
#######################################################
#                                                     #
#                        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:   103      93_A - 195_A       4.84    25.99
  LONGEST_CONTINUOUS_SEGMENT:   103      94_A - 196_A       4.80    26.00
  LONGEST_CONTINUOUS_SEGMENT:   103      95_A - 197_A       4.75    26.00
  LONGEST_CONTINUOUS_SEGMENT:   103      96_A - 198_A       4.84    25.96
  LCS_AVERAGE:     27.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39     151_A - 189_A       1.99    26.18
  LONGEST_CONTINUOUS_SEGMENT:    39     152_A - 190_A       1.98    26.19
  LCS_AVERAGE:      9.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     115_A - 137_A       0.98    25.81
  LONGEST_CONTINUOUS_SEGMENT:    23     116_A - 138_A       0.99    25.77
  LCS_AVERAGE:      3.85

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      0    4   19      0    0    3    3    4    4    4    6    6    9   16   18   20   22   23   25   29   41   45   46 
LCS_GDT     S    23_A     S    23_A      3    4   19      0    3    3    3    4    4    4    8   11   12   14   18   20   22   30   36   41   52   55   69 
LCS_GDT     F    24_A     F    24_A      3    5   19      1    3    3    3    4    5    6    7   15   15   20   40   43   47   81   87  101  109  115  121 
LCS_GDT     Q    25_A     Q    25_A      4    5   19      3    3    4    4    4    7    7   12   17   23   30   34   38   47   54   59  101  109  114  118 
LCS_GDT     Y    26_A     Y    26_A      4    5   19      3    3    4    4    4    5    7   11   13   16   19   22   25   27   48   52   58   74   93  110 
LCS_GDT     M    27_A     M    27_A      4    5   19      3    3    4    4    4   10   11   12   13   16   19   22   37   49   54   61   67  108  114  124 
LCS_GDT     K    28_A     K    28_A      4    5   19      0    3    4    4    6   10   11   14   17   23   30   32   38   49   88   95  104  119  124  125 
LCS_GDT     D    29_A     D    29_A      3    4   27      1    3    3    5    6   10   11   12   13   14   19   32   38   49   54   61   88   91   94  118 
LCS_GDT     L    30_A     L    30_A      3    5   28      1    3    3    4    6    9   11   12   13   23   30   41   57   81   86   94  103  119  124  125 
LCS_GDT     N    31_A     N    31_A      4    5   28      3    4    5    7   10   13   34   43   73   86  102  108  112  115  118  120  121  122  124  131 
LCS_GDT     K    32_A     K    32_A      4    5   28      3    4   12   15   19   41   54   71   91  100  106  113  114  115  118  120  121  122  124  131 
LCS_GDT     H    33_A     H    33_A      4   19   28      6   18   42   56   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I    34_A     I    34_A      6   19   28      7   32   46   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     P    35_A     P    35_A      6   19   28      3    8   19   55   71   78   85   92  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F    36_A     F    36_A      6   19   28      3   16   43   60   72   79   86   93  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     Y    37_A     Y    37_A      6   19   28      6   19   44   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     H    38_A     H    38_A      6   19   28      3   19   44   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I    39_A     I    39_A      6   19   28      7   19   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     E    40_A     E    40_A      6   19   28     13   28   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     D    41_A     D    41_A      5   19   28      3    5   22   38   57   75   85   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     S    42_A     S    42_A     11   19   28     15   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K    43_A     K    43_A     11   19   28      6   32   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F    44_A     F    44_A     11   19   28     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K    45_A     K    45_A     11   19   28     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     H    46_A     H    46_A     11   19   28     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     Y    47_A     Y    47_A     11   19   28     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G    48_A     G    48_A     11   19   28     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K    49_A     K    49_A     11   19   28     15   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V    50_A     V    50_A     11   19   28     11   28   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I    51_A     I    51_A     11   19   28     12   25   42   57   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N    52_A     N    52_A     11   19   28      7   20   34   50   63   78   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     E    53_A     E    53_A      9   16   28      3    6   14   25   45   62   73   87   99  105  111  113  114  115  118  120  121  122  124  125 
