
#######################################################
#                                                     #
#                        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  141 ( 1147),  selected  132 , name one
# Molecule2: number of CA atoms  166 ( 1331),  selected  132 , 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:    26     126_A - 151_A       4.87    24.11
  LONGEST_CONTINUOUS_SEGMENT:    26     127_A - 152_A       4.84    24.08
  LCS_AVERAGE:     12.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      62_A - 80_A        1.92    24.68
  LCS_AVERAGE:      4.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      64_A - 77_A        0.96    25.49
  LONGEST_CONTINUOUS_SEGMENT:    14      65_A - 78_A        0.94    25.09
  LCS_AVERAGE:      3.41

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     D    31_A     D    31_A      5    6   22      3    6    6    6    6    8    9   11   15   18   19   20   23   25   26   28   30   32   34   42 
LCS_GDT     H    32_A     H    32_A      5    6   22      4    5    5    5    6    7    9   11   15   18   19   24   25   29   32   34   40   41   41   43 
LCS_GDT     A    33_A     A    33_A      5    6   22      4    5    5    6    8    9   10   12   15   18   19   20   23   29   33   37   40   41   41   44 
LCS_GDT     D    34_A     D    34_A      5    6   22      4    5    5    5    6    7    9   11   15   18   19   20   23   25   26   28   30   32   41   42 
LCS_GDT     A    35_A     A    35_A      5    8   22      4    5    5    5    7    8   10   11   15   18   22   23   25   30   33   37   40   41   41   44 
LCS_GDT     A    36_A     A    36_A      7    8   22      6    7    8    9    9   12   13   16   17   19   22   23   26   30   33   37   40   41   41   44 
LCS_GDT     Y    37_A     Y    37_A      7    8   22      6    7    8    9    9   12   13   16   17   19   22   23   24   29   32   35   40   41   41   44 
LCS_GDT     V    38_A     V    38_A      7    8   22      6    7    8    9    9   12   13   16   17   19   22   23   26   30   33   37   40   41   41   44 
LCS_GDT     E    39_A     E    39_A      7    8   22      6    7    8    9    9   12   13   16   17   19   22   23   26   30   32   37   40   41   41   44 
LCS_GDT     K    40_A     K    40_A      7    9   22      6    7    8    9   10   12   13   16   17   19   22   23   24   27   32   35   38   41   41   44 
LCS_GDT     H    41_A     H    41_A      7    9   22      6    7    8    9    9   12   13   16   17   19   22   23   24   26   30   33   36   39   41   44 
LCS_GDT     N    42_A     N    42_A      7    9   22      4    7    8    9   10   12   13   16   17   19   22   23   24   26   30   33   36   39   41   44 
LCS_GDT     L    43_A     L    43_A      6    9   22      5    5    6    8   10   11   12   13   15   18   19   20   23   25   26   28   32   34   37   40 
LCS_GDT     Q    44_A     Q    44_A      6    9   22      5    5    6    8   10   11   12   13   15   18   19   20   23   25   26   28   30   34   37   38 
LCS_GDT     C    45_A     C    45_A      6    9   22      5    5    6    8   10   11   12   13   15   18   19   20   23   25   26   28   30   34   36   38 
LCS_GDT     L    46_A     L    46_A      6    9   22      5    5    6    8   10   11   12   13   15   18   19   20   23   25   26   28   30   33   36   38 
LCS_GDT     F    47_A     F    47_A      6    9   22      5    5    6    8   10   11   12   13   15   18   19   20   23   25   26   28   30   32   33   38 
LCS_GDT     S    48_A     S    48_A      6    9   22      3    5    6    8   10   11   12   13   15   18   19   20   23   25   26   28   30   32   33   38 
LCS_GDT     E    49_A     E    49_A      4    5   22      3    4    4    5    5    7    9   11   14   18   19   20   23   25   26   28   30   32   33   38 
LCS_GDT     M    50_A     M    50_A      5    7   22      3    4    5    6    7    7    9   11   14   17   18   20   23   25   26   28   28   31   33   38 
LCS_GDT     A    51_A     A    51_A      5    7   22      3    4    5    6    7    7    9   11   14   16   19   20   23   25   26   28   30   32   33   38 
LCS_GDT     E    52_A     E    52_A      5    7   22      3    4    5    6    7    7    9   11   14   16   17   20   23   25   26   28   28   31   33   38 
LCS_GDT     Q    53_A     Q    53_A      5    7   19      3    4    5    6    7    8    9   11   14   14   15   16   20   21   22   25   26   31   31   34 
