
#######################################################
#                                                     #
#                        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:   105      88_A - 192_A       4.95    46.20
  LONGEST_CONTINUOUS_SEGMENT:   105      89_A - 193_A       4.97    46.09
  LCS_AVERAGE:     27.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43     124_A - 166_A       2.00    45.57
  LCS_AVERAGE:      9.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24     116_A - 139_A       0.95    46.51
  LCS_AVERAGE:      3.87

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      3    4   12      0    3    3    3    4    4    4    4    8   10   10   11   12   12   14   15   19   19   25   26 
LCS_GDT     S    23_A     S    23_A      3    4   12      3    3    3    3    4    4    5    6    8   10   10   11   12   12   16   17   19   22   25   26 
LCS_GDT     F    24_A     F    24_A      3    4   12      3    3    3    3    4    4    5    6    8   10   10   11   12   12   14   18   20   22   25   26 
LCS_GDT     Q    25_A     Q    25_A      3    4   12      3    3    3    3    4    4    7    9    9   11   12   13   15   17   17   33   36   36   37   38 
LCS_GDT     Y    26_A     Y    26_A      3    3   12      3    3    3    3    4    6    6    9   10   12   18   21   22   23   28   33   39   41   44   44 
LCS_GDT     M    27_A     M    27_A      3    4   12      3    3    3    3    4    4    5    6    8   10   10   21   22   23   28   37   39   41   60   62 
LCS_GDT     K    28_A     K    28_A      3    4   12      3    3    3    4    4    6    8   10   14   16   22   27   31   40   44   45   61   65   70   82 
LCS_GDT     D    29_A     D    29_A      4    5   25      3    3    4    6   10   11   16   21   30   39   45   61   68   80   89  100  110  114  117  119 
LCS_GDT     L    30_A     L    30_A      4    5   25      3    3    4    4    6   13   16   24   33   40   49   56   70   77   89   99  109  112  117  119 
LCS_GDT     N    31_A     N    31_A      4    5   25      3    3    4    5   11   18   24   34   45   61   77   95  107  112  114  116  117  119  120  122 
LCS_GDT     K    32_A     K    32_A      4    5   25      3    5    7   14   18   28   45   56   70   90  107  109  114  115  115  116  119  120  121  123 
LCS_GDT     H    33_A     H    33_A      4    8   25      3   16   26   54   68   81   92  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I    34_A     I    34_A      6   18   25      7   21   44   58   70   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     P    35_A     P    35_A      6   18   25      4    8   32   53   68   77   90   96  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     F    36_A     F    36_A      6   18   25      4   12   39   58   70   83   92  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Y    37_A     Y    37_A      6   18   25      6   18   44   59   71   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     H    38_A     H    38_A      6   18   25     12   21   46   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I    39_A     I    39_A      6   18   25     12   21   46   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E    40_A     E    40_A      6   18   25      8   26   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     D    41_A     D    41_A      5   18   25      3    4   11   28   52   75   88   98  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     S    42_A     S    42_A     10   18   25     13   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K    43_A     K    43_A     10   18   25      5   22   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     F    44_A     F    44_A     10   18   25     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K    45_A     K    45_A     10   18   25     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     H    46_A     H    46_A     10   18   25     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Y    47_A     Y    47_A     10   18   25     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G    48_A     G    48_A     10   18   25     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K    49_A     K    49_A     10   18   25     11   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V    50_A     V    50_A     10   18   25      8   29   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I    51_A     I    51_A     10   18   25      7   25   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N    52_A     N    52_A     10   17   25      6   17   35   50   69   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E    53_A     E    53_A     10   17   25      6   13   25   46   67   80   92  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Y    54_A     Y    54_A      4    9   25      3    5    6   22   29   38   47   59   73   88  101  107  110  114  115  116  119  120  121  123 
LCS_GDT     D    55_A     D    55_A      4    9   25      1    4    6    7   10   19   27   37   43   54   75   89   97  103  108  115  117  120  121  123 
LCS_GDT     F    56_A     F    56_A      4    9   25      0    4    6    8   10   13   14   20   31   37   42   49   55   66   84   93  100  110  116  121 
LCS_GDT     N    57_A     N    57_A      4    9   19      3    5    6    8   10   11   14   16   20   23   27   31   34   42   49   55   67   86   97  107 
LCS_GDT     E    58_A     E    58_A      3    9   19      3    5    6    8   10   13   14   16   20   23   27   31   33   39   42   44   49   61   65   73 
LCS_GDT     L    59_A     L    59_A      3    7   19      3    3    4    5    7   11   12   15   20   23   27   31   33   39   42   44   50   57   64   71 
LCS_GDT     E    60_A     E    60_A      3    6   19      3    3    4    6   10   13   14   16   18   23   27   31   35   39   43   47   55   61   67   73 
LCS_GDT     T    61_A     T    61_A      3    6   19      3    3    4    5    7    8   10   16   20   24   27   31   35   39   49   54   60   65   71   81 
LCS_GDT     Y    62_A     Y    62_A      3    6   19      3    3    4    5    7    9   13   16   20   22   26   31   33   39   43   48   56   62   69   77 
LCS_GDT     M    63_A     M    63_A      3    6   19      3    3    4    5    7    9   13   16   20   24   27   31   35   40   49   54   60   65   77   85 
LCS_GDT     D    64_A     D    64_A      4    6   15      3    4    5    8   10   11   14   16   20   24   27   31   37   43   53   60   69   78   86  101 
LCS_GDT     S    65_A     S    65_A      4    6   15      3    4    5    8   10   11   14   16   20   22   25   27   32   38   43   50   56   65   71   78 
