   17   19   22   23   25   26   28   31   34   35   39   40 
LCS_GDT     Q   119_A     Q   119_A      6   12   23      4    5    6    8   11   12   14   16   17   19   22   23   25   26   28   31   33   35   39   40 
LCS_GDT     K   120_A     K   120_A      5   12   23      3    5    5    8   11   12   14   16   17   19   22   23   25   26   28   31   32   35   39   40 
LCS_GDT     G   121_A     G   121_A      4   12   23      3    4    5    8   11   12   14   16   17   19   22   23   25   26   28   31   32   35   39   40 
LCS_GDT     R   122_A     R   122_A      4   12   23      3    4    5    8   11   12   14   16   17   19   22   23   25   26   28   31   32   35   37   40 
LCS_GDT     V   123_A     V   123_A      3   12   23      3    3    5    8   11   12   14   16   17   19   22   23   25   26   28   28   30   34   36   40 
LCS_GDT     L   124_A     L   124_A      4   12   23      3    4    5    8   11   12   14   16   17   19   22   23   25   26   28   29   32   34   37   40 
LCS_GDT     K   125_A     K   125_A      4    5   23      3    3    4    6   10   10   13   14   15   19   22   23   25   26   28   31   32   35   37   40 
LCS_GDT     M   126_A     M   126_A      4    5   23      3    4    5    7   11   11   13   14   15   19   22   23   25   26   28   31   34   35   39   40 
LCS_GDT     D   127_A     D   127_A      4    8   23      3    4    4    5    5    9   12   14   14   15   18   23   24   26   28   31   34   35   36   38 
LCS_GDT     E   128_A     E   128_A      7    9   23      1    6    7    9   10   10   12   14   14   15   20   23   25   26   28   31   34   35   36   38 
LCS_GDT     A   129_A     A   129_A      7    9   21      3    6    7    9   10   10   12   14   14   14   20   21   22   22   23   26   29   32   35   37 
LCS_GDT     F   130_A     F   130_A      7    9   21      3    6    7    9   10   10   12   14   14   14   20   21   22   22   23   26   29   33   35   37 
LCS_GDT     S   131_A     S   131_A      7    9   21      3    6    7    9   10   10   12   14   14   14   20   21   22   22   23   26   29   30   35   40 
LCS_GDT     I   132_A     I   132_A      7    9   21      3    6    7    9   10   10   12   14   14   14   20   23   29   31   31   36   38   40   41   42 
LCS_GDT     S   133_A     S   133_A      7    9   21      3    6    7    9   10   10   15   19   20   23   27   28   31   33   35   36   38   40   43   44 
LCS_GDT     L   134_A     L   134_A      7    9   21      3    5    7    9   11   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     E   135_A     E   135_A      3    9   21      3    3    3    6   10   10   12   14   15   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     Q   136_A     Q   136_A      3    9   21      1    3    3    3    7   10   12   14   14   17   20   21   24   26   32   35   37   40   42   44 
LCS_GDT     T   137_A     T   137_A      5    6   21      5    5    6    6    6    7   12   14   14   14   20   21   22   25   32   36   39   40   43   45 
LCS_GDT     E   138_A     E   138_A      5    6   21      5    5    6    6    6    7   12   14   14   14   17   18   22   23   24   26   28   31   42   45 
LCS_GDT     E   139_A     E   139_A      5    6   21      5    5    6    6    6    8   10   12   13   15   17   18   19   23   24   26   27   28   29   33 
LCS_GDT     L   140_A     L   140_A      5    6   21      5    5    6    6    6    7   11   12   13   15   17   18   19   23   24   25   27   28   29   33 
LCS_GDT     T   141_A     T   141_A      5    7   21      5    5    6    6    6    8    9   11   13   15   20   21   22   23   24   26   28   30   31   33 
LCS_GDT     E   142_A     E   142_A      5    7   21      4    5    6    9   10   10   12   14   14   15   17   18   19   23   24   26   28   30   32   36 
LCS_GDT     M   143_A     M   143_A      5    7   21      4    4    6    9   10   10   12   14   14   15   17   18   19   23   24   26   28   31   37   39 
LCS_GDT     F   144_A     F   144_A      5    7   21      4    4    5    5    6    9   11   12   13   15   17   18   19   23   28   36   37   39   43   45 