LCS_GDT     L    54_A     L    54_A      5    7   19      3    4    5    6    7    8    9   11   14   14   15   16   20   21   22   25   27   31   33   35 
LCS_GDT     S    55_A     S    55_A      4    7   19      3    6    6    6    7    8    9   11   14   17   19   20   23   27   27   30   32   34   36   38 
LCS_GDT     E    56_A     E    56_A      4    7   19      3    4    4    5    7    7    8   10   14   14   15   16   20   23   27   30   32   34   36   38 
LCS_GDT     K    57_A     K    57_A      4    6   25      3    6    6    6    7    8    9   11   14   14   15   16   20   22   25   30   32   34   36   38 
LCS_GDT     D    58_A     D    58_A      4    6   25      3    6    6    6    7    8   10   12   15   17   20   21   23   27   27   30   32   34   36   38 
LCS_GDT     P    59_A     P    59_A      4    6   25      3    6    6    6    7    8   10   12   15   17   20   21   23   27   27   30   32   34   36   40 
LCS_GDT     K    60_A     K    60_A      4    6   25      3    6    6    6    7    8    9   11   15   17   20   21   23   27   27   30   32   34   35   36 
LCS_GDT     T    61_A     T    61_A      3    4   25      3    3    4    4    5    7    9   11   13   14   18   19   22   24   27   30   31   34   38   42 
LCS_GDT     E    62_A     E    62_A      3   19   25      3    3    4    9   11   13   19   19   21   22   23   24   26   30   33   37   40   41   41   44 
LCS_GDT     Q    63_A     Q    63_A     13   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   29   32   37   40   41   41   44 
LCS_GDT     E    64_A     E    64_A     14   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     A    65_A     A    65_A     14   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     E    66_A     E    66_A     14   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     R    67_A     R    67_A     14   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     I    68_A     I    68_A     14   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     L    69_A     L    69_A     14   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     L    70_A     L    70_A     14   19   25      8   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     E    71_A     E    71_A     14   19   25      5   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     F    72_A     F    72_A     14   19   25      5   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     L    73_A     L    73_A     14   19   25      5   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     T    74_A     T    74_A     14   19   25      5   11   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   41   44 
LCS_GDT     H    75_A     H    75_A     14   19   25      4   10   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   43   48 
LCS_GDT     R    76_A     R    76_A     14   19   25      4   10   14   16   17   18   19   20   21   23   25   25   26   30   33   37   40   41   44   48 
LCS_GDT     K    77_A     K    77_A     14   19   25      5   11   14   16   17   18   19   20   21   22   23   24   26   30   32   37   40   41   42   48 
LCS_GDT     A    78_A     A    78_A     14   19   25      3   10   14   16   17   18   19   20   21   22   23   24   26   30   33   37   40   41   44   48 
LCS_GDT     E    79_A     E    79_A     13   19   25      3    9   12   16   17   18   19   20   21   23   25   25   26   29   32   34   39   41   44   48 
LCS_GDT     R    80_A     R    80_A      3   19   25      3    8   13   15   17   18   19   20   21   23   25   25   26   30   33   37   40   41   44   48 
LCS_GDT     D    81_A     D    81_A      3    4   25      3    3    4    5    6   10   12   12   19   21   25   25   26   30   33   37   40   41   44   48 
LCS_GDT     R    82_A     R    82_A      3    4   25      3    3    4    8    8    8    8   12   18   21   22   24   26   30   33   37   40   41   44   48 
LCS_GDT     A    83_A     A    83_A      3    3   23      3    3    7    8    8    8    9   11   18   21   22   24   25   30   32   37   40   41   44   48 
LCS_GDT     A    84_A     A    84_A      3    3   19      3    4    4    4    5    7    9   11   18   21   22   24   24   26   30   34   39   41   44   48 
LCS_GDT     L    85_A     L    85_A      3    3   19      3    4    4    4    5    7    9   11   18   21   22   24   24   25   29   34   39   41   44   48 