LCS_GDT     L    66_A     L    66_A      4    5   15      3    4    5    8   10   11   14   15   20   23   27   31   35   39   43   47   54   61   71   78 
LCS_GDT     T    67_A     T    67_A      4    5   15      3    4    5    8   10   11   14   15   20   23   27   31   35   39   43   46   53   60   67   73 
LCS_GDT     I    68_A     I    68_A      4    5   15      3    4    4    4   10   11   14   15   20   23   27   31   35   39   43   46   53   60   67   72 
LCS_GDT     P    69_A     P    69_A      4    5   15      3    4    4    4    8    9   10   12   16   21   25   31   33   39   42   44   51   57   64   68 
LCS_GDT     Q    70_A     Q    70_A      4    5   15      3    4    4    5    8    9   10   10   14   18   22   31   33   39   42   44   48   51   57   61 
LCS_GDT     D    71_A     D    71_A      3    5   13      3    3    4    5    8    9   10   10   12   17   20   20   22   24   26   36   46   49   53   58 
LCS_GDT     Q    72_A     Q    72_A      3    5   12      3    3    4    5    8    9   10   10   12   17   20   20   22   24   26   30   46   48   53   57 
LCS_GDT     N    73_A     N    73_A      3    5   12      3    3    4    4    6    9   10   13   14   15   17   17   19   24   41   44   48   51   57   58 
LCS_GDT     V    74_A     V    74_A      3    6   12      3    3    4    4    7    9   10   13   18   23   27   31   33   39   42   44   48   51   57   61 
LCS_GDT     Y    75_A     Y    75_A      3    6   12      3    3    4    6    7    8   10   12   16   22   25   31   33   39   42   45   51   57   64   70 
LCS_GDT     V    76_A     V    76_A      3    6   12      3    3    4    6    7    8    9   13   16   21   32   34   35   47   49   55   66   71   80   88 
LCS_GDT     A    77_A     A    77_A      3    6   13      3    3    4    6    7    9   10   22   24   31   37   45   54   59   68   85   90   97  104  112 
LCS_GDT     S    78_A     S    78_A      3    6   13      3    3    4    6    7    9   12   15   23   34   43   49   62   69   82   95  106  109  114  118 
LCS_GDT     V    79_A     V    79_A      3    6   13      3    3    4    5    6    7    9   12   14   19   24   28   34   35   46   58   73   88  105  112 
LCS_GDT     T    80_A     T    80_A      3    6   13      3    3    3    5    6    7    8    8   13   18   21   26   28   33   38   44   52   65   76   85 
LCS_GDT     E    81_A     E    81_A      3    4   13      3    4    5    5    5    7    7    8   11   11   16   31   35   46   52   62   77   81   86  107 
LCS_GDT     M    82_A     M    82_A      5    7   13      3    4    6    6    8    9   14   20   28   30   37   59   75   82   90   95  107  109  114  121 
LCS_GDT     E    83_A     E    83_A      5    7   13      3    4    6    6    8   10   14   20   28   30   37   42   66   82   90   91  107  108  114  118 
LCS_GDT     N    84_A     N    84_A      5    7   13      3    4    6    6    8   10   14   17   21   25   27   34   46   57   65   69   79   83   91  112 
LCS_GDT     T    85_A     T    85_A      5    7   18      3    4    6    6    8   11   14   20   28   30   40   45   55   65   74   87   94  102  109  118 
LCS_GDT     I    86_A     I    86_A      5    7   25      3    4    6    6    8   11   14   20   28   30   42   45   59   67   78   87   97  102  111  118 
LCS_GDT     I    87_A     I    87_A      4    7   25      3    4    5    6    9   11   16   20   28   33   42   53   65   75   88   98  107  112  120  123 
LCS_GDT     K    88_A     K    88_A      4    7  105      3    4    4    5    6    9   16   19   22   32   43   53   67   90  100  109  110  119  121  123 
LCS_GDT     N    89_A     N    89_A      4    6  105      3    4    4    5    6    7    9   10   14   26   31   34   55   58   65   87   93  107  113  123 
LCS_GDT     Q    90_A     Q    90_A      3    5  105      3    3    3    4    5   10   12   16   21   26   33   51   73   90  102  111  117  120  121  123 
LCS_GDT     L    91_A     L    91_A      3    3  105      3    3    3    4    8   10   13   16   30   57   78   93  106  112  116  116  119  120  121  123 
LCS_GDT     Q    92_A     Q    92_A      3    5  105      3    4    4    5    8   11   13   16   21   26   34   62   85  100  111  116  117  120  121  123 
LCS_GDT     E    93_A     E    93_A      4    5  105      0    4    4    4    6    7   27   36   46   51   63   73   93   98  104  107  112  116  121  123 
LCS_GDT     A    94_A     A    94_A      4    5  105      1    4    4    4    5    7    9   12   20   23   63   73   79   82   85   90   97  112  113  119 
LCS_GDT     F    95_A     F    95_A      4    5  105      3    4    4    5    6    7    8   20   27   39   49   55   73   78   91   99  110  115  119  120 
LCS_GDT     Y    96_A     Y    96_A      4    5  105      3    4    4    4    5   19   22   72   90   98  103  107  116  116  117  117  119  120  121  123 
LCS_GDT     G    97_A     G    97_A      3    8  105      3    3   12   28   50   70   84   95  101  109  112  114  116  116  117  117  119  120  121  123 
LCS_GDT     E    98_A     E    98_A      5   31  105      8   28   45   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     M    99_A     M    99_A      8   31  105      3    7   32   51   69   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     S   100_A     S   100_A      8   31  105      3    7   13   45   67   80   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   101_A     I   101_A      8   41  105      4   11   20   45   67   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Q   102_A     Q   102_A      8   41  105      5   13   32   51   70   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   103_A     I   103_A      8   41  105      5   18   35   54   70   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G   104_A     G   104_A      8   41  105      5   18   36   57   70   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Y   105_A     Y   105_A      8   41  105      3   11   21   42   69   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     C   106_A     C   106_A      8   41  105      3    6   17   50   69   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   107_A     N   107_A      8   41  105      4   12   43   55   69   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G   108_A     G   108_A      8   41  105      5   19   43   58   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     P   109_A     P   109_A      7   41  105      7   28   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   110_A     N   110_A     14   41  105      4   11   36   55   69   