LCS_GDT     Y   145_A     Y   145_A      5    7   21      4    4    5    5    6    9   11   12   13   15   17   18   19   23   24   26   28   31   33   37 
LCS_GDT     E   146_A     E   146_A      4    7   21      3    3    4    5    6    7    9   12   13   15   17   18   19   21   24   26   28   34   38   39 
LCS_GDT     L   147_A     L   147_A      4    7   21      3    3    4    4    6    8   10   12   13   15   16   17   19   23   32   36   37   40   43   45 
LCS_GDT     G   148_A     G   148_A      4    5   20      3    3    4    5    6    7   10   12   13   15   16   18   19   23   32   36   37   39   43   45 
LCS_GDT     R   149_A     R   149_A      3    6   20      1    3    4    5    6    9   11   13   19   23   23   24   26   30   31   36   37   39   42   45 
LCS_GDT     F   150_A     F   150_A      5    6   20      4    5    5    5    6    9   11   12   13   15   17   18   21   23   26   28   29   31   33   37 
LCS_GDT     V   151_A     V   151_A      5    6   20      4    5    5    5    7   12   12   13   14   17   18   20   23   24   25   28   29   32   41   43 
LCS_GDT     V   152_A     V   152_A      5    6   20      4    5    5    5    7   12   12   13   14   15   17   20   21   22   25   26   27   29   31   34 
LCS_GDT     D   153_A     D   153_A      5    6   20      4    5    5    5    6    8   10   12   13   15   17   20   21   22   24   27   29   31   32   34 
LCS_GDT     G   154_A     G   154_A      5    6   20      3    5    5    5    6    9   11   13   14   15   17   18   19   21   24   27   29   31   32   34 
LCS_GDT     T   155_A     T   155_A      4    5   20      3    3    4    4    6    9   11   12   13   15   17   18   19   20   24   27   29   31   32   34 
LCS_GDT     K   156_A     K   156_A      4    5   20      3    3    4    5    6    8   10   13   14   14   15   16   20   21   24   27   29   31   32   34 
LCS_GDT     G   157_A     G   157_A      5   10   20      3    4    5   10   10   12   12   13   14   14   15   16   20   22   25   27   29   31   32   34 
LCS_GDT     E   158_A     E   158_A      9   10   20      3    7    9   10   10   12   12   13   14   14   15   19   21   22   25   27   29   31   32   34 
LCS_GDT     Q   159_A     Q   159_A      9   10   20      3    7    9   10   10   12   12   13   14   14   18   19   21   23   25   26   27   29   31   34 
LCS_GDT     G   160_A     G   160_A      9   10   20      3    7    9   10   10   12   12   13   16   18   20   21   22   23   25   26   27   27   32   34 
LCS_GDT     G   161_A     G   161_A      9   10   20      3    7    9   10   10   12   12   16   17   18   20   21   22   23   25   26   27   29   32   34 
LCS_GDT     F   162_A     F   162_A      9   10   19      3    7    9   10   10   12   12   14   15   17   18   20   23   24   25   27   29   31   33   38 
LCS_GDT     I   163_A     I   163_A      9   10   19      3    7    9   10   10   12   12   13   14   22   23   28   30   31   34   36   39   40   43   45 
LCS_GDT     S   164_A     S   164_A      9   10   19      3    7    9   10   10   12   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     I   165_A     I   165_A      9   11   19      3    5    9   10   10   12   12   15   19   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     D   166_A     D   166_A      9   11   19      2    5    9   10   10   12   12   13   18   19   22   28   31   33   35   36   39   40   43   45 