LCS_GDT     R    86_A     R    86_A      3    4   19      3    4    4    4    6    6    9    9   13   13   18   18   22   26   29   34   39   41   44   48 
LCS_GDT     L    87_A     L    87_A      3    6   21      3    3    4    6    6    8   11   12   15   16   18   19   21   25   29   34   39   41   44   48 
LCS_GDT     Q    88_A     Q    88_A      4    6   21      3    4    4    5    7    9   11   12   15   16   18   20   21   25   28   34   39   41   44   48 
LCS_GDT     F    89_A     F    89_A      4    6   21      3    4    4    5    7   10   12   13   15   16   18   20   21   25   28   34   39   41   44   48 
LCS_GDT     S    90_A     S    90_A      4    6   21      3    4    4    5    7   10   12   13   15   16   21   24   24   26   29   34   39   41   44   48 
LCS_GDT     H    91_A     H    91_A      4    6   21      3    4    4    5    7   10   12   13   15   16   18   20   21   26   28   30   33   41   44   48 
LCS_GDT     S    92_A     S    92_A      4    6   21      1    3    4    5    6    9   12   13   15   16   18   20   21   26   29   33   38   41   44   48 
LCS_GDT     F    93_A     F    93_A      3    4   21      1    3    4    5    7    8    9   12   15   16   18   20   22   26   29   34   39   41   44   48 
LCS_GDT     E    94_A     E    94_A      4    5   21      4    4    4    4    6    6    9   10   13   14   17   20   23   26   29   34   39   41   44   48 
LCS_GDT     V    95_A     V    95_A      4    5   21      4    4    4    4    5    6    9    9   13   14   17   20   23   26   28   33   36   41   44   48 
LCS_GDT     N    96_A     N    96_A      4    5   21      4    4    4    4    5    5    7    9   13   16   17   22   25   27   29   32   36   40   44   48 
LCS_GDT     L    97_A     L    97_A      4    5   21      4    4    4    4    5    5    7    9   11   13   17   20   25   27   29   32   33   37   42   48 
LCS_GDT     D    98_A     D    98_A      3    5   21      3    3    3    4    5    5    7    9   16   18   21   23   25   27   29   32   33   37   41   48 
LCS_GDT     N    99_A     N    99_A      5    6   21      3    4    5    6    7    8    9   12   14   16   19   23   25   26   29   32   34   40   44   48 
LCS_GDT     G   100_A     G   100_A      5    6   21      3    4    5    6    7   10   12   13   15   16   18   20   21   26   28   30   34   40   43   48 
LCS_GDT     R   101_A     R   101_A      5    6   21      3    4    5    8   10   11   12   13   15   16   19   20   23   26   28   30   33   38   41   45 
LCS_GDT     K   102_A     K   102_A      5    6   21      3    4    6    6    7   11   12   13   15   17   19   20   23   26   28   30   33   38   41   45 
LCS_GDT     I   103_A     I   103_A      5    6   21      4    4    6    8   10   11   12   13   14   16   19   20   22   26   28   30   33   38   41   46 
LCS_GDT     M   104_A     M   104_A      5    6   21      4    4    6    6    7   10   12   13   15   16   18   20   22   26   28   30   33   38   43   48 
LCS_GDT     R   105_A     R   105_A      5    6   21      4    4    5    5    6   10   12   13   15   16   18   20   21   26   28   30   33   40   43   48 
LCS_GDT     L   106_A     L   106_A      5    6   21      4    4    5    5    6   10   12   13   15   16   18   20   21   26   28   30   34   40   44   48 
LCS_GDT     Q   107_A     Q   107_A      3    6   21      3    4    4    4    6    9   11   13   15   16   18   18   21   26   28   30   33   38   43   48 
LCS_GDT     L   108_A     L   108_A      3    4   12      3    4    4    4    4    5    7    8    9   12   14   15   16   20   22   23   30   32   32   38 
LCS_GDT     G   109_A     G   109_A      4    5   12      3    4    4    4    5    5    7    8    9   12   14   15   16   18   19   21   23   26   28   31 
LCS_GDT     Q   110_A     Q   110_A      4    5   12      3    4    4    4    5    5    6    6    7    7    8   12   14   16   18   18   21   22   24   26 
LCS_GDT     E   111_A     E   111_A      4    5   12      3    4    4    4    5    5    7    8    9   10   12   13   14   16   19   20   22   26   28   31 
LCS_GDT     T   112_A     T   112_A      4    5   12      3    4    4    4    5    5    7    8   11   12   14   15   16   18   19   20   23   26   28   31 
LCS_GDT     S   113_A     S   113_A      4    6   13      3    3    4    4    5    6    7    8   11   12   14   15   16   18   19   21   23   26   28   31 