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     S   111_A     S   111_A     14   41  105      5   27   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     T   112_A     T   112_A     14   41  105      3   18   43   59   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   113_A     L   113_A     14   41  105      5   25   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   114_A     N   114_A     14   41  105      3   18   44   60   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G   115_A     G   115_A     23   41  105      3   18   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   116_A     L   116_A     24   41  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E   117_A     E   117_A     24   41  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Y   118_A     Y   118_A     24   41  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     H   119_A     H   119_A     24   41  105     12   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K   120_A     K   120_A     24   41  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     S   121_A     S   121_A     24   41  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     S   122_A     S   122_A     24   41  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E   123_A     E   123_A     24   41  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   124_A     I   124_A     24   43  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   125_A     N   125_A     24   43  105     11   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   126_A     I   126_A     24   43  105     11   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     A   127_A     A   127_A     24   43  105      6   15   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   128_A     I   128_A     24   43  105      4   23   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     T   129_A     T   129_A     24   43  105      4   20   38   58   72   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     D   130_A     D   130_A     24   43  105     11   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     M   131_A     M   131_A     24   43  105     12   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   132_A     V   132_A     24   43  105     12   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   133_A     L   133_A     24   43  105     14   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   134_A     L   134_A     24   43  105     12   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   135_A     L   135_A     24   43  105     10   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G   136_A     G   136_A     24   43  105     14   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K   137_A     K   137_A     24   43  105     12   22   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   138_A     V   138_A     24   43  105      3   16   33   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Q   139_A     Q   139_A     24   43  105      7   30   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E   140_A     E   140_A     13   43  105      4   20   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   141_A     V   141_A      5   43  105      3    9   32   54   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E   142_A     E   142_A      4   43  105      3    3   17   32   46   73   93  100  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   143_A     N   143_A      8   43  105      3    7    8   12   17   33   47   71   94  106  112  114  114  115  117  117  118  120  121  122 
LCS_GDT     N   144_A     N   144_A     10   43  105      3    7   13   30   45   76   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   145_A     V   145_A     11   43  105      3   13   27   47   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     F   146_A     F   146_A     11   43  105      3   13   27   47   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     H   147_A     H   147_A     11   43  105      3   13   22   44   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     S   148_A     S   148_A     11   43  105      3   12   34   57   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   149_A     N   149_A     11   43  105      6   26   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     D   150_A     D   150_A     11   43  105      6   26   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   151_A     V   151_A     11   43  105      7   30   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   152_A     I   152_A     13   43  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     A   153_A     A   153_A     13   43  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     F   154_A     F   154_A     13   43  105     12   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     F   155_A     F   155_A     13   43  105     12   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   156_A     V   156_A     13   43  105      6   27   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     P   157_A     P   157_A     13   43  105      3   27   43   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K   158_A     K   158_A     13   43  105      3   26   42   59   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G   159_A     G   159_A     13   43  105      3   21   41   56   70   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     T   160_A     T   160_A     13   43  105      6   26   44   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     A   161_A     A   161_A     13   43  105      8   25   46   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   162_A     V   162_A     13   43  105      8   27   46   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E   163_A     E   163_A     13   43  105     11   29   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   164_A     L   164_A     13   43  105     16   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     Y   165_A     Y   165_A     13   43  105     12   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     S   166_A     S   166_A     11   43  105      8   25   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     T   167_A     T   167_A     11   38  105      4    9   29   52   69   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     T   168_A     T   168_A     11   38  105      7   24   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   169_A     L   169_A     11   38  105     14   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     H   170_A     H   170_A     11   38  105     14   32   