LCS_GDT     E   167_A     E   167_A      5   11   19      3    5    5    7    9   11   11   11   18   19   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     R   168_A     R   168_A      5   11   19      3    5    5    7    9   11   11   15   19   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     D   169_A     D   169_A      6   11   19      4    5    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     V   170_A     V   170_A      6   11   17      4    5    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     Y   171_A     Y   171_A      6   11   16      4    5    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     L   172_A     L   172_A      6   11   16      4    5    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     L   173_A     L   173_A      6   11   16      4    5    6    8   12   14   15   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     A   174_A     A   174_A      6   11   16      4    5    6    8   12   14   16   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     A   175_A     A   175_A      6   11   16      3    5    6    8   12   14   16   19   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     G   176_A     G   176_A      6    9   16      4    5    6    7    9   10   16   17   20   23   27   28   31   33   35   36   39   40   43   45 
LCS_GDT     R   177_A     R   177_A      6    8   16      4    5    6    7    9   10   14   15   16   21   24   26   27   31   32   36   39   40   43   45 
LCS_GDT     E   178_A     E   178_A      6    7   16      4    5    6    7    9   10   14   15   16   21   24   26   26   31   32   34   35   35   38   45 
LCS_GDT     C   179_A     C   179_A      6    7   16      4    5    6    7    9   10   16   17   20   22   24   27   29   33   35   36   39   40   43   45 
LCS_GDT     A   180_A     A   180_A      4    7   16      3    4    5    5    8   10   16   17   20   23   24   26   27   31   32   34   39   39   43   45 
LCS_GDT     E   181_A     E   181_A      4    7   16      3    4    5    7   11   11   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     A   182_A     A   182_A      3    5   16      0    3    3    6   11   11   16   17   20   23   24   26   27   31   32   34   35   35   38   39 
LCS_GDT     G   183_A     G   183_A      3    3   16      0    3    3    3    3    3    6    7   10   11   13   14   23   29   31   34   35   35   38   39 
LCS_AVERAGE  LCS_A:   7.37  (   3.57    5.32   13.23 )

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     10     11     11     11     12     14     16     19     20     23     27     28     31     33     35     36     39     40     43     45 
GDT PERCENT_AT   6.02   6.63   6.63   6.63   7.23   8.43   9.64  11.45  12.05  13.86  16.27  16.87  18.67  19.88  21.08  21.69  23.49  24.10  25.90  27.11
GDT RMS_LOCAL    0.32   0.53   0.53   0.53   0.84   2.18   2.75   2.85   2.95   3.35   3.74   3.85   4.23   4.44   4.68   4.83   5.43   5.38   5.88   6.32
GDT RMS_ALL_AT  28.06  28.68  28.68  28.68  29.40  18.33  28.89  18.38  18.38  18.59  18.75  18.69  18.89  18.83  18.76  18.66  18.86  18.52  18.93  19.33

# Checking swapping
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    81_A      D    81_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  D   127_A      D   127_A
#   possible swapping detected:  E   128_A      E   128_A
#   possible swapping detected:  F   130_A      F   130_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  F   144_A      F   144_A
#   possible swapping detected:  Y   145_A      Y   145_A
#   possible swapping detected:  E   146_A      E   146_A
#   possible swapping detected:  F   162_A      F   162_A
#   possible swapping detected:  E   167_A      E   167_A
#   possible swapping detected:  Y   171_A      Y   171_A
#   possible swapping detected:  E   178_A      E   178_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    57_A      K    57_A     4.839     0    0.171   0.302     6.891   25.357   23.968
LGA    D    58_A      D    58_A     8.711     0    0.542   1.551    14.003    9.048    4.524
LGA    P    59_A      P    59_A     3.216     0    0.047   0.118     5.721   35.238   39.320
LGA    K    60_A      K    60_A     4.349     0    0.052   0.969     6.752   31.667   36.296
LGA    T    61_A      T    61_A     6.164     0    0.072   0.274     7.127   26.786   21.088
LGA    E    62_A      E    62_A     7.000     0    0.071   1.426    13.829   16.667    7.725
LGA    Q    63_A      Q    63_A     7.193     0    0.053   1.400    13.800   15.714    7.302