LCS_GDT     T   114_A     T   114_A      4    6   13      3    4    4    5    5    6    7    8   11   12   14   15   16   18   19   21   23   26   28   31 
LCS_GDT     L   115_A     L   115_A      4    6   13      3    4    4    5    5    6    7    9   12   16   18   18   20   24   25   30   32   36   37   42 
LCS_GDT     Q   116_A     Q   116_A      4    6   13      3    4    4    5    7   10   12   13   15   16   17   20   21   26   28   30   33   38   42   48 
LCS_GDT     L   117_A     L   117_A      4    6   13      3    4    4    5    5    6    7    9   13   16   17   20   21   23   26   31   36   40   44   48 
LCS_GDT     E   118_A     E   118_A      4    6   13      3    3    4    5    5    6    7   10   15   17   17   20   22   26   29   33   38   41   44   48 
LCS_GDT     Q   119_A     Q   119_A      4    5   13      3    3    4    5    5    6    7   11   14   17   17   21   24   26   29   34   39   41   44   48 
LCS_GDT     K   120_A     K   120_A      4    5   13      3    3    4    5    5    6    8   10   12   13   17   20   24   25   29   34   39   41   44   48 
LCS_GDT     G   121_A     G   121_A      4    5   13      3    3    4    5    5    5    8   10   11   13   16   18   19   21   22   25   33   38   42   44 
LCS_GDT     R   122_A     R   122_A      4    6   13      3    3    4    4    5    6    7    8   10   14   16   18   19   20   22   25   26   27   28   29 
LCS_GDT     V   123_A     V   123_A      4    6   13      3    4    4    4    6    6    7    8    9   14   16   18   19   20   22   25   26   27   28   29 
LCS_GDT     L   124_A     L   124_A      4    6   13      3    4    4    4    6    6    8   10   12   14   16   19   21   23   24   25   26   27   29   30 
LCS_GDT     K   125_A     K   125_A      4    6   24      3    4    4    4    6    6    7    8    9   13   14   15   15   16   20   23   26   27   29   30 
LCS_GDT     M   126_A     M   126_A      4    6   26      3    4    4    4    6    6    7    8    9   13   14   19   21   21   24   25   27   28   29   30 
LCS_GDT     D   127_A     D   127_A      3    6   26      3    3    4    4    6    6    7    8    9   14   18   21   24   26   27   28   29   33   33   36 
LCS_GDT     E   128_A     E   128_A      3    6   26      3    3    4    4    6   11   12   15   17   19   21   23   25   26   29   32   32   33   34   36 
LCS_GDT     A   129_A     A   129_A      3    5   26      1    3    3    5    9   12   14   16   17   19   21   23   25   27   29   32   36   39   41   44 
LCS_GDT     F   130_A     F   130_A      3    5   26      0    3    3    5    7   12   14   16   17   19   21   23   25   27   29   32   36   40   44   48 
LCS_GDT     S   131_A     S   131_A      3    5   26      1    3    6    7    9   12   14   16   17   19   21   23   25   27   29   32   39   41   44   48 
LCS_GDT     I   132_A     I   132_A      4    5   26      3    4    4    4    7    8    8   11   16   19   21   23   25   27   29   34   39   41   44   48 
LCS_GDT     S   133_A     S   133_A      4    4   26      3    4    4    5    6   10   14   16   17   19   21   24   25   27   29   34   39   41   44   48 
LCS_GDT     L   134_A     L   134_A      4    4   26      3    4    5    5    7   10   14   16   18   21   22   24   25   27   29   34   39   41   44   48 
LCS_GDT     E   135_A     E   135_A      4    4   26      3    4    6    7    7   10   14   15   17   19   22   24   25   28   29   34   39   41   44   48 
LCS_GDT     Q   136_A     Q   136_A      6    8   26      5    6    7    8   10   12   14   17   19   23   25   25   26   29   33   37   40   41   44   48 
LCS_GDT     T   137_A     T   137_A      6    8   26      5    6    7    8   10   12   14   16   18   23   25   25   26   29   33   37   40   41   44   48 
LCS_GDT     E   138_A     E   138_A      6    8   26      5    6    7    8   10   12   14   17   19   23   25   25   26   29   33   37   40   41   44   48 
LCS_GDT     E   139_A     E   139_A      6    8   26      5    6    7    8   10   12   14   17   19   23   25   25   26   29   33   37   40   41   44   48 
LCS_GDT     L   140_A     L   140_A      6    8   26      5    6    7    8   10   12   14   16   18   21   25   25   26   30   33   37   40   41   44   48 
LCS_GDT     T   141_A     T   141_A      6    8   26      3    6    7    8   10   12   14   16   18   23   25   25   26   30   33   37   40   41   44   48 
LCS_GDT     E   142_A     E   142_A      5    8   26      3    4    6    7    9   12   14   16   19   23   25   25   26   29   33   37   40   41   44   48 