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     F   171_A     F   171_A     11   38  105      6   27   46   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     A   172_A     A   172_A      6   38  105      4   16   40   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     P   173_A     P   173_A      6   38  105      3    6   20   52   69   83   92  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     C   174_A     C   174_A      6   38  105      3    6   20   51   68   79   90   96  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K   175_A     K   175_A      6   38  105      3    8   28   52   69   80   90  100  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   176_A     V   176_A      6   38  105      4   15   29   55   70   83   90  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   177_A     N   177_A      6   38  105     12   27   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     N   178_A     N   178_A      6   38  105      3    8   12   22   55   76   84   95   99  109  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     E   179_A     E   179_A      3   38  105      3   21   36   57   70   83   91  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G   180_A     G   180_A     10   38  105      6   15   21   51   68   77   88   96  102  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     F   181_A     F   181_A     10   38  105      6   15   26   51   69   79   89   96  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K   182_A     K   182_A     10   38  105      6   15   30   52   69   80   90   96  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     T   183_A     T   183_A     10   38  105      6   15   39   58   70   83   92  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   184_A     I   184_A     10   38  105      6   15   44   58   70   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     V   185_A     V   185_A     10   38  105      6   16   44   58   72   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     I   186_A     I   186_A     10   38  105      6   23   44   61   72   83   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     L   187_A     L   187_A     10   38  105      8   30   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     P   188_A     P   188_A     10   38  105      4   29   47   61   72   84   93  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     K   189_A     K   189_A     10   38  105      3   14   35   56   70   83   90  101  107  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     G   190_A     G   190_A      4   18  105      3    6   22   42   64   79   90   96  101  110  113  114  116  116  117  117  119  120  121  123 
LCS_GDT     T   191_A     T   191_A      4    6  105      3    3    4    7   16   20   62   83   96  102  105  113  116  116  117  117  119  120  121  123 
LCS_GDT     N   192_A     N   192_A      4    6  105      3    4    5    6    9   22   29   34   41   64   82   91   98  100  109  115  117  118  121  122 
LCS_GDT     D   193_A     D   193_A      4    6  105      3    4    4    5    9   12   17   26   41   44   53   62   75   82   91   99  106  116  119  120 
LCS_GDT     P   194_A     P   194_A      4    6  104      3    4    7   11   13   16   17   18   28   38   44   51   61   72   79   91   98  102  111  120 
LCS_GDT     L   195_A     L   195_A      4    6  101      3    4    4    6    9   12   17   23   32   39   49   62   69   80   89   95  100  108  115  120 
LCS_GDT     S   196_A     S   196_A      5    8   99      3    4    5    6    8   10   14   18   26   36   42   50   54   64   73   81   88   97  102  110 
LCS_GDT     T   197_A     T   197_A      5    8   18      3    4    5    6    8   10   14   21   28   38   44   51   56   65   73   81   88   97  102  110 
LCS_GDT     N   198_A     N   198_A      5    8   18      3    4    5    5    7    8   11   17   22   29   38   45   50   56   65   73   79   85   92  100 
LCS_GDT     I   199_A     I   199_A      5    8   18      3    4    5    6    7    8    9   11   16   19   29   40   47   56   65   73   79   85   92  100 
LCS_GDT     Q   200_A     Q   200_A      5    8   18      3    4    5    6    7    8    9   11   16   19   21   26   32   46   59   67   75   81   86   90 
LCS_GDT     K   201_A     K   201_A      4    8   17      3    4    4    6    7    8    8    9   11   14   17   23   27   32   35   40   42   48   53   62 
LCS_GDT     R   202_A     R   202_A      4    8   12      3    4    4    6    7    8    8    9   11   15   17   23   27   32   35   38   42   45   53   59 
LCS_GDT     T   203_A     T   203_A      4    8   12      3    4    4    5    7    8    8    9   11   11   12   14   15   16   18   19   22   25   36   39 
LCS_GDT     K   204_A     K   204_A      3    5   12      3    3    3    5    5    5    7    9   11   11   12   13   15   16   18   19   20   22   23   25 
LCS_GDT     E   205_A     E   205_A      3    4   11      0    3    3    4    4    4    5    8    8    8    9    9   10   12   14   17   20   20   22   24 
LCS_GDT     D   206_A     D   206_A      3    3   11      0    3    3    3    5    6    6    8    8    8    9    9   11   12   14   14   16   18   20   23 
LCS_GDT     E   207_A     E   207_A      3    6   11      3    3    4    4    5    6    6    8    8    8    9    9   11   12   14   14   16   18   20   20 
LCS_GDT     L   208_A     L   208_A      4    6   11      3    3    4    4    5    6    6    8    8    8    9    9   10   10   10   11   11   11   12   13 
LCS_GDT     L   209_A     L   209_A      4    6   13      3    3    4    4    5    6    6    8    8    8    9    9   10   10   10   12   14   15   15   15 
LCS_GDT     F   210_A     F   210_A      4    6   14      3    3    4    4    5    6    6    8    8    8    9    9   10   12   12   13   14   15   15   15 
LCS_GDT     M   211_A     M   211_A      4    6   14      3    3    4    4    5    6    6    8   10   11   11   11   12   12   13   13   14   15   15   15 