LCS_GDT     Y    54_A     Y    54_A      7   13   28      3    6   17   32   50   74   82   92  101  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     D    55_A     D    55_A      4   12   28      3    4    4   30   37   69   84   92   98  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F    56_A     F    56_A      4    5   28      3    4    6   10   15   25   40   57   78   90   95  101  105  111  113  118  120  122  124  131 
LCS_GDT     N    57_A     N    57_A      3    4   28      3    3    4   11   14   18   23   33   42   59   72   89   95  101  105  109  114  119  124  131 
LCS_GDT     E    58_A     E    58_A     11   14   28      4    8    9   11   14   18   27   34   40   59   70   89   95  101  105  109  114  119  124  131 
LCS_GDT     L    59_A     L    59_A     11   14   28      7   10   10   11   13   16   20   23   27   36   47   54   63   72   88  101  105  113  121  130 
LCS_GDT     E    60_A     E    60_A     11   14   28      7   10   10   11   13   14   15   17   20   24   25   37   42   48   57   65   79   89   99  111 
LCS_GDT     T    61_A     T    61_A     11   14   28      7   10   10   11   13   14   15   17   21   27   34   40   51   60   66   74   86   94  105  111 
LCS_GDT     Y    62_A     Y    62_A     11   14   28      7   10   10   11   13   14   15   18   22   29   34   38   43   51   57   65   68   79   88   98 
LCS_GDT     M    63_A     M    63_A     11   14   30      7   10   10   11   13   14   15   17   20   24   25   30   32   40   44   51   56   62   67   75 
LCS_GDT     D    64_A     D    64_A     11   14   30      7   10   10   11   13   14   15   17   20   24   25   28   30   33   38   44   51   54   60   67 
LCS_GDT     S    65_A     S    65_A     11   14   30      7   10   10   11   13   14   15   17   20   24   25   28   32   36   41   48   54   60   64   71 
LCS_GDT     L    66_A     L    66_A     11   14   30      6   10   10   11   13   14   15   17   20   24   25   28   30   33   38   44   50   54   58   62 
LCS_GDT     T    67_A     T    67_A     11   14   30      3   10   10   11   13   14   15   17   20   24   25   28   30   33   35   36   38   48   52   58 
LCS_GDT     I    68_A     I    68_A     11   14   30      3   10   10   11   13   14   15   17   20   24   25   28   30   33   35   36   38   38   42   49 
LCS_GDT     P    69_A     P    69_A      5   14   30      3    3    6    9   13   14   15   17   20   24   25   28   30   33   35   36   38   38   40   49 
LCS_GDT     Q    70_A     Q    70_A      5   14   30      3    3    6   11   13   14   15   17   20   24   25   26   29   33   34   36   38   38   40   43 
LCS_GDT     D    71_A     D    71_A      5   14   30      3    3    5    9   13   14   15   17   20   24   25   26   29   33   35   36   38   38   40   43 
LCS_GDT     Q    72_A     Q    72_A      3   14   30      3    3    4    4    5   10   15   17   20   24   25   28   30   33   35   36   38   38   40   43 
LCS_GDT     N    73_A     N    73_A      6    6   30      3    4    6    6    7    8   13   16   20   24   25   28   30   33   35   36   38   38   40   40 
LCS_GDT     V    74_A     V    74_A      6    6   30      3    5    6    6    7    8   12   17   20   24   25   28   30   33   35   36   38   38   40   43 
LCS_GDT     Y    75_A     Y    75_A      6    6   30      3    5    6    6    7    8   12   17   19   24   25   27   29   33   35   36   38   38   40   43 
LCS_GDT     V    76_A     V    76_A      6    6   30      3    5    6    6    7    8   11   14   17   22   25   28   30   33   35   36   38   38   40   47 
LCS_GDT     A    77_A     A    77_A      6    6   30      4    5    6    6    7    8   11   13   16   20   23   26   29   31   34   36   38   44   49   51 
LCS_GDT     S    78_A     S    78_A      6    6   30      4    5    6    6    6    8   11   14   17   22   25   28   30   33   36   51   57   60   65   71 
LCS_GDT     V    79_A     V    79_A      4    6   30      4    4    4    4   13   14   15   17   20   22   25   28   30   33   36   40   44   50   56   70 
LCS_GDT     T    80_A     T    80_A      4    6   30      4    4    4    7    9   10   12   17   20   22   25   28   30   33   36   40   44   50   56   88 
LCS_GDT     E    81_A     E    81_A      3    6   30      3    3    4    6    7    8   11   17   20   22   25   28   30   33   36   40   46   54   59   70 
LCS_GDT     M    82_A     M    82_A      4   12   30      3    7    8   10   11   12   15   17   20   20   23   28   42   69   76   95  101  110  117  126 
LCS_GDT     E    83_A     E    83_A      4   12   30      3    7    9   10   11   12   15   17   20   22   25   28   30   33   76   95  101  109  112  119 
LCS_GDT     N    84_A     N    84_A      4   12   30      3    6    8   10   11   12   15   17   20   20   25   27   30   33   35   39   51  109  112  116 
LCS_GDT     T    85_A     T    85_A      4   12   30      0    4    6    8   11   12   15   17   20   22   25   31   53   63   89   97  104  113  117  122 
LCS_GDT     I    86_A     I    86_A      8   12   30      4    8    9   10   11   12   15   17   20   28   49   62   79   88   98  103  110  115  123  131 
LCS_GDT     I    87_A     I    87_A      8   12   30      4    8    9   10   11   13   15   19   27   36   43   58   70   81   92  101  109  115  123  131 