LCS_GDT     M   143_A     M   143_A      5    8   26      3    4    6    7   10   12   16   18   21   22   23   24   26   30   33   37   40   41   44   48 
LCS_GDT     F   144_A     F   144_A      5    8   26      3    4    6    9   12   14   16   19   21   22   23   24   26   30   33   37   40   41   44   48 
LCS_GDT     Y   145_A     Y   145_A      3    8   26      3    4    6    9   12   14   18   20   21   23   25   25   26   30   33   37   40   41   44   48 
LCS_GDT     E   146_A     E   146_A      3    8   26      3    4    6    6   10   16   19   20   21   22   23   24   25   29   31   34   39   41   44   48 
LCS_GDT     L   147_A     L   147_A      6    9   26      3    4    7    8    8   12   17   19   20   21   22   24   25   27   30   33   38   41   44   48 
LCS_GDT     G   148_A     G   148_A      6    9   26      3    5    7    8    8    9   10   11   18   21   22   24   25   27   30   33   39   41   44   48 
LCS_GDT     R   149_A     R   149_A      6    9   26      4    5    7    8    9   12   13   16   17   19   22   24   25   27   30   34   39   40   44   46 
LCS_GDT     F   150_A     F   150_A      6    9   26      4    5    7    8    9   11   13   16   17   19   22   23   25   27   30   34   39   40   44   48 
LCS_GDT     V   151_A     V   151_A      6    9   26      4    5    7    8    8    9   10   13   16   19   21   23   25   27   29   33   39   40   44   48 
LCS_GDT     V   152_A     V   152_A      6    9   26      4    5    7    8    8    9   10   10   11   17   17   18   20   22   25   28   31   34   36   41 
LCS_GDT     D   153_A     D   153_A      4    9   15      3    4    5    5    7    8    9   10   11   17   17   18   20   22   23   25   28   29   31   35 
LCS_GDT     G   154_A     G   154_A      4    9   15      3    4    7    8    8    9   10   10   11   17   17   18   20   22   23   24   28   29   31   34 
LCS_GDT     T   155_A     T   155_A      4    9   15      3    3    5    8    8    9   10   10   11   17   17   18   20   22   24   25   28   29   31   34 
LCS_GDT     K   156_A     K   156_A      4    6   15      0    3    4    6    8    9   10   10   11   12   15   17   20   22   24   25   28   29   31   34 
LCS_GDT     G   157_A     G   157_A      3    6   15      3    3    3    4    5    7    9    9   11   15   16   18   20   22   25   28   31   34   36   38 
LCS_GDT     E   158_A     E   158_A      4    6   15      3    3    5    6    7    7    9    9   11   15   16   18   20   23   25   28   31   34   36   38 
LCS_GDT     Q   159_A     Q   159_A      4    6   15      3    3    5    6    7    7    9    9   11   15   16   18   20   23   25   28   35   35   37   39 
LCS_GDT     G   160_A     G   160_A      4    5   11      3    3    5    6    7    7    9   12   14   16   18   22   26   30   32   35   40   41   41   44 
LCS_GDT     G   161_A     G   161_A      4    5   11      3    3    5    6    7    9   12   12   15   17   20   22   26   30   33   37   40   41   41   44 
LCS_GDT     F   162_A     F   162_A      0    5   11      3    4    4    6    6   10   13   14   16   18   20   22   23   27   32   35   38   41   41   44 
LCS_AVERAGE  LCS_A:   7.06  (   3.41    4.95   12.83 )

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      8     11     14     16     17     18     19     20     21     23     25     25     26     30     33     37     40     41     44     48 
GDT PERCENT_AT   4.82   6.63   8.43   9.64  10.24  10.84  11.45  12.05  12.65  13.86  15.06  15.06  15.66  18.07  19.88  22.29  24.10  24.70  26.51  28.92
GDT RMS_LOCAL    0.23   0.57   0.88   1.06   1.21   1.37   1.62   2.11   2.48   3.48   3.75   3.75   4.01   5.02   5.32   5.66   5.93   6.07   7.00   7.35
GDT RMS_ALL_AT  28.74  27.37  26.31  25.70  25.35  25.12  24.51  24.07  23.73  25.41  24.82  24.82  24.39  20.05  21.19  20.91  20.65  20.54  26.24  27.12

# Checking swapping
#   possible swapping detected:  D    34_A      D    34_A
#   possible swapping detected:  Y    37_A      Y    37_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  E    62_A      E    62_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  E    94_A      E    94_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   138_A      E   138_A
#   possible swapping detected:  E   142_A      E   142_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D    31_A      D    31_A    10.866     3    0.177   0.245    11.924    0.000    0.000
LGA    H    32_A      H    32_A     9.632     0    0.171   1.075    14.150    0.238    0.095