LCS_GDT     K   212_A     K   212_A      4   10   14      3    4    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     N   213_A     N   213_A      4   10   14      3    3    5    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     K   214_A     K   214_A      6   10   14      4    6    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     W   215_A     W   215_A      6   10   14      4    6    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     L   216_A     L   216_A      6   10   14      3    6    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     I   217_A     I   217_A      6   10   14      4    6    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     A   218_A     A   218_A      6   10   14      4    6    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     H   219_A     H   219_A      6   10   14      3    6    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     P   220_A     P   220_A      5   10   14      3    4    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     E   221_A     E   221_A      5   10   14      3    5    7    9   10   10   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     R   222_A     R   222_A      4    5   14      3    4    4    4    5    7   10   11   11   12   12   12   12   12   13   13   14   15   15   15 
LCS_GDT     E   223_A     E   223_A      4    5   14      3    4    4    4    5    5    6    8   10   12   12   12   12   12   13   13   13   15   15   15 
LCS_GDT     Q   224_A     Q   224_A      4    5   14      3    4    4    4    5    5    6    6    6    7    8    9   11   12   13   13   13   17   17   17 
LCS_GDT     L   225_A     L   225_A      3    3    9      3    3    3    3    3    5    5    5    6    7    8    8    8   10   10   13   14   17   18   19 
LCS_GDT     I   226_A     I   226_A      3    3   18      3    3    3    3    3    4    5    5    6    7    8   10   11   15   15   17   18   18   18   19 
LCS_GDT     N   227_A     N   227_A      3    4   18      1    3    3    3    4    7    8   11   12   14   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     K   228_A     K   228_A      3    7   18      3    3    5    6    8    9   10   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     G   229_A     G   229_A      5    7   18      3    3    5    6    8    9   10   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     A   230_A     A   230_A      5    7   18      3    3    5    6    8    9   10   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     H   231_A     H   231_A      5    7   18      3    3    5    6    6    9   10   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     P   232_A     P   232_A      5    7   18      3    3    5    6    8    9   10   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     G   233_A     G   233_A      6   11   18      3    5    6    6    8   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     I   234_A     I   234_A      6   11   18      3    5    6    8   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     K   235_A     K   235_A      6   11   18      3    5    6    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     G   236_A     G   236_A      8   11   18      3    5    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     E   237_A     E   237_A      8   11   18      3    6    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     N   238_A     N   238_A      8   11   18      3    5    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     I   239_A     I   239_A      8   11   18      3    6    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     K   240_A     K   240_A      8   11   18      3    6    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     V   241_A     V   241_A      8   11   18      3    6    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     Y   242_A     Y   242_A      8   11   18      3    6    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_GDT     Q   243_A     Q   243_A      8   11   18      3    6    8    9   10   11   11   13   14   15   16   16   17   17   17   17   18   18   18   19 
LCS_AVERAGE  LCS_A:  13.67  (   3.87    9.90   27.24 )

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     16     32     47     61     72     84     93    101    107    110    113    114    116    116    117    117    119    120    121    123 
GDT PERCENT_AT   7.21  14.41  21.17  27.48  32.43  37.84  41.89  45.50  48.20  49.55  50.90  51.35  52.25  52.25  52.70  52.70  53.60  54.05  54.50  55.41
GDT RMS_LOCAL    0.35   0.62   0.97   1.26   1.48   1.82   2.02   2.24   2.43   2.55   2.70   2.75   2.92   2.92   2.99   2.99   3.32   3.38   3.72   4.09
GDT RMS_ALL_AT  46.69  46.64  46.44  46.24  46.14  46.19  46.20  46.16  46.16  46.13  46.11  46.17  46.14  46.14  46.10  46.10  46.12  46.08  45.94  46.15

# Checking swapping
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  Y    37_A      Y    37_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:  E    58_A      E    58_A
#   possible swapping detected:  Y    62_A      Y    62_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:  E   140_A      E   140_A
#   possible swapping detected:  F   155_A      F   155_A
#   possible swapping detected:  F   181_A      F   181_A
#   possible swapping detected:  F   210_A      F   210_A
#   possible swapping detected:  E   221_A      E   221_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    22_A      G    22_A    46.418     0    0.051   0.051    46.423    0.000    0.000
LGA    S    23_A      S    23_A    41.281     0    0.634   0.947    43.342    0.000    0.000
LGA    F    24_A      F    24_A    39.260     0    0.602   0.785    40.390    0.000    0.000
LGA    Q    25_A      Q    25_A    34.731     0    0.613   1.252    36.910    0.000    0.000
LGA    Y    26_A      Y    26_A    30.370     0    0.594   0.507    32.121    0.000    0.000
LGA    M    27_A      M    27_A    25.029     0    0.643   1.054    27.359    0.000    0.000
LGA    K    28_A      K    28_A    22.518     0    0.589   0.889    27.377    0.000    0.000
LGA    D    29_A      D    29_A    18.315     0    0.390   1.147    20.245    0.000    0.000
LGA    L    30_A      L    30_A    17.855     0    0.431   1.391    23.088    0.000    0.000
LGA    N    31_A      N    31_A    12.929     0    0.538   1.463    14.707    0.000    0.000
LGA    K    32_A      K    32_A    10.580     0    0.565   0.994    21.279    1.548    0.688
LGA    H    33_A      H    33_A     4.326     0    0.690   1.214     6.028   42.262   61.857
LGA    I    34_A      I    34_A     2.948     0    0.051   1.281     4.835   43.810   47.024
LGA    P    35_A      P    35_A     4.799     0    0.129   0.168     5.366   40.476   36.803
LGA    F    36_A      F    36_A     3.623     0    0.077   1.257     5.742   43.452   38.788
LGA    Y    37_A      Y    37_A     2.376     0    0.030   0.189     5.523   69.048   49.286
LGA    H    38_A      H    38_A     1.360     0    0.015   1.233     6.750   77.143   56.333
LGA    I    39_A      I    39_A     1.291     0    0.653   0.556     3.040   73.571   75.357
LGA    E    40_A      E    40_A     1.469     0    0.708   1.026     7.654   65.595   42.011