LCS_GDT     K    88_A     K    88_A      8   12   30      4    8    9   10   11   12   15   17   22   37   49   58   67   81   89  101  108  113  123  131 
LCS_GDT     N    89_A     N    89_A      8   12   30      4    8    9   10   11   12   15   21   26   29   37   58   70   88   95  103  109  115  121  131 
LCS_GDT     Q    90_A     Q    90_A      8   12   30      4    8    9   10   11   12   15   19   27   36   46   56   65   88   92  102  109  115  123  131 
LCS_GDT     L    91_A     L    91_A      8   12   30      4    8    9   10   11   12   15   19   24   29   37   46   58   81   89  101  108  113  123  131 
LCS_GDT     Q    92_A     Q    92_A      8   12  102      4    8    9   10   11   12   15   21   26   29   49   58   79   88   95  103  109  115  123  131 
LCS_GDT     E    93_A     E    93_A      8   12  103      4    8    9   10   11   12   17   32   36   46   53   65   82   91   99  105  111  118  124  131 
LCS_GDT     A    94_A     A    94_A      4    5  103      3    4    4    5    8   12   14   18   22   27   39   48   58   66   72   89  102  111  120  126 
LCS_GDT     F    95_A     F    95_A      4    5  103      3    4    4    5    8   10   14   18   22   27   31   58   83   94  100  105  113  118  124  131 
LCS_GDT     Y    96_A     Y    96_A      3    5  103      3    3    4    7    8    9   13   38   48   70   73   91  101  110  112  115  118  122  124  131 
LCS_GDT     G    97_A     G    97_A      4    8  103      3    4   10   20   23   30   45   62   72   84  102  106  111  111  113  117  118  121  124  131 
LCS_GDT     E    98_A     E    98_A      4   11  103      3   10   22   43   56   69   83   92  101  107  111  112  114  115  118  120  121  122  124  131 
LCS_GDT     M    99_A     M    99_A      4   28  103      3   10   36   51   64   76   86   96  103  107  111  112  114  115  118  120  121  122  124  131 
LCS_GDT     S   100_A     S   100_A      5   28  103      3    5   25   47   62   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   101_A     I   101_A      5   28  103      4   18   32   50   62   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     Q   102_A     Q   102_A      5   28  103      4   18   32   50   64   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   103_A     I   103_A      5   28  103      4   12   32   50   64   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G   104_A     G   104_A      5   28  103      4   15   33   50   64   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     Y   105_A     Y   105_A      5   28  103      3    5   15   43   63   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     C   106_A     C   106_A      4   34  103      3    5   17   44   64   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N   107_A     N   107_A      4   34  103      3    5   18   46   64   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G   108_A     G   108_A      4   34  103      6   22   39   53   64   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     P   109_A     P   109_A      3   34  103      3   21   38   56   65   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N   110_A     N   110_A      4   34  103      3    3   13   45   62   76   84   93  101  107  111  113  114  115  118  118  121  122  124  131 
LCS_GDT     S   111_A     S   111_A     10   34  103      7   27   41   54   65   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     T   112_A     T   112_A     10   34  103      1   10   36   50   64   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   113_A     L   113_A     10   34  103      4   17   41   53   66   78   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N   114_A     N   114_A     11   34  103      3   10   23   47   63   75   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G   115_A     G   115_A     23   34  103     11   29   42   57   66   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   116_A     L   116_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     E   117_A     E   117_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     Y   118_A     Y   118_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     H   119_A     H   119_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K   120_A     K   120_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     S   121_A     S   121_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     S   122_A     S   122_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     E   123_A     E   123_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   124_A     I   124_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N   125_A     N   125_A     23   34  103     11   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   126_A     I   126_A     23   34  103     15   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     A   127_A     A   127_A     23   34  103      9   20   44   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   128_A     I   128_A     23   34  103      9   20   43   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     T   129_A     T   129_A     23   34  103      8   