
#######################################################
#                                                     #
#                        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  243 ( 1952),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1756),  selected  222 , 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:    34      41_A - 74_A        4.97    22.70
  LCS_AVERAGE:     12.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19     111_A - 129_A       1.95    19.39
  LONGEST_CONTINUOUS_SEGMENT:    19     150_A - 168_A       1.93    25.59
  LCS_AVERAGE:      5.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    11     117_A - 127_A       0.94    19.38
  LCS_AVERAGE:      2.54

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
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     G    22_A     G    22_A      4    4   22      3    4    4    4    6   12   15   22   27   33   40   47   51   55   60   65   70   74   79   84 
LCS_GDT     S    23_A     S    23_A      4    4   22      3    4    5    8   13   16   18   24   28   34   40   47   51   55   61   65   72   74   79   84 
LCS_GDT     F    24_A     F    24_A      4    4   22      3    4    4    5    9   14   18   24   30   34   42   47   52   56   61   65   72   74   79   84 
LCS_GDT     Q    25_A     Q    25_A      4   11   22      3    4    4    5   13   16   18   24   28   34   40   47   51   55   61   65   72   74   79   84 
LCS_GDT     Y    26_A     Y    26_A      6   11   22      4    4    6    9   13   13   17   22   28   34   40   47   51   60   67   73   77   81   85   94 
LCS_GDT     M    27_A     M    27_A      6   11   22      4    4    8   10   13   16   18   24   32   35   42   51   58   64   71   74   81   86   93   97 
LCS_GDT     K    28_A     K    28_A      8   11   22      4    4    8   10   13   20   23   31   37   44   48   51   58   64   71   74   81   86   93   97 
LCS_GDT     D    29_A     D    29_A      8   11   22      4    6    8   10   13   20   25   31   37   44   48   50   56   62   71   74   81   85   93   97 
LCS_GDT     L    30_A     L    30_A      8   11   22      3    6    8   10   16   22   26   30   37   44   48   51   58   65   72   77   82   87   93   97 
LCS_GDT     N    31_A     N    31_A      8   11   22      4    6    8   10   17   21   26   30   36   44   48   52   60   65   72   77   82   87   93   97 
LCS_GDT     K    32_A     K    32_A      8   11   22      4    6   10   16   22   24   25   28   32   40   46   54   60   65   72   77   82   87   93   97 
LCS_GDT     H    33_A     H    33_A      8   11   22      4    6    8   10   13   17   21   27   34   40   46   52   58   64   71   76   82   86   93   97 
LCS_GDT     I    34_A     I    34_A      8   11   22      4    4    7   10   13   16   21   27   34   40   46   54   58   64   71   74   81   85   93   97 
LCS_GDT     P    35_A     P    35_A      8   11   22      4    6    8   10   13   16   21   29   38   42   47   54   58   64   68   74   81   85   93   94 
LCS_GDT     F    36_A     F    36_A      5   11   22      4    5    7   13   15   21   25   32   38   42   47   54   58   64   71   74   81   85   93   96 
LCS_GDT     Y    37_A     Y    37_A      5    7   22      4    5    7   11   15   18   22   29   34   40   47   54   58   64   71   74   81   85   93   94 
LCS_GDT     H    38_A     H    38_A      5    7   22      4    5    7    9   12   18   25   29   34   40   47   54   58   64   71   74   81   85   93   94 
LCS_GDT     I    39_A     I    39_A      5    7   22      4    5    7    9   13   18   25   29   34   40   46   54   58   64   71   74   81   85   93   94 
LCS_GDT     E    40_A     E    40_A      4    7   22      3    3    6    9   16   17   24   27   34   40   47   54   58   64   71   74   81   85   93   94 
LCS_GDT     D    41_A     D    41_A      3    5   34      3    3    6    9   19   24   26   28   32   37   41   45   47   51   62   71   77   81   85   90 
LCS_GDT     S    42_A     S    42_A      3    5   34      3    3    8   14   16   23   26   28   32   37   46   51   58   62   67   73   77   81   85   87 
LCS_GDT     K    43_A     K    43_A      3    5   34      3    4    8   14   18   24   26   28   32   37   46   51   58   62   67   73   76   81   85   87 
LCS_GDT     F    44_A     F    44_A      3    4   34      3    5    8   14   19   24   26   28   33   37   46   49   58   64   68   73   77   81   85   90 
LCS_GDT     K    45_A     K    45_A      4   10   34      3    4    6    9   14   20   26   31   37   40   45   51   58   62   67   73   77   81   85   87 
LCS_GDT     H    46_A     H    46_A      4   10   34      3    5   10   13   17   25   29   31   37   40   43   48   50   54   66   68   74   76   79   87 
LCS_GDT     Y    47_A     Y    47_A      4   10   34      3    5    7   14   19   25   29   31   38   41   46   51   58   62   67   73   77   81   85   87 
LCS_GDT     G    48_A     G    48_A      4   10   34      3    7   10   14   19   24   29   32   38   41   46   52   58   64   68   73   77   82   85   90 
LCS_GDT     K    49_A     K    49_A      5   10   34      3    5    8   14   19   24   29   32   38   41   47   52   58   64   71   74   78   82   93   94 
LCS_GDT     V    50_A     V    50_A      5   10   34      4    6   10   14   19   25   29   31   38   41   47   54   58   62   71   74   81   85   93   94 
LCS_GDT     I    51_A     I    51_A      5   10   34      4    7   10   14   19   25   30   34   38   41   47   54   59   63   71   76   82   87   93   96 
LCS_GDT     N    52_A     N    52_A      5   10   34      4    7   10   14   19   25   30   34   38   42   47   51   60   65   72   77   82   87   93   97 
LCS_GDT     E    53_A     E    53_A      5   10   34      4    7   10   14   19   24   26   32   38   42   46   52   60   65   72   77   82   87   91   97 
LCS_GDT     Y    54_A     Y    54_A      5   10   34      1    4   10   14   19   24   27   32   38   41   47   52   58   65   72   77   82   87   91   97 
LCS_GDT     D    55_A     D    55_A      3    9   34      1    3    6   12   19   25   29   32   38   41   43   48   54   60   67   73   79   86   90   97 
LCS_GDT     F    56_A     F    56_A      5   18   34      3    5   10   18   20   25   28   32   38   41   43   49   55   60   64   70   77   83   87   94 
LCS_GDT     N    57_A     N    57_A      5   18   34      3    5    8   18   20   25   29   32   38   41   43   49   55   58   62   67   75   79   84   91 
LCS_GDT     E    58_A     E    58_A      5   18   34      3    7   12   18   20   25   29   32   38   41   43   49   55   58   62   70   72   77   84   91 
LCS_GDT     L    59_A     L    59_A      5   18   34      3    7   12   18   20   25   29   32   38   41   43   50   55   59   65   70   72   77   84   91 
LCS_GDT     E    60_A     E    60_A      5   18   34      1    5    8   18   20   25   29   32   38   41   43   50   55   59   65   70   72   76   82   88 
LCS_GDT     T    61_A     T    61_A      3   18   34      3    7   12   18   20   25   29   32   38   41   43   50   55   59   65   70   72   76   80   84 
LCS_GDT     Y    62_A     Y    62_A      3   18   34      3    4    9   12   17   24   28   31   38   44   48   49   53   59   65   70   72   76   79   84 