LGA    A    33_A      A    33_A    13.824     0    0.163   0.159    16.186    0.000    0.000
LGA    D    34_A      D    34_A    15.014     0    0.132   1.102    16.937    0.000    0.000
LGA    A    35_A      A    35_A    12.299     0    0.661   0.606    15.851    0.000    0.000
LGA    A    36_A      A    36_A    14.330     0    0.549   0.578    15.665    0.000    0.000
LGA    Y    37_A      Y    37_A    16.054     0    0.073   1.489    25.077    0.000    0.000
LGA    V    38_A      V    38_A    13.216     0    0.049   1.323    14.587    0.000    0.000
LGA    E    39_A      E    39_A    14.883     0    0.058   1.295    17.444    0.000    0.000
LGA    K    40_A      K    40_A    18.680     0    0.157   0.624    21.263    0.000    0.000
LGA    H    41_A      H    41_A    18.764     0    0.293   1.293    18.823    0.000    0.000
LGA    N    42_A      N    42_A    17.765     0    0.317   1.158    18.822    0.000    0.000
LGA    L    43_A      L    43_A    18.648     0    0.168   1.399    22.177    0.000    0.000
LGA    Q    44_A      Q    44_A    21.549     0    0.051   1.525    24.063    0.000    0.000
LGA    C    45_A      C    45_A    22.428     0    0.034   0.825    23.538    0.000    0.000
LGA    L    46_A      L    46_A    20.435     0    0.051   1.375    23.018    0.000    0.000
LGA    F    47_A      F    47_A    22.398     0    0.624   0.669    24.554    0.000    0.000
LGA    S    48_A      S    48_A    27.706     0    0.550   0.515    31.792    0.000    0.000
LGA    E    49_A      E    49_A    32.624     0    0.083   0.968    34.501    0.000    0.000
LGA    M    50_A      M    50_A    29.818     0    0.574   0.963    30.150    0.000    0.000
LGA    A    51_A      A    51_A    29.140     0    0.133   0.172    30.457    0.000    0.000
LGA    E    52_A      E    52_A    33.780     0    0.031   0.693    42.427    0.000    0.000
LGA    Q    53_A      Q    53_A    30.379     0    0.485   1.118    33.608    0.000    0.000
LGA    L    54_A      L    54_A    26.281     0    0.111   0.975    27.643    0.000    0.000
LGA    S    55_A      S    55_A    27.576     0    0.624   0.962    30.347    0.000    0.000
LGA    E    56_A      E    56_A    28.309     0    0.158   0.520    28.661    0.000    0.000
LGA    K    57_A      K    57_A    26.405     0    0.342   1.197    30.576    0.000    0.000
LGA    D    58_A      D    58_A    22.359     0    0.041   0.905    26.097    0.000    0.000
LGA    P    59_A      P    59_A    17.132     0    0.656   0.573    18.937    0.000    0.000
LGA    K    60_A      K    60_A    16.026     0    0.073   0.974    25.495    0.000    0.000
LGA    T    61_A      T    61_A    12.490     0    0.648   0.872    14.102    0.476    0.272
LGA    E    62_A      E    62_A     6.592     0    0.601   1.055     8.623   22.619   15.767
LGA    Q    63_A      Q    63_A     2.764     0    0.615   0.755     8.656   61.190   36.772
LGA    E    64_A      E    64_A     1.993     0    0.080   0.790     3.974   77.381   67.143
LGA    A    65_A      A    65_A     0.840     0    0.052   0.068     1.415   88.214   86.857
LGA    E    66_A      E    66_A     1.626     0    0.088   0.871     3.185   81.548   72.434
LGA    R    67_A      R    67_A     0.667     0    0.111   1.157     5.253   92.857   63.463
LGA    I    68_A      I    68_A     1.074     0    0.056   0.171     1.808   83.929   82.738
LGA    L    69_A      L    69_A     1.602     0    0.057   0.109     2.223   75.000   71.905
LGA    L    70_A      L    70_A     1.208     0    0.051   0.203     1.501   81.429   81.488
LGA    E    71_A      E    71_A     1.196     0    0.066   0.770     3.110   81.429   70.688
LGA    F    72_A      F    72_A     1.297     0    0.079   0.180     1.885   81.429   76.753
LGA    L    73_A      L    73_A     1.443     0    0.062   1.036     3.332   81.429   74.345
LGA    T    74_A      T    74_A     1.351     0    0.109   1.177     3.474   79.286   74.490
LGA    H    75_A      H    75_A     0.465     0    0.139   1.045     4.149   95.238   75.571
LGA    R    76_A      R    76_A     1.578     0    0.053   1.609    11.052   75.000   41.299
LGA    K    77_A      K    77_A     2.481     0    0.076   0.417     6.067   68.810   48.889