20   40   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     D   130_A     D   130_A     23   34  103     10   31   45   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     M   131_A     M   131_A     23   34  103     10   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V   132_A     V   132_A     23   34  103     12   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   133_A     L   133_A     23   34  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   134_A     L   134_A     23   34  103      8   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   135_A     L   135_A     23   34  103     13   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G   136_A     G   136_A     23   34  103     15   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K   137_A     K   137_A     23   34  103      8   32   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V   138_A     V   138_A     23   34  103      8   19   39   57   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     Q   139_A     Q   139_A      4   34  103      6   17   41   60   72   78   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     E   140_A     E   140_A      4   26  103      3    7   12   21   32   46   57   70   85  101  106  113  114  115  118  118  121  122  124  131 
LCS_GDT     V   141_A     V   141_A      4    8  103      3    4   10   17   25   45   63   77   92  103  108  113  114  115  118  120  121  122  124  125 
LCS_GDT     E   142_A     E   142_A      4   13  103      3    4    4    5    7   10   27   34   65   89  101  109  113  115  118  120  121  122  124  125 
LCS_GDT     N   143_A     N   143_A      4   18  103      3    5    6   10   15   23   44   57   77  100  105  111  113  114  118  120  121  122  124  125 
LCS_GDT     N   144_A     N   144_A      4   29  103      3   11   21   30   55   73   86   96  103  107  111  113  114  115  118  120  121  122  124  129 
LCS_GDT     V   145_A     V   145_A     10   29  103      5   10   21   34   63   76   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F   146_A     F   146_A     10   29  103      5   10   21   43   66   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     H   147_A     H   147_A     10   29  103      4   11   20   35   63   75   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     S   148_A     S   148_A     10   29  103      5   11   26   56   65   77   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N   149_A     N   149_A     10   29  103      5   11   34   56   65   77   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     D   150_A     D   150_A     10   29  103      5   12   34   56   66   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V   151_A     V   151_A     10   39  103      9   29   47   58   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   152_A     I   152_A     12   39  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     A   153_A     A   153_A     12   39  103     15   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F   154_A     F   154_A     12   39  103      7   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F   155_A     F   155_A     12   39  103      7   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V   156_A     V   156_A     12   39  103      6   24   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     P   157_A     P   157_A     12   39  103      3   18   41   54   70   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K   158_A     K   158_A     12   39  103      7   25   43   56   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G   159_A     G   159_A     12   39  103      4   15   35   54   68   77   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     T   160_A     T   160_A     12   39  103      7   27   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     A   161_A     A   161_A     12   39  103     13   28   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V   162_A     V   162_A     12   39  103     13   28   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     E   163_A     E   163_A     12   39  103     13   32   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   164_A     L   164_A     12   39  103     16   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     Y   165_A     Y   165_A     12   39  103     13   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     S   166_A     S   166_A     12   39  103     12   32   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     T   167_A     T   167_A     12   39  103      4   10   31   51   68   78   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     T   168_A     T   168_A     12   39  103     12   25   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   169_A     L   169_A     12   39  103     15   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     H   170_A     H   170_A     12   39  103     15   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F   171_A     F   171_A     12   39  103      6   28   42   57   68   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     A   172_A     A   172_A      8   39  103      3   19   38   58   