LGA    E    64_A      E    64_A     3.302     0    0.078   0.259     4.569   50.833   57.937
LGA    A    65_A      A    65_A     0.829     0    0.069   0.068     2.176   77.262   74.762
LGA    E    66_A      E    66_A     3.839     0    0.069   0.988    10.943   39.524   22.434
LGA    R    67_A      R    67_A     6.466     0    0.130   0.814     9.976   16.905    8.095
LGA    I    68_A      I    68_A     5.764     0    0.594   0.567     6.534   19.524   24.405
LGA    L    69_A      L    69_A     6.476     0    0.598   0.549    10.334   18.452   10.536
LGA    L    70_A      L    70_A     1.419     0    0.622   1.152     5.433   63.333   55.536
LGA    E    71_A      E    71_A     5.207     0    0.611   1.159    13.282   40.714   19.048
LGA    F    72_A      F    72_A     2.557     0    0.085   1.112     4.382   61.548   53.810
LGA    L    73_A      L    73_A     3.697     0    0.046   0.106     7.816   46.905   31.429
LGA    T    74_A      T    74_A     2.200     0    0.586   0.630     5.029   49.762   49.048
LGA    H    75_A      H    75_A     7.359     0    0.583   1.183    13.736    9.167    4.714
LGA    R    76_A      R    76_A    13.266     0    0.051   1.490    18.345    0.000    0.000
LGA    K    77_A      K    77_A    15.041     0    0.079   0.931    19.276    0.000    0.000
LGA    A    78_A      A    78_A    13.929     0    0.618   0.628    14.359    0.000    0.000
LGA    E    79_A      E    79_A    16.177     0    0.574   1.274    21.617    0.000    0.000
LGA    R    80_A      R    80_A    16.654     0    0.000   1.678    19.026    0.000    0.000
LGA    D    81_A      D    81_A    17.076     0    0.581   1.111    18.364    0.000    0.000
LGA    R    82_A      R    82_A    19.564     0    0.595   1.165    27.280    0.000    0.000
LGA    A    83_A      A    83_A    22.836     0    0.559   0.583    25.805    0.000    0.000
LGA    A    84_A      A    84_A    24.869     0    0.478   0.491    26.636    0.000    0.000
LGA    L    85_A      L    85_A    26.421     0    0.054   1.369    28.636    0.000    0.000
LGA    R    86_A      R    86_A    29.168     0    0.302   1.165    36.610    0.000    0.000
LGA    L    87_A      L    87_A    29.447     0    0.515   1.398    29.447    0.000    0.000
LGA    Q    88_A      Q    88_A    28.310     0    0.018   1.269    29.791    0.000    0.000
LGA    F    89_A      F    89_A    28.396     0    0.074   0.811    28.936    0.000    0.000
LGA    S    90_A      S    90_A    30.636     0    0.649   0.848    31.208    0.000    0.000
LGA    H    91_A      H    91_A    32.893     0    0.587   1.015    39.150    0.000    0.000
LGA    S    92_A      S    92_A    28.695     0    0.052   0.490    29.735    0.000    0.000
LGA    F    93_A      F    93_A    24.694     0    0.071   1.407    28.153    0.000    0.000
LGA    E    94_A      E    94_A    21.899     0    0.033   0.596    22.800    0.000    0.000
LGA    V    95_A      V    95_A    18.586     0    0.139   0.205    19.759    0.000    0.000
LGA    N    96_A      N    96_A    18.258     0    0.164   1.027    22.275    0.000    0.000
LGA    L    97_A      L    97_A    15.988     0    0.114   0.188    18.693    0.000    0.000
LGA    D    98_A      D    98_A    19.064     0    0.471   0.993    21.605    0.000    0.000
LGA    N    99_A      N    99_A    18.095     0    0.545   0.789    19.567    0.000    0.000
LGA    G   100_A      G   100_A    22.772     0    0.225   0.225    24.075    0.000    0.000
LGA    R   101_A      R   101_A    20.985     0    0.034   1.229    21.313    0.000    0.000
LGA    K   102_A      K   102_A    22.654     0    0.128   0.652    24.340    0.000    0.000
LGA    I   103_A      I   103_A    23.998     0    0.099   0.229    27.736    0.000    0.000
LGA    M   104_A      M   104_A    26.612     0    0.066   0.849    27.419    0.000    0.000
LGA    R   105_A      R   105_A    29.037     0    0.254   0.774    37.059    0.000    0.000
LGA    L   106_A      L   106_A    28.250     0    0.083   0.286    28.774    0.000    0.000
LGA    Q   107_A      Q   107_A    31.684     0    0.059   1.369    37.056    0.000    0.000