LGA    D    41_A      D    41_A     5.074     0    0.594   0.689    11.625   42.381   22.619
LGA    S    42_A      S    42_A     1.192     0    0.154   0.595     2.591   82.262   83.492
LGA    K    43_A      K    43_A     1.300     0    0.038   0.713     6.298   83.690   54.709
LGA    F    44_A      F    44_A     0.382     0    0.025   0.298     2.168   92.857   84.978
LGA    K    45_A      K    45_A     0.906     2    0.105   1.060     5.636   85.952   54.444
LGA    H    46_A      H    46_A     0.909     0    0.073   1.222     6.710   90.476   58.286
LGA    Y    47_A      Y    47_A     0.972     0    0.121   0.209     1.222   83.690   88.214
LGA    G    48_A      G    48_A     1.168     0    0.049   0.049     1.174   81.429   81.429
LGA    K    49_A      K    49_A     1.256     4    0.082   0.102     1.581   79.286   44.286
LGA    V    50_A      V    50_A     1.466     0    0.054   0.076     1.867   81.429   77.755
LGA    I    51_A      I    51_A     1.552     0    0.104   0.553     2.513   70.833   68.869
LGA    N    52_A      N    52_A     2.963     0    0.659   0.996     4.587   48.929   54.226
LGA    E    53_A      E    53_A     3.698     0    0.293   1.280     7.403   28.452   25.185
LGA    Y    54_A      Y    54_A    10.100     0    0.513   0.476    16.686    1.786    0.595
LGA    D    55_A      D    55_A    14.717     0    0.293   0.897    18.954    0.000    0.000
LGA    F    56_A      F    56_A    19.338     0    0.605   1.241    22.580    0.000    0.000
LGA    N    57_A      N    57_A    24.978     0    0.637   1.195    28.284    0.000    0.000
LGA    E    58_A      E    58_A    30.762     0    0.103   1.144    33.805    0.000    0.000
LGA    L    59_A      L    59_A    30.352     0    0.628   1.477    32.761    0.000    0.000
LGA    E    60_A      E    60_A    29.190     0    0.648   0.984    29.711    0.000    0.000
LGA    T    61_A      T    61_A    31.101     0    0.064   1.187    34.546    0.000    0.000
LGA    Y    62_A      Y    62_A    31.250     0    0.626   0.830    31.602    0.000    0.000
LGA    M    63_A      M    63_A    27.048     0    0.542   1.380    28.450    0.000    0.000
LGA    D    64_A      D    64_A    26.190     0    0.676   0.618    30.718    0.000    0.000
LGA    S    65_A      S    65_A    30.971     0    0.264   0.769    34.242    0.000    0.000
LGA    L    66_A      L    66_A    31.536     0    0.161   0.258    33.015    0.000    0.000
LGA    T    67_A      T    67_A    32.933     0    0.596   1.343    37.060    0.000    0.000
LGA    I    68_A      I    68_A    30.330     0    0.065   0.108    32.263    0.000    0.000
LGA    P    69_A      P    69_A    32.003     0    0.632   0.584    32.003    0.000    0.000
LGA    Q    70_A      Q    70_A    31.984     0    0.603   1.201    34.406    0.000    0.000
LGA    D    71_A      D    71_A    36.160     3    0.589   0.571    38.539    0.000    0.000
LGA    Q    72_A      Q    72_A    34.699     3    0.187   0.917    35.313    0.000    0.000
LGA    N    73_A      N    73_A    34.230     0    0.032   1.159    35.689    0.000    0.000
LGA    V    74_A      V    74_A    35.031     0    0.092   1.055    37.453    0.000    0.000
LGA    Y    75_A      Y    75_A    30.099     0    0.094   0.329    32.129    0.000    0.000
LGA    V    76_A      V    76_A    26.812     0    0.023   0.078    29.831    0.000    0.000
LGA    A    77_A      A    77_A    20.864     0    0.656   0.636    23.346    0.000    0.000
LGA    S    78_A      S    78_A    18.419     0    0.209   0.297    22.066    0.000    0.000
LGA    V    79_A      V    79_A    21.848     0    0.576   0.509    23.784    0.000    0.000
LGA    T    80_A      T    80_A    22.091     0    0.688   1.465    24.878    0.000    0.000
LGA    E    81_A      E    81_A    20.517     0    0.510   1.453    22.345    0.000    0.000
LGA    M    82_A      M    82_A    17.287     0    0.670   0.960    20.666    0.000    0.000
LGA    E    83_A      E    83_A    18.048     0    0.131   1.420    20.454    0.000    0.000
LGA    N    84_A      N    84_A    22.835     0    0.258   0.877    28.549    0.000    0.000
LGA    T    85_A      T    85_A    20.876     0    0.107   0.246    21.454    0.000    0.000
LGA    I    86_A      I    86_A    21.673     0    0.147   1.333    26.643    0.000    0.000
LGA    I    87_A      I    87_A    19.120     0    0.039   1.101    20.811    0.000    0.000
LGA    K    88_A      K    88_A    16.423     0    0.109   1.590    18.563    0.000    0.000
LGA    N    89_A      N    89_A    16.847     0    0.632   0.661    21.970    0.000    0.000
LGA    Q    90_A      Q    90_A    14.610     0    0.612   1.114    21.280    0.000    0.000
LGA    L    91_A      L    91_A    10.774     0    0.617   0.602    11.992    0.000    1.607
LGA    Q    92_A      Q    92_A    12.584     0    0.613   1.157    18.809    0.000    0.000
LGA    E    93_A      E    93_A    13.866     0    0.682   1.064    15.456    0.000    0.000
LGA    A    94_A      A    94_A    17.095     0    0.103   0.118    19.760    0.000    0.000
LGA    F    95_A      F    95_A    14.735     0    0.647   1.466    21.200    0.000    0.000
LGA    Y    96_A      Y    96_A     8.595     0    0.603   1.424    12.564    6.548    2.460
LGA    G    97_A      G    97_A     6.439     0    0.581   0.581     6.656   29.405   29.405
LGA    E    98_A      E    98_A     2.370     0    0.338   1.030     6.803   52.500   37.407
LGA    M    99_A      M    99_A     3.243     0    0.155   0.972    11.174   61.190   37.560
LGA    S   100_A      S   100_A     3.940     0    0.126   0.672     6.499   35.952   32.063
LGA    I   101_A      I   101_A     3.981     0    0.103   1.217     6.363   45.000   38.571
LGA    Q   102_A      Q   102_A     3.409     0    0.073   1.001     3.990   46.667   46.296
LGA    I   103_A      I   103_A     3.474     0    0.108   0.659     4.641   50.000   42.857
LGA    G   104_A      G   104_A     3.134     0    0.168   0.168     3.509   48.333   48.333
LGA    Y   105_A      Y   105_A     3.542     0    0.088   1.076     7.029   48.333   37.460
LGA    C   106_A      C   106_A     3.399     0    0.137   0.846     5.160   43.690   37.857
LGA    N   107_A      N   107_A     3.062     0    0.153   0.471     7.459   57.381   36.607
LGA    G   108_A      G   108_A     2.554     0    0.033   0.033     2.948   59.048   59.048
LGA    P   109_A      P   109_A     1.856     0    0.117   0.495     4.316   70.833   60.068
LGA    N   110_A      N   110_A     2.986     0    0.063   0.976     7.704   57.262   42.976
LGA    S   111_A      S   111_A     1.632     0    0.489   0.469     2.681   66.905   70.317