LCS_GDT     M    63_A     M    63_A      9   18   34      5    7   12   18   20   25   29   32   38   44   48   49   53   57   65   65   72   76   79   84 
LCS_GDT     D    64_A     D    64_A      9   18   34      5    7   12   18   20   25   27   32   38   44   48   49   53   57   65   65   71   76   79   84 
LCS_GDT     S    65_A     S    65_A      9   18   34      5    7   12   18   20   25   27   32   38   44   48   49   53   57   61   65   71   76   79   84 
LCS_GDT     L    66_A     L    66_A      9   18   34      5    7   12   18   20   25   29   32   38   41   43   48   50   55   61   65   72   76   79   84 
LCS_GDT     T    67_A     T    67_A      9   18   34      5    7   12   18   20   25   27   32   38   41   43   48   50   54   61   65   72   73   79   83 
LCS_GDT     I    68_A     I    68_A      9   18   34      3    7   12   18   20   25   29   32   38   41   43   48   51   55   60   64   70   73   78   84 
LCS_GDT     P    69_A     P    69_A      9   18   34      4    7   12   18   20   25   29   32   38   41   43   48   50   55   58   64   70   74   79   84 
LCS_GDT     Q    70_A     Q    70_A      9   18   34      4    7   12   18   20   25   29   32   38   41   43   48   50   54   57   60   70   74   79   84 
LCS_GDT     D    71_A     D    71_A      9   18   34      4    7   12   18   20   25   29   32   38   41   43   48   50   54   57   59   70   74   79   84 
LCS_GDT     Q    72_A     Q    72_A      9   18   34      4    5   10   18   20   25   29   32   38   41   43   48   50   54   57   59   66   74   79   84 
LCS_GDT     N    73_A     N    73_A      9   18   34      4    5   10   18   20   25   29   32   38   41   43   48   50   54   57   61   66   74   81   85 
LCS_GDT     V    74_A     V    74_A      4   12   34      3    4    6    9   13   21   25   26   30   33   39   43   47   49   54   58   62   74   79   84 
LCS_GDT     Y    75_A     Y    75_A      4    6   33      3    6    7   10   12   19   23   27   29   33   36   40   44   48   53   58   63   74   79   84 
LCS_GDT     V    76_A     V    76_A      4    6   32      3    4    5    8    9   17   22   27   29   32   35   40   47   53   57   59   65   74   79   84 
LCS_GDT     A    77_A     A    77_A      4    6   25      3    4    5    7    9   13   15   18   23   30   36   41   47   53   57   60   70   74   79   84 
LCS_GDT     S    78_A     S    78_A      4    6   25      3    4    5    6    9   13   17   18   24   30   35   39   44   48   53   59   70   74   79   84 
LCS_GDT     V    79_A     V    79_A      6    8   25      4    5    8   11   14   14   18   22   29   33   40   47   51   55   60   64   72   74   79   84 
LCS_GDT     T    80_A     T    80_A      6    8   25      4    5    8   12   14   14   18   22   26   35   40   47   51   55   60   64   72   74   79   84 
LCS_GDT     E    81_A     E    81_A      6    8   25      4    5    8   11   14   17   19   25   31   35   40   47   51   55   61   65   72   74   79   84 
LCS_GDT     M    82_A     M    82_A      6    8   25      4    5    8   12   15   19   23   26   36   44   48   49   53   56   61   65   72   76   79   84 
LCS_GDT     E    83_A     E    83_A      6    8   25      4    5    8   11   14   15   20   26   28   33   40   47   51   56   61   65   72   75   79   84 
LCS_GDT     N    84_A     N    84_A      6    8   25      4    4    8   11   14   19   26   31   37   44   48   49   53   56   61   65   72   76   79   84 
LCS_GDT     T    85_A     T    85_A      5    8   25      3    4    5   10   14   21   26   31   36   44   48   50   54   59   65   70   72   76   79   84 
LCS_GDT     I    86_A     I    86_A      5    8   25      3    4    8   14   16   21   26   28   32   37   43   50   55   59   65   70   72   76   81   88 
LCS_GDT     I    87_A     I    87_A      5    8   25      3    4    5   12   16   21   26   28   32   37   43   50   55   59   65   70   72   77   84   91 
LCS_GDT     K    88_A     K    88_A      5    5   25      3    6    8   11   14   20   26   30   35   44   48   50   55   59   65   70   72   77   84   91 
LCS_GDT     N    89_A     N    89_A      3    4   25      3    3    7   14   19   24   26   31   33   37   43   50   55   59   65   70   76   80   86   93 
LCS_GDT     Q    90_A     Q    90_A      3    4   25      3    4    8   14   19   24   26   27   34   37   40   44   52   60   67   74   79   86   90   97 
LCS_GDT     L    91_A     L    91_A      3    4   25      3    3    8   12   19   24   26   31   34   37   40   49   55   60   68   74   79   86   91   97 
LCS_GDT     Q    92_A     Q    92_A      3    4   25      3    3    5   11   19   24   26   31   34   37   43   50   55   64   70   75   79   87   91   97 
LCS_GDT     E    93_A     E    93_A      3    4   25      3    3    5   14   16   17   26   32   38   42   47   52   58   65   72   77   82   87   91   97 
LCS_GDT     A    94_A     A    94_A      3    4   25      3    3    5    7   16   17   21   25   36   42   43   52   60   65   72   77   82   87   93   97 
LCS_GDT     F    95_A     F    95_A      4    5   28      3    3    6   13   17   21   25   32   38   42   46   52   60   65   72   77   82   87   93   97 
LCS_GDT     Y    96_A     Y    96_A      4   10   28      3    6    8   16   22   24   26   32   38   42   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     G    97_A     G    97_A      4   10   28      3    5    9   13   17   23   26   29   35   39   43   51   60   62   69   77   82   87   93   96 
LCS_GDT     E    98_A     E    98_A      7   10   28      3    6    9   13   22   24   25   32   38   44   48   52   60   65   72   77   82   87   93   97 
LCS_GDT     M    99_A     M    99_A      7   12   28      4    6   10   11   22   24   26   32   38   44   48   52   60   65   72   77   82   87   93   97 
LCS_GDT     S   100_A     S   100_A      7   12   28      4    6    8   14   16   24   26   32   38   44   48   52   58   65   72   77   82   87   93   97 
LCS_GDT     I   101_A     I   101_A      7   12   28      4    6    8   11   16   20   25   28   36   44   48   49   54   65   70   75   82   87   91   97 
LCS_GDT     Q   102_A     Q   102_A      7   12   28      4    6    9   12   14   21   26   26   32   36   41   45   49   54   60   67   77   83   89   97 
LCS_GDT     I   103_A     I   103_A      7   12   28      4    6    9   12   14   17   22   27   31   36   39   47   50   54   61   65   72   77   84   91 
LCS_GDT     G   104_A     G   104_A      7   12   28      3    6    8   12   14   18   22   26   31   34   38   41   49   53   58   63   72   76   81   88 
LCS_GDT     Y   105_A     Y   105_A      5   12   28      3    4    9   12   20   23   27   31   37   41   43   47   51   55   61   65   72   76   81   86 
LCS_GDT     C   106_A     C   106_A      5   12   28      3    4    7   12   19   25   29   32   38   41   43   48   51   57   61   66   72   78   82   91 
LCS_GDT     N   107_A     N   107_A      5   12   28      3    5    9   12   15   20   26   31   37   40   43   48   51   57   61   65   72   76   81   86 
LCS_GDT     G   108_A     G   108_A      5   12   28      3    4    9   12   14   19   22   27   31   35   42   47   51   57   61   66   72   78   82   88 
LCS_GDT     P   109_A     P   109_A      5   12   28      3    4    9   12   14   17   24   27   32   35   40   47   51   57   61   66   72   78   82   88 