LGA    L   108_A      L   108_A    28.835     0    0.037   0.094    32.290    0.000    0.000
LGA    G   109_A      G   109_A    32.139     0    0.044   0.044    32.139    0.000    0.000
LGA    Q   110_A      Q   110_A    31.105     0    0.111   0.954    35.669    0.000    0.000
LGA    E   111_A      E   111_A    29.556     0    0.117   1.033    32.793    0.000    0.000
LGA    T   112_A      T   112_A    28.016     0    0.705   0.616    32.055    0.000    0.000
LGA    S   113_A      S   113_A    26.065     0    0.634   0.855    26.655    0.000    0.000
LGA    T   114_A      T   114_A    26.296     0    0.695   0.583    29.882    0.000    0.000
LGA    L   115_A      L   115_A    22.451     0    0.142   1.081    25.155    0.000    0.000
LGA    Q   116_A      Q   116_A    22.399     0    0.163   1.359    23.523    0.000    0.000
LGA    L   117_A      L   117_A    18.940     0    0.068   1.191    20.810    0.000    0.000
LGA    E   118_A      E   118_A    17.751     0    0.000   0.150    23.131    0.000    0.000
LGA    Q   119_A      Q   119_A    14.918     0    0.068   1.112    16.027    0.000    0.000
LGA    K   120_A      K   120_A    16.115     0    0.185   0.932    18.525    0.000    0.000
LGA    G   121_A      G   121_A    14.129     0    0.462   0.462    15.274    0.000    0.000
LGA    R   122_A      R   122_A    18.353     0    0.631   1.494    21.145    0.000    0.000
LGA    V   123_A      V   123_A    20.367     0    0.349   0.523    21.233    0.000    0.000
LGA    L   124_A      L   124_A    19.727     0    0.495   1.440    20.391    0.000    0.000
LGA    K   125_A      K   125_A    18.097     0    0.050   0.894    21.707    0.000    0.000
LGA    M   126_A      M   126_A    16.798     0    0.065   1.656    17.383    0.000    0.000
LGA    D   127_A      D   127_A    16.735     0    0.674   1.285    19.835    0.000    0.000
LGA    E   128_A      E   128_A    19.323     0    0.607   1.107    20.933    0.000    0.000
LGA    A   129_A      A   129_A    19.182     0    0.661   0.610    21.879    0.000    0.000
LGA    F   130_A      F   130_A    17.385     0    0.126   1.279    18.450    0.000    0.000
LGA    S   131_A      S   131_A    12.854     0    0.134   0.633    14.672    0.000    0.000
LGA    I   132_A      I   132_A     7.853     0    0.089   1.284     9.271   10.714    8.452
LGA    S   133_A      S   133_A     3.601     0    0.065   0.097     5.154   49.881   51.111
LGA    L   134_A      L   134_A     1.744     0    0.404   0.430     5.243   65.357   56.726
LGA    E   135_A      E   135_A     6.651     0    0.565   1.415    10.765   13.690    6.825
LGA    Q   136_A      Q   136_A     9.965     0    0.584   0.871    16.454    1.786    0.794
LGA    T   137_A      T   137_A     9.355     0    0.605   0.631    11.657    0.714    1.293
LGA    E   138_A      E   138_A    14.076     0    0.079   1.181    17.077    0.000    0.000
LGA    E   139_A      E   139_A    19.399     0    0.080   1.037    22.036    0.000    0.000
LGA    L   140_A      L   140_A    17.362     0    0.048   1.381    18.092    0.000    0.000
LGA    T   141_A      T   141_A    14.070     0    0.568   1.294    14.918    0.000    0.000
LGA    E   142_A      E   142_A    17.800     0    0.035   0.943    24.097    0.000    0.000
LGA    M   143_A      M   143_A    14.857     0    0.085   1.118    21.388    0.000    0.000
LGA    F   144_A      F   144_A    10.586     0    0.197   1.274    11.902    0.000    0.909
LGA    Y   145_A      Y   145_A    14.639     0    0.538   1.248    20.046    0.000    0.000
LGA    E   146_A      E   146_A    15.230     0    0.558   1.472    20.347    0.000    0.000
LGA    L   147_A      L   147_A    10.242     0    0.161   1.414    11.665    0.476    1.726
LGA    G   148_A      G   148_A    10.173     0    0.666   0.666    10.311    0.000    0.000
LGA    R   149_A      R   149_A    11.008     0    0.658   1.581    14.231    0.000    0.000
LGA    F   150_A      F   150_A    13.438     0    0.632   1.306    17.609    0.000    0.000