LGA    T   112_A      T   112_A     2.181     0    0.121   0.899     3.346   66.786   63.810
LGA    L   113_A      L   113_A     2.051     0    0.555   1.172     5.530   53.214   50.298
LGA    N   114_A      N   114_A     2.389     0    0.062   0.286     5.080   63.095   53.631
LGA    G   115_A      G   115_A     2.185     0    0.073   0.073     2.185   75.119   75.119
LGA    L   116_A      L   116_A     0.766     0    0.172   0.303     2.138   85.952   82.798
LGA    E   117_A      E   117_A     0.999     0    0.048   0.661     1.924   90.476   82.593
LGA    Y   118_A      Y   118_A     1.113     0    0.044   0.320     3.430   85.952   72.659
LGA    H   119_A      H   119_A     1.035     0    0.067   0.355     1.845   85.952   82.429
LGA    K   120_A      K   120_A     1.297     0    0.408   0.806     5.613   77.262   65.026
LGA    S   121_A      S   121_A     1.415     0    0.025   0.119     1.625   77.143   80.079
LGA    S   122_A      S   122_A     1.508     0    0.068   0.100     2.202   81.548   77.302
LGA    E   123_A      E   123_A     0.835     0    0.030   0.763     2.686   85.952   74.339
LGA    I   124_A      I   124_A     0.794     0    0.022   0.106     2.243   90.476   82.798
LGA    N   125_A      N   125_A     0.985     0    0.027   0.670     3.870   90.476   81.250
LGA    I   126_A      I   126_A     1.355     0    0.174   0.644     3.310   77.143   72.143
LGA    A   127_A      A   127_A     2.497     0    0.192   0.261     2.497   64.762   64.762
LGA    I   128_A      I   128_A     2.122     0    0.095   1.583     4.466   59.167   59.583
LGA    T   129_A      T   129_A     3.189     0    0.146   0.241     4.756   55.357   48.503
LGA    D   130_A      D   130_A     2.132     0    0.023   1.064     2.337   64.762   66.845
LGA    M   131_A      M   131_A     1.833     0    0.030   0.986     3.737   75.000   70.238
LGA    V   132_A      V   132_A     1.429     0    0.066   0.926     4.173   75.119   67.891
LGA    L   133_A      L   133_A     0.882     0    0.059   0.946     3.650   90.476   79.048
LGA    L   134_A      L   134_A     1.120     0    0.074   0.105     1.291   81.429   81.429
LGA    L   135_A      L   135_A     0.504     0    0.068   0.133     1.668   95.238   88.393
LGA    G   136_A      G   136_A     0.279     0    0.106   0.106     0.658   95.238   95.238
LGA    K   137_A      K   137_A     1.354     0    0.051   0.681     5.859   83.690   62.222
LGA    V   138_A      V   138_A     2.144     0    0.123   1.217     5.008   70.833   56.871
LGA    Q   139_A      Q   139_A     0.606     0    0.340   1.037     6.094   83.810   61.217
LGA    E   140_A      E   140_A     1.867     0    0.231   0.908     4.034   64.405   62.487
LGA    V   141_A      V   141_A     2.834     0    0.179   0.192     4.739   59.048   51.565
LGA    E   142_A      E   142_A     5.387     4    0.621   0.588     8.951   19.881   10.741
LGA    N   143_A      N   143_A     7.568     0    0.565   1.193    11.844   10.833    6.012
LGA    N   144_A      N   144_A     4.303     0    0.281   0.295     4.967   34.286   38.869
LGA    V   145_A      V   145_A     3.331     0    0.094   0.149     3.816   48.333   46.190
LGA    F   146_A      F   146_A     3.091     0    0.085   1.203     5.927   51.786   50.519
LGA    H   147_A      H   147_A     3.597     0    0.024   1.194     5.728   51.905   42.524
LGA    S   148_A      S   148_A     2.671     0    0.654   0.612     4.280   50.357   50.238
LGA    N   149_A      N   149_A     1.796     0    0.104   0.998     3.541   72.857   68.155
LGA    D   150_A      D   150_A     1.808     0    0.132   0.137     2.307   75.000   70.893
LGA    V   151_A      V   151_A     0.874     0    0.030   0.917     2.206   88.214   81.837
LGA    I   152_A      I   152_A     0.611     0    0.051   0.600     2.268   90.476   85.000
LGA    A   153_A      A   153_A     0.741     0    0.057   0.060     1.049   90.476   88.667
LGA    F   154_A      F   154_A     0.815     0    0.116   0.143     1.492   90.476   87.186
LGA    F   155_A      F   155_A     0.783     0    0.054   0.197     2.483   90.476   80.909
LGA    V   156_A      V   156_A     1.258     0    0.152   1.105     3.239   79.405   73.333
LGA    P   157_A      P   157_A     1.867     0    0.152   0.129     2.396   68.810   70.544
LGA    K   158_A      K   158_A     2.295     1    0.120   0.738     4.064   64.762   53.651
LGA    G   159_A      G   159_A     3.100     0    0.074   0.074     3.313   53.571   53.571
LGA    T   160_A      T   160_A     1.783     0    0.045   0.110     2.467   75.119   74.218
LGA    A   161_A      A   161_A     1.456     0    0.175   0.220     2.069   75.119   74.667
LGA    V   162_A      V   162_A     1.582     0    0.040   0.100     1.855   79.286   77.755
LGA    E   163_A      E   163_A     1.347     0    0.037   0.365     2.892   79.286   73.069
LGA    L   164_A      L   164_A     1.061     0    0.079   0.867     3.795   85.952   78.988
LGA    Y   165_A      Y   165_A     0.472     0    0.065   1.126     7.185   92.857   61.190
LGA    S   166_A      S   166_A     1.055     0    0.679   0.692     2.391   81.786   78.889
LGA    T   167_A      T   167_A     3.057     0    0.117   0.228     4.747   57.262   47.823
LGA    T   168_A      T   168_A     1.606     0    0.134   0.877     2.325   77.143   72.993
LGA    L   169_A      L   169_A     0.595     0    0.036   1.108     2.412   92.857   85.238
LGA    H   170_A      H   170_A     0.548     0    0.043   0.155     1.457   90.476   86.857
LGA    F   171_A      F   171_A     1.685     0    0.174   0.480     5.448   83.810   55.152
LGA    A   172_A      A   172_A     2.269     0    0.057   0.064     2.805   68.929   66.571
LGA    P   173_A      P   173_A     4.026     0    0.090   0.449     5.046   40.357   35.850
LGA    C   174_A      C   174_A     5.061     0    0.079   0.813     5.213   30.119   30.635
LGA    K   175_A      K   175_A     4.993     0    0.112   0.682     6.239   28.810   25.820
LGA    V   176_A      V   176_A     4.029     0    0.461   1.375     6.144   32.143   34.490
LGA    N   177_A      N   177_A     2.341     0    0.098   1.117     5.007   48.214   65.119
LGA    N   178_A      N   178_A     6.929     0    0.527   1.270    12.389   15.952    8.333
LGA    E   179_A      E   179_A     3.970     4    0.673   0.605     4.633   35.833   20.741
LGA    G   180_A      G   180_A     6.449     0    0.259   0.259     6.449   20.357   20.357
LGA    F   181_A      F   181_A     5.409     0    0.072   1.303     7.822   25.000   20.952