LCS_GDT     N   110_A     N   110_A      4   12   28      3    4    7   12   12   17   21   27   31   34   40   47   51   55   60   66   71   78   82   88 
LCS_GDT     S   111_A     S   111_A      4   19   28      3    3    9   17   22   27   30   34   38   40   44   48   54   60   67   72   77   83   89   92 
LCS_GDT     T   112_A     T   112_A      4   19   28      3    5   12   21   23   28   30   34   38   41   47   51   57   64   70   77   82   87   91   97 
LCS_GDT     L   113_A     L   113_A      5   19   28      3    6    7   12   20   24   30   34   38   40   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     N   114_A     N   114_A      5   19   28      3    5   13   17   22   28   30   34   38   41   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     G   115_A     G   115_A      5   19   28      3    5   13   17   23   28   30   32   38   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     L   116_A     L   116_A      5   19   28      3    5   12   21   23   28   30   34   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     E   117_A     E   117_A     11   19   28      3    8   14   21   23   28   30   32   38   42   47   54   58   64   71   76   82   87   93   97 
LCS_GDT     Y   118_A     Y   118_A     11   19   28      3    8   14   21   23   28   30   32   36   42   45   51   58   62   68   73   77   82   85   94 
LCS_GDT     H   119_A     H   119_A     11   19   28      3    8   14   21   23   28   30   32   36   39   44   49   58   64   68   73   77   82   85   90 
LCS_GDT     K   120_A     K   120_A     11   19   28      7   10   14   21   23   28   30   32   36   39   44   50   58   62   67   73   77   81   85   89 
LCS_GDT     S   121_A     S   121_A     11   19   28      7   10   14   21   23   28   30   32   37   44   48   52   58   64   68   73   78   82   85   90 
LCS_GDT     S   122_A     S   122_A     11   19   28      3    6   13   21   23   28   30   32   37   44   48   52   58   64   71   74   79   85   93   94 
LCS_GDT     E   123_A     E   123_A     11   19   28      7   10   14   21   23   28   30   32   38   44   48   54   60   64   72   77   82   87   93   97 
LCS_GDT     I   124_A     I   124_A     11   19   27      7   10   14   21   23   28   30   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     N   125_A     N   125_A     11   19   25      7   10   14   21   23   28   30   32   38   42   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     I   126_A     I   126_A     11   19   25      5    8   13   20   22   28   30   32   38   41   47   52   60   65   72   77   82   87   91   97 
LCS_GDT     A   127_A     A   127_A     11   19   25      7   10   14   21   23   28   30   32   38   40   47   52   58   65   72   77   82   87   91   97 
LCS_GDT     I   128_A     I   128_A      6   19   25      3    4   10   15   21   23   27   31   34   38   43   50   55   60   67   70   79   86   89   94 
LCS_GDT     T   129_A     T   129_A      6   19   25      3    5   13   20   22   28   30   34   38   40   44   50   55   60   67   70   79   86   89   92 
LCS_GDT     D   130_A     D   130_A      6   17   25      3    5   10   13   19   23   30   34   38   40   44   51   57   64   70   75   81   87   91   97 
LCS_GDT     M   131_A     M   131_A      7   17   25      4    7   12   15   19   24   30   34   38   41   47   52   60   65   72   77   82   87   91   97 
LCS_GDT     V   132_A     V   132_A      7   17   25      4    7   12   16   22   24   25   31   35   41   48   52   60   65   72   77   82   87   93   97 
LCS_GDT     L   133_A     L   133_A      7   17   25      4    7   12   15   21   24   26   32   38   44   48   54   60   65   72   77   82   87   93   97 
LCS_GDT     L   134_A     L   134_A      7   17   25      3    5    8   15   19   23   26   32   38   44   48   54   58   64   71   74   81   85   93   97 
LCS_GDT     L   135_A     L   135_A      7   17   24      4    7   12   15   19   25   29   31   38   44   48   51   58   62   68   73   77   81   90   94 
LCS_GDT     G   136_A     G   136_A      7   17   23      3    7   12   15   19   25   29   31   38   44   48   51   56   59   65   70   72   76   81   85 
LCS_GDT     K   137_A     K   137_A      7   17   23      3    6   12   15   19   23   26   31   37   44   48   50   55   59   65   70   72   76   79   84 
LCS_GDT     V   138_A     V   138_A      3   11   23      3    3    6    6   11   17   22   31   38   40   44   50   55   58   62   70   72   76   79   84 
LCS_GDT     Q   139_A     Q   139_A      0    5   23      0    1    1    4    7    9   12   18   20   27   36   38   46   51   56   60   64   72   79   83 
LCS_GDT     E   140_A     E   140_A      0    5   18      0    1    4    4    8    9   15   18   25   29   36   41   48   56   62   71   76   79   85   89 
LCS_GDT     V   141_A     V   141_A      3    5   18      0    3    4    6   11   17   20   26   33   40   47   52   58   62   71   74   79   85   93   94 
LCS_GDT     E   142_A     E   142_A      3    5   18      1    3    4    4   12   16   20   26   33   40   47   54   58   62   71   74   81   85   93   94 
LCS_GDT     N   143_A     N   143_A      3    5   18      1    3    4    7    9   15   18   23   33   40   47   51   58   62   65   70   79   85   93   94 
LCS_GDT     N   144_A     N   144_A      3    6   18      0    3    6    6    9   13   17   21   32   39   47   51   58   62   65   74   81   85   93   96 
LCS_GDT     V   145_A     V   145_A      3    6   18      1    3    6    7   11   15   20   26   33   40   47   54   58   63   70   76   82   87   93   97 
LCS_GDT     F   146_A     F   146_A      3    6   25      0    3    6    7   22   24   26   32   38   42   46   51   57   61   65   74   79   83   90   97 
LCS_GDT     H   147_A     H   147_A      3    6   25      1    3    6   10   12   16   26   32   38   42   45   51   56   59   64   69   75   81   88   96 
LCS_GDT     S   148_A     S   148_A      3    8   25      1    4    9   13   15   19   26   32   38   42   46   51   56   61   65   70   75   83   88   96 
LCS_GDT     N   149_A     N   149_A      6    9   25      3    5   10   15   17   20   23   31   34   38   45   51   56   59   62   70   72   76   81   85 
LCS_GDT     D   150_A     D   150_A      6   19   25      3    7   11   15   18   23   26   31   36   38   43   50   55   59   65   70   72   76   79   84 
LCS_GDT     V   151_A     V   151_A      6   19   25      4    7   11   15   19   23   26   31   37   44   48   51   56   59   65   70   72   78   81   85 
LCS_GDT     I   152_A     I   152_A      6   19   25      4    6   12   16   18   22   25   31   37   44   48   51   57   62   67   73   76   81   85   92 
LCS_GDT     A   153_A     A   153_A      6   19   25      4    7   12   16   18   22   26   32   38   42   47   54   58   64   71   74   81   85   93   96 
LCS_GDT     F   154_A     F   154_A     10   19   25      4    7   12   16   18   22   26   32   38   42   46   54   58   64   71   74   81   85   93   96 
LCS_GDT     F   155_A     F   155_A     10   19   27      4    7   12   16   18   22   26   32   38   42   46   52   60   65   72   77   82   87   93   97 