LGA    V   151_A      V   151_A    13.151     0    0.144   0.210    16.685    0.000    0.000
LGA    V   152_A      V   152_A    18.780     0    0.113   1.170    20.737    0.000    0.000
LGA    D   153_A      D   153_A    22.457     0    0.627   1.253    25.970    0.000    0.000
LGA    G   154_A      G   154_A    26.977     0    0.671   0.671    28.857    0.000    0.000
LGA    T   155_A      T   155_A    32.839     0    0.259   1.163    36.138    0.000    0.000
LGA    K   156_A      K   156_A    36.039     0    0.676   0.801    40.002    0.000    0.000
LGA    G   157_A      G   157_A    32.139     0    0.571   0.571    33.630    0.000    0.000
LGA    E   158_A      E   158_A    31.609     0    0.090   1.174    39.757    0.000    0.000
LGA    Q   159_A      Q   159_A    26.011     0    0.125   1.021    28.358    0.000    0.000
LGA    G   160_A      G   160_A    25.284     0    0.177   0.177    25.284    0.000    0.000
LGA    G   161_A      G   161_A    20.653     0    0.123   0.123    22.171    0.000    0.000
LGA    F   162_A      F   162_A    13.938     0    0.052   1.375    17.202    0.000    0.000
LGA    I   163_A      I   163_A     7.428     0    0.069   0.245     9.501   12.262   13.036
LGA    S   164_A      S   164_A     3.829     0    0.083   0.413     4.960   51.071   48.571
LGA    I   165_A      I   165_A     5.687     0    0.176   0.170    10.244   19.762   14.405
LGA    D   166_A      D   166_A     7.902     0    0.573   0.691    11.855    8.095    4.643
LGA    E   167_A      E   167_A     7.383     0    0.549   0.603    12.968   17.143    7.937
LGA    R   168_A      R   168_A     6.006     0    0.221   1.043     6.761   27.738   34.156
LGA    D   169_A      D   169_A     2.558     0    0.069   0.152     5.320   43.929   44.048
LGA    V   170_A      V   170_A     3.555     0    0.000   1.101     8.107   59.524   39.184
LGA    Y   171_A      Y   171_A     1.239     0    0.098   1.113     8.689   64.048   36.190
LGA    L   172_A      L   172_A     2.561     0    0.065   0.750     9.043   69.048   42.024
LGA    L   173_A      L   173_A     2.190     0    0.086   0.084     8.926   69.286   42.321
LGA    A   174_A      A   174_A     2.594     0    0.707   0.658     4.460   64.881   59.333
LGA    A   175_A      A   175_A     1.433     0    0.049   0.063     4.263   62.024   58.286
LGA    G   176_A      G   176_A     5.047     0    0.141   0.141     6.879   27.500   27.500
LGA    R   177_A      R   177_A    11.348     0    0.000   1.103    22.841    0.357    0.130
LGA    E   178_A      E   178_A    13.956     0    0.311   1.253    17.725    0.000    0.000
LGA    C   179_A      C   179_A     8.463     0    0.590   0.607    11.949    1.310    7.302
LGA    A   180_A      A   180_A    12.424     0    0.115   0.126    16.230    0.000    0.000
LGA    E   181_A      E   181_A    17.948     0    0.557   1.358    23.980    0.000    0.000
LGA    A   182_A      A   182_A    17.777     0    0.618   0.604    20.836    0.000    0.000
LGA    G   183_A      G   183_A    19.203     0    0.572   0.572    20.319    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1021   1021  100.00               166
SUMMARY(RMSD_GDC):    16.029         15.982                 16.806            8.404    6.981

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  127  166    4.0     19    2.85    11.596     9.953     0.644

LGA_LOCAL      RMSD:   2.849  Number of atoms:   19  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.376  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  16.029  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.470984 * X  +  -0.769096 * Y  +   0.432048 * Z  + -103.022377
  Y_new =   0.878930 * X  +   0.450890 * Y  +  -0.155500 * Z  + -238.414505
  Z_new =  -0.075212 * X  +   0.452978 * Y  +   0.888344 * Z  + -266.321045 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.078874  0.075283  0.471546   [DEG:   61.8149    4.3134   27.0176 ]
ZXZ:  1.225317  0.477071 -0.164537   [DEG:   70.2055   27.3342   -9.4273 ]
 
# END of job