LGA    A    78_A      A    78_A     1.610     0    0.034   0.057     2.004   72.857   71.238
LGA    E    79_A      E    79_A     2.112     0    0.566   0.879     5.623   71.310   53.598
LGA    R    80_A      R    80_A     1.506     0    0.538   1.272    11.203   53.214   33.333
LGA    D    81_A      D    81_A     8.056     0    0.562   0.871    11.694    7.857    4.286
LGA    R    82_A      R    82_A    11.609     0    0.629   1.515    13.382    0.119    0.043
LGA    A    83_A      A    83_A    13.439     0    0.580   0.595    16.713    0.000    0.000
LGA    A    84_A      A    84_A    19.077     0    0.655   0.611    22.827    0.000    0.000
LGA    L    85_A      L    85_A    24.506     0    0.605   0.625    27.853    0.000    0.000
LGA    R    86_A      R    86_A    27.999     0    0.635   0.862    30.383    0.000    0.000
LGA    L    87_A      L    87_A    30.717     0    0.579   0.864    32.594    0.000    0.000
LGA    Q    88_A      Q    88_A    36.604     0    0.648   1.251    41.082    0.000    0.000
LGA    F    89_A      F    89_A    39.981     0    0.068   1.241    41.412    0.000    0.000
LGA    S    90_A      S    90_A    42.489     0    0.205   0.213    45.152    0.000    0.000
LGA    H    91_A      H    91_A    43.989     0    0.072   0.222    52.206    0.000    0.000
LGA    S    92_A      S    92_A    39.889     0    0.589   0.964    42.474    0.000    0.000
LGA    F    93_A      F    93_A    34.004     0    0.615   1.488    36.076    0.000    0.000
LGA    E    94_A      E    94_A    35.356     0    0.607   1.255    42.268    0.000    0.000
LGA    V    95_A      V    95_A    33.066     0    0.047   1.114    34.534    0.000    0.000
LGA    N    96_A      N    96_A    33.775     0    0.279   0.648    35.978    0.000    0.000
LGA    L    97_A      L    97_A    33.636     0    0.091   1.032    33.636    0.000    0.000
LGA    D    98_A      D    98_A    33.645     0    0.363   1.004    37.843    0.000    0.000
LGA    N    99_A      N    99_A    38.317     0    0.261   1.024    39.240    0.000    0.000
LGA    G   100_A      G   100_A    41.244     0    0.613   0.613    41.964    0.000    0.000
LGA    R   101_A      R   101_A    38.449     0    0.681   1.591    42.702    0.000    0.000
LGA    K   102_A      K   102_A    32.093     0    0.604   1.108    34.328    0.000    0.000
LGA    I   103_A      I   103_A    29.410     0    0.139   0.758    31.530    0.000    0.000
LGA    M   104_A      M   104_A    27.309     0    0.102   1.038    28.594    0.000    0.000
LGA    R   105_A      R   105_A    31.546     0    0.256   1.074    39.226    0.000    0.000
LGA    L   106_A      L   106_A    31.746     0    0.547   1.313    32.269    0.000    0.000
LGA    Q   107_A      Q   107_A    34.033     0    0.525   1.613    36.214    0.000    0.000
LGA    L   108_A      L   108_A    34.921     0    0.682   1.145    36.991    0.000    0.000
LGA    G   109_A      G   109_A    37.406     0    0.579   0.579    37.406    0.000    0.000
LGA    Q   110_A      Q   110_A    34.157     0    0.123   0.789    36.288    0.000    0.000
LGA    E   111_A      E   111_A    32.377     0    0.054   1.095    35.066    0.000    0.000
LGA    T   112_A      T   112_A    32.341     0    0.566   1.033    36.188    0.000    0.000
LGA    S   113_A      S   113_A    30.068     0    0.493   0.593    30.586    0.000    0.000
LGA    T   114_A      T   114_A    28.759     0    0.050   0.979    30.101    0.000    0.000
LGA    L   115_A      L   115_A    25.768     0    0.075   0.187    26.680    0.000    0.000
LGA    Q   116_A      Q   116_A    27.470     0    0.075   1.179    33.758    0.000    0.000
LGA    L   117_A      L   117_A    22.526     0    0.644   0.584    24.377    0.000    0.000
LGA    E   118_A      E   118_A    26.456     0    0.039   1.356    34.330    0.000    0.000
LGA    Q   119_A      Q   119_A    25.988     0    0.158   0.301    27.050    0.000    0.000
LGA    K   120_A      K   120_A    29.369     0    0.516   0.996    33.179    0.000    0.000
LGA    G   121_A      G   121_A    25.179     0    0.072   0.072    26.351    0.000    0.000
LGA    R   122_A      R   122_A    23.733     0    0.632   1.086    24.887    0.000    0.000
LGA    V   123_A      V   123_A    21.751     0    0.667   0.801    22.153    0.000    0.000
LGA    L   124_A      L   124_A    20.116     0    0.215   0.206    22.130    0.000    0.000
LGA    K   125_A      K   125_A    25.079     0    0.080   1.003    34.585    0.000    0.000