LCS_GDT     V   156_A     V   156_A     10   19   28      4    7   12   16   22   24   25   32   38   42   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     P   157_A     P   157_A     10   19   28      4    7   12   16   22   24   26   31   35   41   47   52   60   65   72   77   82   87   91   97 
LCS_GDT     K   158_A     K   158_A     10   19   28      3    7   11   16   18   24   30   34   38   40   47   52   58   65   70   77   82   87   91   97 
LCS_GDT     G   159_A     G   159_A     10   19   28      4    7   12   21   23   28   30   34   38   40   47   52   58   65   72   77   82   87   91   97 
LCS_GDT     T   160_A     T   160_A     10   19   28      4    7   12   16   22   24   30   34   38   42   47   52   60   65   72   77   82   87   91   97 
LCS_GDT     A   161_A     A   161_A     10   19   28      4    7   12   16   22   25   30   34   38   42   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     V   162_A     V   162_A     10   19   28      4    7   12   16   19   25   30   34   38   42   47   54   60   63   72   77   82   87   93   97 
LCS_GDT     E   163_A     E   163_A     10   19   28      4    7   12   16   19   25   30   34   38   41   47   54   58   64   71   74   81   85   93   94 
LCS_GDT     L   164_A     L   164_A      8   19   28      3    7   12   16   18   25   30   34   38   40   47   52   58   64   71   74   79   85   93   94 
LCS_GDT     Y   165_A     Y   165_A      8   19   28      3    6   11   16   19   24   30   34   38   40   46   52   58   64   68   73   77   81   85   90 
LCS_GDT     S   166_A     S   166_A      8   19   28      3    7   12   16   18   24   26   34   38   44   48   49   54   62   67   71   76   81   85   87 
LCS_GDT     T   167_A     T   167_A      8   19   28      3    7   12   16   19   24   27   31   37   44   48   49   54   59   65   70   72   76   79   84 
LCS_GDT     T   168_A     T   168_A      4   19   28      3    3    8   15   19   24   27   31   38   44   48   51   56   60   67   71   76   80   85   87 
LCS_GDT     L   169_A     L   169_A      5   15   28      4    5    9   13   19   25   30   34   38   44   48   51   58   62   68   73   77   81   85   92 
LCS_GDT     H   170_A     H   170_A      5   15   28      2    5    9   13   18   25   30   34   38   44   48   54   58   64   71   75   82   87   93   97 
LCS_GDT     F   171_A     F   171_A      7   15   28      3   10   13   21   23   28   30   34   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     A   172_A     A   172_A      7   15   28      2    8   14   21   23   28   30   32   38   41   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     P   173_A     P   173_A      7   15   28      2    5   14   21   23   28   30   34   38   44   48   52   60   65   72   77   82   87   93   97 
LCS_GDT     C   174_A     C   174_A      7    9   28      3    5   14   21   23   28   30   34   38   44   48   52   60   65   72   77   82   87   91   97 
LCS_GDT     K   175_A     K   175_A      7    9   28      5   10   14   21   23   28   30   34   38   44   48   51   57   60   67   72   79   86   90   96 
LCS_GDT     V   176_A     V   176_A      7    9   28      7   10   14   21   23   28   30   34   38   44   48   50   55   60   67   72   79   86   89   92 
LCS_GDT     N   177_A     N   177_A      7   10   28      3   10   14   21   23   28   30   34   38   44   48   50   55   60   65   70   77   79   85   91 
LCS_GDT     N   178_A     N   178_A      5   10   28      3    6    9   16   22   25   30   34   38   44   48   49   54   59   65   66   72   78   82   88 
LCS_GDT     E   179_A     E   179_A      5   10   28      3    6    8   11   15   22   26   31   37   44   48   49   53   57   61   66   72   76   81   86 
LCS_GDT     G   180_A     G   180_A      5   10   28      3    4    7   11   15   19   21   27   35   44   48   49   53   57   61   66   72   76   81   86 
LCS_GDT     F   181_A     F   181_A      6   10   28      3    6    7   12   16   22   26   31   37   44   48   49   54   59   65   70   72   78   84   91 
LCS_GDT     K   182_A     K   182_A      7   10   28      3    5    7   12   16   22   26   31   37   44   48   50   55   59   65   70   75   79   84   91 
LCS_GDT     T   183_A     T   183_A      7   10   28      3    6   10   12   18   25   29   31   38   44   48   50   55   60   67   70   79   86   89   96 
LCS_GDT     I   184_A     I   184_A      7   10   27      3    6   10   18   20   25   27   32   37   44   48   50   55   60   67   70   79   86   89   97 
LCS_GDT     V   185_A     V   185_A      7   10   27      3    6   10   18   20   23   26   31   37   44   48   50   58   65   72   77   82   87   91   97 
LCS_GDT     I   186_A     I   186_A      7   10   28      3    6   10   12   16   22   26   31   37   44   48   52   60   65   72   77   82   87   93   97 
LCS_GDT     L   187_A     L   187_A      7   10   30      3    6   10   13   22   24   26   32   38   44   48   54   60   65   72   77   82   87   93   97 
LCS_GDT     P   188_A     P   188_A      7   10   30      3    6   10   16   22   24   26   32   38   44   48   54   60   65   72   77   82   87   93   97 
LCS_GDT     K   189_A     K   189_A      5    9   30      3    4   10   16   22   24   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     G   190_A     G   190_A      5    9   30      3    4   10   16   22   24   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     T   191_A     T   191_A      5    9   30      3    4   10   16   22   24   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     N   192_A     N   192_A      5    9   30      4    5    7   14   16   20   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     D   193_A     D   193_A      5    9   30      4    5    7   14   16   20   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     P   194_A     P   194_A      5    9   30      4    5    7   12   16   21   26   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     L   195_A     L   195_A      5    9   30      4    5    7   11   13   19   26   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     S   196_A     S   196_A      5    9   30      4    5    7   11   13   19   23   29   34   39   47   54   58   65   72   77   82   87   93   97 
LCS_GDT     T   197_A     T   197_A      3    9   30      3    3    6   10   12   16   23   29   35   40   47   54   58   65   72   77   82   87   93   97 
LCS_GDT     N   198_A     N   198_A      3    4   30      3    3    4    7   11   16   19   26   28   33   39   47   56   61   68   74   78   82   87   94 
LCS_GDT     I   199_A     I   199_A      3    3   30      3    4    7    9   12   14   20   27   34   40   46   54   58   64   71   74   81   85   93   97 
LCS_GDT     Q   200_A     Q   200_A      3    4   30      3    5    7   11   12   15   20   28   35   41   47   52   58   64   71   74   81   87   93   97 
LCS_GDT     K   201_A     K   201_A      3    4   30      3    3    3    5   12   15   18   22   28   32   43   49   58   64   71   74   78   82   85   91 
LCS_GDT     R   202_A     R   202_A      3    6   30      3    3    5    8   14   20   26   29   35   41   47   51   57   62   72   77   82   87   91   97 
LCS_GDT     T   203_A     T   203_A      3    6   30      3    4    6    6   13   14   19   24   31   38   42   51   57   62   69   77   82   87   91   97 