LGA    K   182_A      K   182_A     5.037     0    0.043   0.791     9.915   28.810   17.725
LGA    T   183_A      T   183_A     3.597     0    0.045   1.029     4.123   41.786   44.354
LGA    I   184_A      I   184_A     3.514     0    0.048   1.187     5.636   48.333   42.619
LGA    V   185_A      V   185_A     3.043     0    0.102   0.128     3.463   50.000   50.000
LGA    I   186_A      I   186_A     2.600     0    0.052   0.151     4.105   65.000   55.952
LGA    L   187_A      L   187_A     1.366     0    0.048   1.377     4.026   75.000   66.607
LGA    P   188_A      P   188_A     1.868     0    0.110   0.308     2.558   65.000   67.211
LGA    K   189_A      K   189_A     3.907     2    0.150   0.752     5.608   39.048   28.042
LGA    G   190_A      G   190_A     6.495     0    0.704   0.704     6.946   16.310   16.310
LGA    T   191_A      T   191_A     8.258     0    0.128   1.081    12.209    2.976    2.381
LGA    N   192_A      N   192_A    13.565     0    0.602   0.894    16.182    0.000    0.000
LGA    D   193_A      D   193_A    17.727     0    0.159   1.004    21.056    0.000    0.000
LGA    P   194_A      P   194_A    21.938     0    0.035   0.155    23.940    0.000    0.000
LGA    L   195_A      L   195_A    22.145     0    0.121   1.472    25.451    0.000    0.000
LGA    S   196_A      S   196_A    26.504     0    0.690   0.836    28.163    0.000    0.000
LGA    T   197_A      T   197_A    28.067     0    0.037   0.989    29.571    0.000    0.000
LGA    N   198_A      N   198_A    32.542     0    0.207   1.168    37.175    0.000    0.000
LGA    I   199_A      I   199_A    31.669     0    0.069   0.583    34.588    0.000    0.000
LGA    Q   200_A      Q   200_A    35.038     4    0.155   0.191    35.122    0.000    0.000
LGA    K   201_A      K   201_A    37.350     0    0.086   0.896    41.287    0.000    0.000
LGA    R   202_A      R   202_A    36.815     0    0.645   1.180    37.432    0.000    0.000
LGA    T   203_A      T   203_A    38.162     0    0.046   1.131    41.965    0.000    0.000
LGA    K   204_A      K   204_A    42.999     0    0.607   0.978    44.831    0.000    0.000
LGA    E   205_A      E   205_A    45.774     0    0.661   1.347    48.676    0.000    0.000
LGA    D   206_A      D   206_A    50.121     0    0.672   0.707    54.000    0.000    0.000
LGA    E   207_A      E   207_A    56.547     0    0.674   1.105    59.350    0.000    0.000
LGA    L   208_A      L   208_A    59.169     0    0.691   0.547    61.103    0.000    0.000
LGA    L   209_A      L   209_A    61.333     0    0.097   0.128    64.678    0.000    0.000
LGA    F   210_A      F   210_A    67.958     0    0.636   1.299    74.136    0.000    0.000
LGA    M   211_A      M   211_A    68.819     0    0.272   1.195    70.928    0.000    0.000
LGA    K   212_A      K   212_A    70.211     0    0.069   0.734    75.206    0.000    0.000
LGA    N   213_A      N   213_A    68.339     0    0.486   0.894    69.665    0.000    0.000
LGA    K   214_A      K   214_A    73.019     0    0.193   0.845    79.768    0.000    0.000
LGA    W   215_A      W   215_A    75.196     0    0.115   1.042    76.965    0.000    0.000
LGA    L   216_A      L   216_A    79.869     0    0.093   0.179    84.493    0.000    0.000
LGA    I   217_A      I   217_A    83.321     0    0.094   0.103    85.353    0.000    0.000
LGA    A   218_A      A   218_A    88.433     0    0.054   0.063    90.348    0.000    0.000
LGA    H   219_A      H   219_A    93.291     0    0.094   0.176    98.552    0.000    0.000
LGA    P   220_A      P   220_A    98.703     0    0.706   0.626   101.346    0.000    0.000
LGA    E   221_A      E   221_A   102.378     0    0.704   0.696   106.239    0.000    0.000
LGA    R   222_A      R   222_A   105.326     0    0.302   0.763   110.683    0.000    0.000
LGA    E   223_A      E   223_A   109.875     0    0.669   1.118   114.108    0.000    0.000
LGA    Q   224_A      Q   224_A   112.280     4    0.645   0.603   112.280    0.000    0.000
LGA    L   225_A      L   225_A   111.549     0    0.634   0.846   112.678    0.000    0.000
LGA    I   226_A      I   226_A   112.178     0    0.630   0.970   114.236    0.000    0.000
LGA    N   227_A      N   227_A   118.459     0    0.686   1.004   124.417    0.000    0.000
LGA    K   228_A      K   228_A   116.249     0    0.675   1.594   120.186    0.000    0.000
LGA    G   229_A      G   229_A   115.634     0    0.417   0.417   115.755    0.000    0.000
LGA    A   230_A      A   230_A   114.461     0    0.593   0.576   117.128    0.000    0.000
LGA    H   231_A      H   231_A   114.891     0    0.354   0.255   116.363    0.000    0.000
LGA    P   232_A      P   232_A   115.782     0    0.147   0.235   115.782    0.000    0.000
LGA    G   233_A      G   233_A   115.527     0    0.624   0.624   116.616    0.000    0.000
LGA    I   234_A      I   234_A   119.915     0    0.085   1.371   124.072    0.000    0.000
LGA    K   235_A      K   235_A   121.953     0    0.226   1.033   123.639    0.000    0.000
LGA    G   236_A      G   236_A   127.682     0    0.087   0.087   130.011    0.000    0.000
LGA    E   237_A      E   237_A   133.030     4    0.044   0.075   134.359    0.000    0.000
LGA    N   238_A      N   238_A   132.887     0    0.270   0.559   135.649    0.000    0.000
LGA    I   239_A      I   239_A   131.435     0    0.065   1.422   132.254    0.000    0.000
LGA    K   240_A      K   240_A   134.823     0    0.083   1.039   138.037    0.000    0.000
LGA    V   241_A      V   241_A   134.161     0    0.077   0.093   136.999    0.000    0.000
LGA    Y   242_A      Y   242_A   139.784     0    0.091   1.358   144.618    0.000    0.000
LGA    Q   243_A      Q   243_A   141.305     0    0.529   1.205   145.296    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):    35.954         36.013                 36.145           33.221   29.849

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0    101    2.24    35.023    31.147     4.310

LGA_LOCAL      RMSD:   2.243  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  46.158  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  35.954  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.718796 * X  +   0.318126 * Y  +   0.618165 * Z  +   5.962300
  Y_new =  -0.037622 * X  +   0.905659 * Y  +  -0.422333 * Z  +  17.282440
  Z_new =  -0.694203 * X  +   0.280315 * Y  +   0.662952 * Z  +  37.384605 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.052292  0.767312  0.400030   [DEG:   -2.9961   43.9637   22.9200 ]
ZXZ:  0.971432  0.846041 -1.187023   [DEG:   55.6589   48.4746  -68.0114 ]
 
# END of job