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     P   173_A     P   173_A      8   39  103      3    7   31   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     C   174_A     C   174_A      8   39  103      3   13   36   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K   175_A     K   175_A      8   39  103      3   14   35   60   72   79   86   93  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V   176_A     V   176_A      5   39  103      3   14   37   60   72   79   86   95  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N   177_A     N   177_A      4   39  103      3    6   19   52   69   78   86   93  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     N   178_A     N   178_A      9   39  103      3   13   43   60   72   79   86   92  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     E   179_A     E   179_A      9   39  103      8   19   38   60   72   79   86   93  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G   180_A     G   180_A      9   39  103      3   12   34   60   71   78   85   92   97  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     F   181_A     F   181_A      9   39  103      3   20   35   60   72   79   86   93  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K   182_A     K   182_A      9   39  103      7   20   35   60   72   79   86   93  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     T   183_A     T   183_A      9   39  103      9   20   44   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   184_A     I   184_A      9   39  103      9   23   43   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     V   185_A     V   185_A      9   39  103      9   23   44   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     I   186_A     I   186_A      9   39  103      9   28   46   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     L   187_A     L   187_A      9   39  103      9   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     P   188_A     P   188_A      9   39  103      8   34   47   60   72   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     K   189_A     K   189_A      9   39  103      5   19   42   59   70   79   86   96  103  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     G   190_A     G   190_A      3   39  103      3    5   32   60   71   79   86   93  100  107  111  113  114  115  118  120  121  122  124  131 
LCS_GDT     T   191_A     T   191_A      3    6  103      3    3    4    5    6    6   10   18   22   74   92   99  109  115  117  120  121  122  124  131 
LCS_GDT     N   192_A     N   192_A      3    6  103      3    3    5    5   10   14   16   19   62   74   78   90   98  108  117  120  121  122  124  131 
LCS_GDT     D   193_A     D   193_A      3    6  103      3    3    8   10   17   29   40   47   68   79   94  103  109  114  117  120  121  122  124  131 
LCS_GDT     P   194_A     P   194_A      4    6  103      3    4    4    5    6    7   17   22   29   41   92   98  100  113  116  120  121  122  124  131 
LCS_GDT     L   195_A     L   195_A      4    6  103      3    4    4    9   10   10   12   12   18   36   59   78   95  103  114  117  118  119  124  131 
LCS_GDT     S   196_A     S   196_A      4    6  103      3    4    4    7    9    9    9   10   16   24   28   32   38   53   74   83   91  105  110  118 
LCS_GDT     T   197_A     T   197_A      4    7  103      3    4    4    5    6    8    9   10   11   16   23   29   33   37   44   55   76   90  106  111 
LCS_GDT     N   198_A     N   198_A      4    7  103      3    4    4    5    6    8    9   10   11   21   27   29   34   37   54   63   82  104  106  111 
LCS_GDT     I   199_A     I   199_A      4    7   16      3    4    4    5    6    8   10   12   16   21   27   33   38   46   60   70   82   94  102  111 
LCS_GDT     Q   200_A     Q   200_A      4    8   16      3    4    6    7    7    8    9   11   12   15   17   21   26   33   40   44   55   66   79   95 
LCS_GDT     K   201_A     K   201_A      4    8   16      3    4    4    5    7    8   13   15   21   25   32   42   54   66   77   89   95  104  109  115 
LCS_GDT     R   202_A     R   202_A      6    8   16      3    4    6    7    7    8    9   11   14   15   23   27   36   44   49   61   73   85   98  110 
LCS_GDT     T   203_A     T   203_A      6    8   15      3    5    6    7    7    8    9   10   13   17   23   28   41   44   59   69   82   94  103  111 
LCS_GDT     K   204_A     K   204_A      6    8   15      4    5    6    7    7    8    9   10   15   17   22   27   41   43   56   66   76   89  101  111 
LCS_GDT     E   205_A     E   205_A      6    8   15      4    5    6    7    7    8    9   17   21   25   32   32   38   41   56   66   76   89  101  111 
LCS_GDT     D   206_A     D   206_A      6    8   15      4    5    6    7    8   10   14   17   21   25   32   33   39   54   61   70   82   94  104  111 
LCS_GDT     E   207_A     E   207_A      6    8   15      4    5    6    7    8   10   13   16   21   25   32   33   39   50   60   70   82   94  101  111 
LCS_GDT     L   208_A     L   208_A      4    7   16      3    4    4    5    6    8    9   13   21   25   32   33   39   50   60   70   82   94  101  111 