LCS_GDT     K   204_A     K   204_A      3    6   30      3    3    6    6   13   15   19   22   25   29   33   41   54   60   67   75   81   87   91   97 
LCS_GDT     E   205_A     E   205_A      3    6   30      3    3    4    5    9   13   14   18   20   25   31   41   54   64   72   77   82   87   91   97 
LCS_GDT     D   206_A     D   206_A      3    7   30      3    4    4    6   10   17   20   29   32   38   43   53   60   65   72   77   82   87   93   97 
LCS_GDT     E   207_A     E   207_A      3    7   30      2    3    6    9   13   19   26   29   35   40   47   53   58   64   71   75   82   87   93   97 
LCS_GDT     L   208_A     L   208_A      3    7   30      3    3    5    8   14   20   26   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     L   209_A     L   209_A      3    7   30      3    4    6    9   14   20   26   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     F   210_A     F   210_A      4   11   30      4    4    7   11   14   20   26   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     M   211_A     M   211_A      4   11   30      4    4    7   11   14   20   26   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     K   212_A     K   212_A      4   11   30      4    5    7   14   18   23   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     N   213_A     N   213_A      4   11   30      4    4   10   16   22   24   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     K   214_A     K   214_A      4   11   30      3    4   10   16   22   24   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     W   215_A     W   215_A      4   11   30      3    5   10   16   22   24   26   32   38   42   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     L   216_A     L   216_A      4   11   30      3    4    7   12   18   23   26   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     I   217_A     I   217_A      4   11   30      3    4    7   11   14   19   25   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     A   218_A     A   218_A      4   11   30      3    4    7   11   15   19   23   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     H   219_A     H   219_A      4   11   30      0    4    6   11   13   16   21   29   35   41   47   52   58   64   71   77   82   87   93   97 
LCS_GDT     P   220_A     P   220_A      3   11   30      3    3    7   11   13   20   26   29   35   41   47   52   58   64   71   74   81   85   93   94 
LCS_GDT     E   221_A     E   221_A      5    8   30      3    4    6    9   13   20   26   28   32   39   44   51   58   64   68   73   78   82   85   90 
LCS_GDT     R   222_A     R   222_A      5    8   30      3    4    6    9   12   17   20   25   29   34   38   44   50   60   67   73   77   81   85   88 
LCS_GDT     E   223_A     E   223_A      5    8   30      3    4    6    8   10   13   17   19   25   31   35   39   42   48   52   58   68   74   80   85 
LCS_GDT     Q   224_A     Q   224_A      5    8   30      3    4    6    9   11   14   18   22   28   29   33   40   43   46   52   57   66   69   71   77 
LCS_GDT     L   225_A     L   225_A      5    8   30      3    3    6    8   11   14   18   22   28   29   35   40   43   47   52   57   66   74   80   85 
LCS_GDT     I   226_A     I   226_A      4    8   30      3    4    6    9   11   14   17   19   25   31   35   38   44   47   59   62   68   75   80   85 
LCS_GDT     N   227_A     N   227_A      4    8   30      3    4    7    9   12   14   16   19   21   23   25   27   29   33   51   53   57   64   69   76 
LCS_GDT     K   228_A     K   228_A      4   11   30      3    4    7   11   12   14   15   19   21   25   29   32   38   44   51   53   59   64   69   76 
LCS_GDT     G   229_A     G   229_A      4   11   30      2    5    7   11   12   14   17   19   21   25   33   38   44   51   59   63   69   75   82   86 
LCS_GDT     A   230_A     A   230_A      4   11   30      2    4    7   11   12   16   18   26   28   34   42   51   58   64   69   73   78   84   93   94 
LCS_GDT     H   231_A     H   231_A      4   11   30      1    4    7   11   12   17   23   28   35   41   47   54   58   64   72   77   82   87   93   97 
LCS_GDT     P   232_A     P   232_A      4   11   30      3    4    5    6   11   14   18   29   35   41   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     G   233_A     G   233_A      4   11   30      3    3    7   11   12   18   24   29   35   40   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     I   234_A     I   234_A      5   11   30      3    5    5    8   11   19   27   31   36   40   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     K   235_A     K   235_A      5   11   30      3    5    7   12   17   24   30   34   38   40   46   52   58   65   72   77   82   87   93   97 
LCS_GDT     G   236_A     G   236_A      5   11   30      3    5    7   15   21   24   30   34   38   40   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     E   237_A     E   237_A      5   11   30      3    8   14   21   23   28   30   34   38   40   47   54   60   65   72   77   82   87   93   97 
LCS_GDT     N   238_A     N   238_A      5   11   30      3    8   13   17   23   28   30   34   38   41   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     I   239_A     I   239_A      4    7   25      2    5    6   12   17   28   30   34   38   41   47   52   60   65   72   77   82   87   93   97 
LCS_GDT     K   240_A     K   240_A      4    7   20      2    5    6   12   20   28   30   34   38   41   47   51   57   64   69   75   81   86   90   95 
LCS_GDT     V   241_A     V   241_A      4    7   17      0    5    9   12   17   24   30   34   38   40   44   46   53   60   67   72   78   86   90   93 
LCS_GDT     Y   242_A     Y   242_A      4    7   15      1    4    4    6   10   14   17   21   24   28   35   41   48   50   54   60   68   73   77   86 
LCS_GDT     Q   243_A     Q   243_A      4    7   14      0    4    4    6    6    9   12   18   19   25   27   38   41   43   49   51   54   58   61   68 
LCS_AVERAGE  LCS_A:   6.76  (   2.54    5.23   12.52 )

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      7     10     14     21     23     28     30     34     38     44     48     54     60     65     72     77     82     87     93     97 
GDT PERCENT_AT   3.15   4.50   6.31   9.46  10.36  12.61  13.51  15.32  17.12  19.82  21.62  24.32  27.03  29.28  32.43  34.68  36.94  39.19  41.89  43.69
GDT RMS_LOCAL    0.33   0.56   0.95   1.44   1.61   1.93   2.07   2.62   2.86   3.45   3.70   6.02   4.70   5.03   5.35   5.55   5.76   6.00   6.30   6.65
GDT RMS_ALL_AT  19.50  19.48  19.25  19.36  19.35  19.35  19.38  21.98  22.12  20.24  20.31  18.93  16.90  16.62  16.63  16.64  16.70  16.64  18.02  16.50

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  Y    47_A      Y    47_A
#   possible swapping detected:  Y    54_A      Y    54_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   117_A      E   117_A
#   possible swapping detected:  Y   118_A      Y   118_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  F   154_A      F   154_A
#   possible swapping detected:  F   155_A      F   155_A
#   possible swapping detected:  Y   165_A      Y   165_A
#   possible swapping detected:  E   205_A      E   205_A
#   possible swapping detected:  E   207_A      E   207_A
#   possible swapping detected:  F   210_A      F   210_A
#   possible swapping detected:  E   221_A      E   221_A
#   possible swapping detected:  E   223_A      E   223_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    22_A      G    22_A    29.597     0    0.458   0.458    32.032    0.000    0.000
LGA    S    23_A      S    23_A    24.591     0    0.099   0.414    26.212    0.000    0.000