LGA    M   126_A      M   126_A    23.647     0    0.301   1.145    25.774    0.000    0.000
LGA    D   127_A      D   127_A    27.560     0    0.106   0.523    32.346    0.000    0.000
LGA    E   128_A      E   128_A    28.989     0    0.682   1.149    29.588    0.000    0.000
LGA    A   129_A      A   129_A    31.531     0    0.689   0.635    32.898    0.000    0.000
LGA    F   130_A      F   130_A    28.735     0    0.694   1.427    29.669    0.000    0.000
LGA    S   131_A      S   131_A    32.132     0    0.663   0.847    36.762    0.000    0.000
LGA    I   132_A      I   132_A    32.110     0    0.588   1.089    33.572    0.000    0.000
LGA    S   133_A      S   133_A    31.279     0    0.032   0.045    31.279    0.000    0.000
LGA    L   134_A      L   134_A    30.627     0    0.634   0.902    36.363    0.000    0.000
LGA    E   135_A      E   135_A    25.573     0    0.649   1.450    27.748    0.000    0.000
LGA    Q   136_A      Q   136_A    19.619     0    0.616   0.967    21.534    0.000    0.000
LGA    T   137_A      T   137_A    20.850     0    0.094   1.115    24.346    0.000    0.000
LGA    E   138_A      E   138_A    18.689     0    0.045   0.695    24.154    0.000    0.000
LGA    E   139_A      E   139_A    14.396     0    0.056   0.648    16.405    0.000    0.000
LGA    L   140_A      L   140_A    14.146     0    0.079   1.389    16.757    0.000    0.000
LGA    T   141_A      T   141_A    15.998     0    0.042   0.944    19.599    0.000    0.000
LGA    E   142_A      E   142_A    13.359     0    0.091   0.954    18.931    0.119    0.053
LGA    M   143_A      M   143_A     6.497     0    0.588   1.268     9.093   14.286   14.940
LGA    F   144_A      F   144_A     6.622     0    0.557   1.472    14.498   20.595    7.619
LGA    Y   145_A      Y   145_A     5.505     0    0.356   0.499    17.288   31.310   11.310
LGA    E   146_A      E   146_A     3.602     0    0.621   1.435     9.864   42.262   24.921
LGA    L   147_A      L   147_A     7.582     0    0.117   0.864    13.813    7.976    4.167
LGA    G   148_A      G   148_A    11.464     0    0.118   0.118    14.094    0.357    0.357
LGA    R   149_A      R   149_A    13.491     0    0.153   1.492    17.883    0.000    0.000
LGA    F   150_A      F   150_A    14.078     0    0.418   0.485    15.670    0.000    0.000
LGA    V   151_A      V   151_A    15.640     0    0.605   0.551    16.966    0.000    0.000
LGA    V   152_A      V   152_A    20.382     0    0.134   0.223    23.991    0.000    0.000
LGA    D   153_A      D   153_A    25.007     0    0.652   1.583    26.234    0.000    0.000
LGA    G   154_A      G   154_A    27.969     0    0.197   0.197    28.761    0.000    0.000
LGA    T   155_A      T   155_A    28.356     0    0.709   0.613    29.820    0.000    0.000
LGA    K   156_A      K   156_A    30.038     0    0.135   0.949    39.200    0.000    0.000
LGA    G   157_A      G   157_A    26.330     0    0.635   0.635    27.928    0.000    0.000
LGA    E   158_A      E   158_A    26.283     0    0.707   1.154    29.017    0.000    0.000
LGA    Q   159_A      Q   159_A    23.689     0    0.127   1.140    24.809    0.000    0.000
LGA    G   160_A      G   160_A    19.863     0    0.655   0.655    21.057    0.000    0.000
LGA    G   161_A      G   161_A    20.348     0    0.640   0.640    22.237    0.000    0.000
LGA    F   162_A      F   162_A    26.358     0    0.464   1.366    32.149    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1069   1069  100.00               166
SUMMARY(RMSD_GDC):    17.143         16.983                 17.742            9.336    7.632

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  166    4.0     20    2.11    12.651    10.467     0.905

LGA_LOCAL      RMSD:   2.110  Number of atoms:   20  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.072  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  17.143  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.848367 * X  +   0.253467 * Y  +   0.464787 * Z  +  -1.212296
  Y_new =  -0.499094 * X  +  -0.090100 * Y  +  -0.861851 * Z  + 152.111679
  Z_new =  -0.176573 * X  +  -0.963139 * Y  +   0.202942 * Z  +  76.999985 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.609821  0.177504 -1.363125   [DEG: -149.5317   10.1702  -78.1013 ]
ZXZ:  0.494583  1.366435 -2.960275   [DEG:   28.3375   78.2910 -169.6113 ]
 
# END of job