LGA    F    24_A      F    24_A    23.693     0    0.287   1.099    25.359    0.000    0.000
LGA    Q    25_A      Q    25_A    29.564     0    0.102   0.956    34.170    0.000    0.000
LGA    Y    26_A      Y    26_A    28.298     0    0.314   1.203    30.745    0.000    0.000
LGA    M    27_A      M    27_A    20.957     0    0.140   1.137    23.675    0.000    0.000
LGA    K    28_A      K    28_A    23.793     0    0.193   0.903    31.959    0.000    0.000
LGA    D    29_A      D    29_A    27.363     0    0.111   0.890    32.741    0.000    0.000
LGA    L    30_A      L    30_A    20.216     0    0.182   0.541    22.676    0.000    0.000
LGA    N    31_A      N    31_A    18.077     0    0.308   0.417    21.364    0.000    0.000
LGA    K    32_A      K    32_A    24.343     0    0.121   1.382    30.572    0.000    0.000
LGA    H    33_A      H    33_A    22.057     0    0.110   0.968    22.097    0.000    0.000
LGA    I    34_A      I    34_A    21.446     0    0.351   1.478    22.866    0.000    0.000
LGA    P    35_A      P    35_A    24.503     0    0.124   0.284    27.565    0.000    0.000
LGA    F    36_A      F    36_A    22.930     0    0.078   1.605    26.842    0.000    0.000
LGA    Y    37_A      Y    37_A    24.395     0    0.029   1.172    28.393    0.000    0.000
LGA    H    38_A      H    38_A    23.172     0    0.110   1.107    25.364    0.000    0.000
LGA    I    39_A      I    39_A    17.609     0    0.724   0.740    19.385    0.000    0.000
LGA    E    40_A      E    40_A    21.346     0    0.544   0.991    24.753    0.000    0.000
LGA    D    41_A      D    41_A    23.850     0    0.487   0.565    26.188    0.000    0.000
LGA    S    42_A      S    42_A    27.190     0    0.270   0.324    28.712    0.000    0.000
LGA    K    43_A      K    43_A    25.672     0    0.270   0.846    28.635    0.000    0.000
LGA    F    44_A      F    44_A    18.944     0    0.341   1.253    21.376    0.000    0.173
LGA    K    45_A      K    45_A    19.893     2    0.330   0.669    21.197    0.000    0.000
LGA    H    46_A      H    46_A    20.889     0    0.173   1.047    27.461    0.000    0.000
LGA    Y    47_A      Y    47_A    14.261     0    0.118   1.542    19.798    0.000    0.000
LGA    G    48_A      G    48_A     9.314     0    0.417   0.417    11.489    1.786    1.786
LGA    K    49_A      K    49_A     7.291     4    0.167   0.220     7.994    9.286    5.608
LGA    V    50_A      V    50_A     6.766     0    0.125   1.083     9.841   19.048   11.565
LGA    I    51_A      I    51_A     1.687     0    0.065   0.106     5.169   73.214   59.762
LGA    N    52_A      N    52_A     3.334     0    0.722   0.748     7.290   35.833   28.393
LGA    E    53_A      E    53_A     8.855     0    0.441   1.289    13.241    4.048    1.799
LGA    Y    54_A      Y    54_A    13.308     0    0.236   1.181    14.161    0.000    0.000
LGA    D    55_A      D    55_A    16.193     0    0.162   0.737    19.556    0.000    0.000
LGA    F    56_A      F    56_A    19.580     0    0.126   1.516    23.006    0.000    0.000
LGA    N    57_A      N    57_A    22.408     0    0.114   1.125    25.277    0.000    0.000
LGA    E    58_A      E    58_A    24.874     0    0.125   0.994    26.080    0.000    0.000
LGA    L    59_A      L    59_A    23.364     0    0.121   0.964    24.784    0.000    0.000
LGA    E    60_A      E    60_A    24.206     0    0.300   1.087    27.166    0.000    0.000
LGA    T    61_A      T    61_A    29.358     0    0.350   1.185    31.367    0.000    0.000
LGA    Y    62_A      Y    62_A    31.252     0    0.477   0.908    36.455    0.000    0.000
LGA    M    63_A      M    63_A    27.681     0    0.082   1.269    28.964    0.000    0.000
LGA    D    64_A      D    64_A    29.675     0    0.072   0.670    31.092    0.000    0.000
LGA    S    65_A      S    65_A    30.886     0    0.093   0.711    31.149    0.000    0.000
LGA    L    66_A      L    66_A    30.203     0    0.145   0.244    30.545    0.000    0.000
LGA    T    67_A      T    67_A    30.537     0    0.236   0.356    32.759    0.000    0.000
LGA    I    68_A      I    68_A    27.562     0    0.116   1.128    30.009    0.000    0.000
LGA    P    69_A      P    69_A    28.955     0    0.226   0.562    29.154    0.000    0.000
LGA    Q    70_A      Q    70_A    30.677     0    0.110   1.225    34.550    0.000    0.000
LGA    D    71_A      D    71_A    29.476     3    0.455   0.429    31.021    0.000    0.000
LGA    Q    72_A      Q    72_A    24.655     3    0.772   0.946    26.839    0.000    0.000
LGA    N    73_A      N    73_A    21.900     0    0.072   1.273    25.430    0.000    0.000
LGA    V    74_A      V    74_A    26.150     0    0.251   1.191    29.457    0.000    0.000
LGA    Y    75_A      Y    75_A    26.885     0    0.087   1.536    30.025    0.000    0.000
LGA    V    76_A      V    76_A    33.295     0    0.238   0.969    36.809    0.000    0.000
LGA    A    77_A      A    77_A    33.782     0    0.606   0.552    35.348    0.000    0.000
LGA    S    78_A      S    78_A    39.698     0    0.182   0.744    42.823    0.000    0.000
LGA    V    79_A      V    79_A    39.779     0    0.627   1.071    41.638    0.000    0.000
LGA    T    80_A      T    80_A    46.216     0    0.031   1.076    50.374    0.000    0.000
LGA    E    81_A      E    81_A    44.833     0    0.070   1.265    49.129    0.000    0.000
LGA    M    82_A      M    82_A    37.755     0    0.198   1.064    40.260    0.000    0.000
LGA    E    83_A      E    83_A    41.350     0    0.075   0.567    46.534    0.000    0.000
LGA    N    84_A      N    84_A    44.319     0    0.232   1.003    50.091    0.000    0.000
LGA    T    85_A      T    85_A    38.475     0    0.361   0.518    40.507    0.000    0.000
LGA    I    86_A      I    86_A    34.036     0    0.148   0.643    35.767    0.000    0.000
LGA    I    87_A      I    87_A    28.057     0    0.494   0.465    30.117    0.000    0.000
LGA    K    88_A      K    88_A    32.052     0    0.304   1.418    34.753    0.000    0.000
LGA    N    89_A      N    89_A    32.223     0    0.160   0.834    37.641    0.000    0.000
LGA    Q    90_A      Q    90_A    25.662     0    0.219   1.080    27.773    0.000    0.000
LGA    L    91_A      L    91_A    23.416     0    0.166   0.665    25.765    0.000    0.000
LGA    Q    92_A      Q    92_A    27.852     0    0.051   1.002    35.308    0.000    0.000
LGA    E    93_A      E    93_A    27.559     0    0.194   1.087    29.474    0.000    0.000
LGA    A    94_A      A    94_A    20.765     0    0.257   0.245    22.983    0.000    0.000
LGA    F    95_A      F    95_A    18.437     0    0.327   1.377    20.203    0.000    0.000
LGA    Y    96_A      Y    96_A    22.492     0    0.308   1.360    27.819    0.000    0.000
LGA    G    97_A      G    97_A    22.881     0    0.090   0.090    26.538    0.000    0.000
LGA    E    98_A      E    98_A    30.247     0    0.655   1.141    36.064    0.000    0.000
LGA    M    99_A      M    99_A    30.023     0    0.329   0.913    31.432    0.000    0.000
LGA    S   100_A      S   100_A    29.640     0    0.017   0.085    30.978    0.000    0.000
LGA    I   101_A      I   101_A    27.757     0    0.186   0.468    30.046    0.000    0.000
LGA    Q   102_A      Q   102_A    27.371     0    0.129   0.971    27.371    0.000    0.000
LGA    I   103_A      I   103_A    26.903     0    0.122   1.291    29.121    0.000    0.000
LGA    G   104_A      G   104_A    23.978     0    0.346   0.346    25.008    0.000    0.000
LGA    Y   105_A      Y   105_A    22.432     0    0.155   0.370    28.643    0.000    0.000
LGA    C   106_A      C   106_A    17.381     0    0.144   0.837    19.156    0.000    0.000
LGA    N   107_A      N   107_A    17.812     0    0.568   1.070    22.900    0.000    0.000
LGA    G   108_A      G   108_A    13.117     0    0.111   0.111    14.299    0.000    0.000
LGA    P   109_A      P   109_A    10.726     0    0.705   0.722    11.299    0.476    0.272
LGA    N   110_A      N   110_A    10.169     0    0.518   1.104    14.083    2.976    1.488
LGA    S   111_A      S   111_A     3.049     0    0.655   0.867     5.534   50.238   53.968
LGA    T   112_A      T   112_A     1.894     0    0.318   1.122     3.469   63.095   66.122
LGA    L   113_A      L   113_A     2.963     0    0.689   1.380     8.708   57.500   34.881
LGA    N   114_A      N   114_A     3.842     0    0.282   0.967     7.733   42.262   32.560
LGA    G   115_A      G   115_A     4.548     0    0.280   0.280     4.548   49.405   49.405
LGA    L   116_A      L   116_A     3.285     0    0.187   1.286     6.719   31.667   44.702
LGA    E   117_A      E   117_A     6.511     0    0.256   0.646    12.372   22.024   10.423
LGA    Y   118_A      Y   118_A     7.767     0    0.251   0.247     8.202    7.262   12.579
LGA    H   119_A      H   119_A     9.402     0    0.152   1.428    14.247    1.310    0.571
LGA    K   120_A      K   120_A     9.741     0    0.157   0.798    10.878    0.238    0.635
LGA    S   121_A      S   121_A    10.688     0    0.157   0.452    13.525    0.833    0.556
LGA    S   122_A      S   122_A     8.656     0    0.146   0.123     9.413    2.500    4.048
LGA    E   123_A      E   123_A     9.082     0    0.028   0.975     9.776    1.786    2.011
LGA    I   124_A      I   124_A     9.412     0    0.078   0.147    11.390    2.143    1.071
LGA    N   125_A      N   125_A     7.689     0    0.077   0.246     8.300    5.357    8.155
LGA    I   126_A      I   126_A     8.727     0    0.149   1.699    12.417    4.881    2.440
LGA    A   127_A      A   127_A     5.671     0    0.197   0.258     8.560   11.905   16.952
LGA    I   128_A      I   128_A     9.123     0    0.097   0.648    13.398    3.690    1.845
LGA    T   129_A      T   129_A     4.584     0    0.202   0.926     5.999   40.000   36.395
LGA    D   130_A      D   130_A     3.478     0    0.557   1.259     8.737   55.476   34.524
LGA    M   131_A      M   131_A     2.717     0    0.108   1.125     5.554   48.690   52.560
LGA    V   132_A      V   132_A     5.997     0    0.071   0.225     8.617   22.857   15.170
LGA    L   133_A      L   133_A     6.018     0    0.063   1.159     7.160   14.643   32.321
LGA    L   134_A      L   134_A     8.963     0    0.131   0.769     9.754    2.381    2.381
LGA    L   135_A      L   135_A     9.572     0    0.089   0.712    11.432    0.238    1.369
LGA    G   136_A      G   136_A    11.455     0    0.052   0.052    11.455    1.310    1.310
LGA    K   137_A      K   137_A     9.664     0    0.052   1.335    15.444    2.619    1.164
LGA    V   138_A      V   138_A     4.509     0    0.671   0.671     5.622   26.310   28.571
LGA    Q   139_A      Q   139_A     8.310     0    0.522   1.731     9.827    5.000    8.307
LGA    E   140_A      E   140_A    10.398     0    0.428   0.973    13.455    0.119    1.534
LGA    V   141_A      V   141_A    15.328     0    0.599   1.032    18.437    0.000    0.000
LGA    E   142_A      E   142_A    20.357     4    0.583   0.713    21.605    0.000    0.000
LGA    N   143_A      N   143_A    23.472     0    0.218   0.747    28.506    0.000    0.000
LGA    N   144_A      N   144_A    19.142     0    0.374   1.104    25.652    0.000    0.000
LGA    V   145_A      V   145_A    11.709     0    0.305   0.969    14.574    0.000    0.068
LGA    F   146_A      F   146_A     7.428     0    0.381   0.808    10.721    7.262    7.532
LGA    H   147_A      H   147_A     9.602     0    0.317   1.254    12.250    1.310    0.524
LGA    S   148_A      S   148_A    12.590     0    0.263   0.684    16.220    0.000    0.000
LGA    N   149_A      N   149_A    18.983     0    0.270   1.144    22.964    0.000    0.000
LGA    D   150_A      D   150_A    17.141     0    0.180   1.084    21.914    0.000    0.000
LGA    V   151_A      V   151_A    15.286     0    0.392   0.961    15.986    0.000    0.000
LGA    I   152_A      I   152_A    17.144     0    0.175   0.419    21.488    0.000    0.000
LGA    A   153_A      A   153_A    16.118     0    0.130   0.177    16.531    0.000    0.000
LGA    F   154_A      F   154_A    14.335     0    0.118   1.140    15.319    0.000    0.000
LGA    F   155_A      F   155_A    13.208     0    0.046   1.010    14.988    0.000    0.000
LGA    V   156_A      V   156_A     7.697     0    0.050   1.075     9.801    5.476   11.837
LGA    P   157_A      P   157_A     7.367     0    0.190   0.344     9.565   24.643   14.762
LGA    K   158_A      K   158_A     2.493     1    0.058   0.898     4.184   66.310   65.714
LGA    G   159_A      G   159_A     2.760     0    0.157   0.157     4.204   57.976   57.976
LGA    T   160_A      T   160_A     1.477     0    0.063   1.229     5.468   84.167   61.769
LGA    A   161_A      A   161_A     2.241     0    0.069   0.089     4.406   61.429   56.571
LGA    V   162_A      V   162_A     1.466     0    0.141   1.106     4.960   88.214   72.313
LGA    E   163_A      E   163_A     0.439     0    0.040   0.987     3.328   90.595   78.466
LGA    L   164_A      L   164_A     1.986     0    0.027   1.256     6.680   69.048   55.119
LGA    Y   165_A      Y   165_A     2.687     0    0.170   0.764     6.241   51.905   39.167
LGA    S   166_A      S   166_A     3.874     0    0.129   0.696     5.856   39.762   42.063
LGA    T   167_A      T   167_A     5.463     0    0.279   0.273     7.792   24.524   24.558
LGA    T   168_A      T   168_A     4.797     0    0.249   1.001     8.565   42.500   29.592
LGA    L   169_A      L   169_A     2.718     0    0.260   0.553     5.652   51.905   42.083
LGA    H   170_A      H   170_A     2.487     0    0.250   1.457     5.528   59.167   50.333
LGA    F   171_A      F   171_A     2.942     0    0.223   0.385     6.809   55.357   37.576
LGA    A   172_A      A   172_A     4.275     0    0.185   0.213     5.986   33.333   30.952
LGA    P   173_A      P   173_A     3.291     0    0.262   0.458     6.844   47.143   35.238
LGA    C   174_A      C   174_A     1.638     0    0.188   0.193     1.701   77.143   77.143
LGA    K   175_A      K   175_A     1.939     0    0.167   1.618     6.004   70.833   59.153
LGA    V   176_A      V   176_A     2.180     0    0.586   0.573     3.949   61.429   56.599
LGA    N   177_A      N   177_A     1.433     0    0.269   1.219     5.814   71.429   51.012
LGA    N   178_A      N   178_A     3.504     0    0.095   1.014     8.264   36.667   48.095
LGA    E   179_A      E   179_A    10.071     4    0.122   0.112    13.789    2.500    1.111
LGA    G   180_A      G   180_A    11.273     0    0.295   0.295    11.273    0.238    0.238
LGA    F   181_A      F   181_A     9.642     0    0.157   1.010    12.465    0.119    1.342
LGA    K   182_A      K   182_A    13.020     0    0.116   0.838    18.205    0.000    0.000
LGA    T   183_A      T   183_A    12.283     0    0.028   0.588    14.627    0.000    0.000
LGA    I   184_A      I   184_A    16.551     0    0.140   0.739    19.201    0.000    0.000
LGA    V   185_A      V   185_A    16.071     0    0.111   0.122    17.365    0.000    0.000
LGA    I   186_A      I   186_A    18.255     0    0.148   1.556    20.931    0.000    0.000
LGA    L   187_A      L   187_A    18.431     0    0.158   1.105    19.528    0.000    0.000
LGA    P   188_A      P   188_A    21.741     0    0.189   0.392    22.400    0.000    0.000
LGA    K   189_A      K   189_A    25.340     2    0.021   1.080    31.751    0.000    0.000
LGA    G   190_A      G   190_A    26.056     0    0.328   0.328    26.749    0.000    0.000
LGA    T   191_A      T   191_A    22.823     0    0.344   0.982    23.582    0.000    0.000
LGA    N   192_A      N   192_A    23.856     0    0.126   0.953    27.094    0.000    0.000
LGA    D   193_A      D   193_A    30.516     0    0.045   1.264    32.977    0.000    0.000
LGA    P   194_A      P   194_A    33.366     0    0.087   0.284    36.893    0.000    0.000
LGA    L   195_A      L   195_A    34.143     0    0.027   1.168    38.275    0.000    0.000
LGA    S   196_A      S   196_A    40.466     0    0.636   0.852    43.172    0.000    0.000
LGA    T   197_A      T   197_A    42.608     0    0.687   1.372    43.577    0.000    0.000
LGA    N   198_A      N   198_A    44.434     0    0.586   1.026    45.866    0.000    0.000
LGA    I   199_A      I   199_A    41.155     0    0.619   1.334    41.753    0.000    0.000
LGA    Q   200_A      Q   200_A    40.936     4    0.520   0.489    41.204    0.000    0.000
LGA    K   201_A      K   201_A    41.347     0    0.596   1.160    42.791    0.000    0.000
LGA    R   202_A      R   202_A    38.525     0    0.693   1.676    39.574    0.000    0.000
LGA    T   203_A      T   203_A    32.541     0    0.766   0.820    35.120    0.000    0.000
LGA    K   204_A      K   204_A    29.234     0    0.187   1.274    30.473    0.000    0.000
LGA    E   205_A      E   205_A    30.879     0    0.486   0.752    34.548    0.000    0.000
LGA    D   206_A      D   206_A    34.708     0    0.583   1.172    35.460    0.000    0.000
LGA    E   207_A      E   207_A    33.076     0    0.732   0.902    34.809    0.000    0.000
LGA    L   208_A      L   208_A    27.988     0    0.563   1.083    29.761    0.000    0.000
LGA    L   209_A      L   209_A    28.395     0    0.261   1.260    32.374    0.000    0.000
LGA    F   210_A      F   210_A    26.714     0    0.479   1.110    30.048    0.000    0.000
LGA    M   211_A      M   211_A    27.162     0    0.068   1.692    27.628    0.000    0.000
LGA    K   212_A      K   212_A    26.224     0    0.203   1.108    32.494    0.000    0.000
LGA    N   213_A      N   213_A    20.747     0    0.204   1.321    22.875    0.000    0.000
LGA    K   214_A      K   214_A    16.631     0    0.393   0.781    21.741    0.000    0.000
LGA    W   215_A      W   215_A    14.967     0    0.257   1.325    20.090    0.000    0.000
LGA    L   216_A      L   216_A    15.955     0    0.098   0.877    21.708    0.000    0.000
LGA    I   217_A      I   217_A    12.996     0    0.292   0.906    13.493    0.000    0.655
LGA    A   218_A      A   218_A    15.218     0    0.275   0.380    18.114    0.000    0.000
LGA    H   219_A      H   219_A    14.411     0    0.374   1.280    15.525    0.000    0.000
LGA    P   220_A      P   220_A    17.016     0    0.347   0.455    19.497    0.000    0.000
LGA    E   221_A      E   221_A    16.035     0    0.450   1.164    19.584    0.000    0.000
LGA    R   222_A      R   222_A    20.807     0    0.085   0.882    23.315    0.000    0.000
LGA    E   223_A      E   223_A    26.983     0    0.124   1.386    30.436    0.000    0.000
LGA    Q   224_A      Q   224_A    31.276     4    0.171   0.167    33.287    0.000    0.000
LGA    L   225_A      L   225_A    30.040     0    0.126   0.281    31.560    0.000    0.000
LGA    I   226_A      I   226_A    28.557     0    0.316   0.661    30.049    0.000    0.000
LGA    N   227_A      N   227_A    32.752     0    0.143   0.355    35.183    0.000    0.000
LGA    K   228_A      K   228_A    33.720     0    0.170   1.165    38.048    0.000    0.000
LGA    G   229_A      G   229_A    31.924     0    0.210   0.210    32.142    0.000    0.000
LGA    A   230_A      A   230_A    26.681     0    0.208   0.284    28.461    0.000    0.000
LGA    H   231_A      H   231_A    22.277     0    0.261   1.003    23.881    0.000    0.000
LGA    P   232_A      P   232_A    16.335     0    0.319   0.320    20.601    0.000    0.000
LGA    G   233_A      G   233_A     9.484     0    0.478   0.478    11.789    3.333    3.333
LGA    I   234_A      I   234_A     4.665     0    0.232   1.240     6.490   33.929   38.810
LGA    K   235_A      K   235_A     1.885     0    0.347   1.268     4.485   59.524   53.810
LGA    G   236_A      G   236_A     3.873     0    0.266   0.266     3.873   57.500   57.500
LGA    E   237_A      E   237_A     3.080     4    0.257   0.255     4.662   48.452   25.026
LGA    N   238_A      N   238_A     2.627     0    0.344   1.040     8.193   65.000   39.583
LGA    I   239_A      I   239_A     0.799     0    0.092   1.388     3.636   92.857   72.857
LGA    K   240_A      K   240_A     0.942     0    0.213   1.021     7.290   83.690   59.630
LGA    V   241_A      V   241_A     2.895     0    0.162   0.453     5.498   48.214   44.626
LGA    Y   242_A      Y   242_A     7.957     0    0.131   1.561    17.029    9.048    3.254
LGA    Q   243_A      Q   243_A    11.479     0    0.555   0.856    15.979    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1756   1756  100.00               222
SUMMARY(RMSD_GDC):    16.102         16.065                 16.407           11.299    9.808

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     34    2.62    15.991    13.166     1.249

LGA_LOCAL      RMSD:   2.621  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.981  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  16.102  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.529435 * X  +  -0.848348 * Y  +   0.002030 * Z  +  44.338783
  Y_new =   0.659455 * X  +   0.413053 * Y  +   0.628097 * Z  +  44.759361
  Z_new =  -0.533684 * X  +  -0.331198 * Y  +   0.778132 * Z  +  53.146915 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.894328  0.562950 -0.402406   [DEG:   51.2412   32.2547  -23.0562 ]
ZXZ:  3.138361  0.679110 -2.126217   [DEG:  179.8149   38.9101 -121.8233 ]
 
# END of job