LCS_GDT     L   209_A     L   209_A      4    6   16      3    4    4    4    6    7    9   10   11   17   19   23   26   33   39   44   50   59   71   80 
LCS_GDT     F   210_A     F   210_A      4    7   16      3    4    4    5    7    8    9   10   11   12   15   17   21   31   35   39   46   50   55   62 
LCS_GDT     M   211_A     M   211_A      5    7   16      3    5    5    6    7    7    8   10   11   12   14   15   19   24   25   30   36   37   44   48 
LCS_GDT     K   212_A     K   212_A      5    7   16      4    5    5    6    7    7    8    9   10   12   14   15   16   17   19   25   28   30   38   40 
LCS_GDT     N   213_A     N   213_A      5    7   16      4    5    5    6    7    7    8    9   10   12   14   15   16   17   21   22   24   28   34   36 
LCS_GDT     K   214_A     K   214_A      5    7   16      4    5    5    6    7    7    7    9   11   12   14   15   16   17   21   22   25   28   34   36 
LCS_GDT     W   215_A     W   215_A      5    7   16      4    5    5    6    7    7    9   10   11   12   14   17   18   19   23   25   33   35   42   45 
LCS_GDT     L   216_A     L   216_A      5    7   16      4    5    6    6    7    7    9   10   11   12   17   20   23   31   35   40   46   57   64   72 
LCS_GDT     I   217_A     I   217_A      5    7   16      4    5    6    6    7    7    9   10   11   12   18   20   23   29   36   44   49   57   64   75 
LCS_GDT     A   218_A     A   218_A      5    7   16      4    5    6    6    7    8   11   13   15   18   20   24   28   34   40   48   56   64   71   80 
LCS_GDT     H   219_A     H   219_A      5    7   16      4    5    6    6    7   11   12   13   15   18   20   24   28   34   41   47   56   64   71   78 
LCS_GDT     P   220_A     P   220_A      5    7   16      3    5    6    7    8   11   12   13   15   17   20   23   27   32   38   44   50   57   63   72 
LCS_GDT     E   221_A     E   221_A      4    7   16      3    4    6    7    8   11   12   13   15   17   20   23   27   32   38   44   51   59   65   72 
LCS_GDT     R   222_A     R   222_A      4    6   16      3    3    5    7    8   11   12   13   14   17   20   23   26   30   38   44   50   54   60   67 
LCS_GDT     E   223_A     E   223_A      4    5   16      0    3    4    4    5    9   12   13   15   16   17   22   23   27   32   44   50   54   58   64 
LCS_GDT     Q   224_A     Q   224_A      4    5   10      3    3    4    4    5   11   12   13   13   14   17   22   22   25   29   32   44   48   52   58 
LCS_GDT     L   225_A     L   225_A      3    3    9      3    3    3    3    3    4    6    9   11   13   17   21   22   26   28   31   32   36   38   46 
LCS_GDT     I   226_A     I   226_A      3    3   11      3    3    3    3    3    4    6    8   11   13   17   21   22   26   28   31   32   36   38   46 
LCS_GDT     N   227_A     N   227_A      3    3   11      0    3    3    3    3    5    6    9   11   13   17   21   22   26   28   31   32   36   38   46 
LCS_GDT     K   228_A     K   228_A      4    8   12      0    3    4    6    6    8    9    9   10   13   17   21   22   26   26   30   32   36   38   41 
LCS_GDT     G   229_A     G   229_A      5    8   12      3    5    5    6    7    8    9    9   10   10   11   12   17   21   22   23   27   29   34   41 
LCS_GDT     A   230_A     A   230_A      5    8   14      3    5    5    6    7    8    9    9   10   10   11   12   13   14   15   17   17   19   20   32 
LCS_GDT     H   231_A     H   231_A      5    8   14      3    5    5    6    7    8    9    9   10   10   11   12   13   14   15   18   20   24   32   33 
LCS_GDT     P   232_A     P   232_A      5    8   14      3    5    5    6    7    8    9    9   10   10   11   12   13   14   15   15   15   17   19   30 
LCS_GDT     G   233_A     G   233_A      5    8   14      4    5    5    6    7    8    9    9   10   11   11   12   13   14   15   15   15   17   20   26 
LCS_GDT     I   234_A     I   234_A      5    8   14      4    4    5    6    6    8    9    9   10   11   11   12   13   14   15   15   15   17   18   18 
LCS_GDT     K   235_A     K   235_A      5    8   14      4    4    5    5    7    8    9    9   10   11   11   12   13   14   15   15   15   17   18   18 
LCS_GDT     G   236_A     G   236_A      5    8   14      4    4    5    5    7    8    9    9   10   11   11   12   13   14   15   15   15   17   18   18 
LCS_GDT     E   237_A     E   237_A      5    7   14      4    4    5    5    6    8    8    9   10   11   11   11   13   14   15   15   15   15   16   16 
LCS_GDT     N   238_A     N   238_A      5    7   14      4    4    5    6    6    8    8    9   10   11   11   11   13   14   15   15   15   15   16   16 
LCS_GDT     I   239_A     I   239_A      5    7   14      4    5    5    6    6    8    8    9   10   11   11   11   13   14   15   15   15   15   16   16 
LCS_GDT     K   240_A     K   240_A      5    6   14      4    5    5    6    6    8    8    9   10   11   11   11   13   14   15   15   15   15   16   16 
LCS_GDT     V   241_A     V   241_A      5    6   14      4    5    5    6    6    8    8    9   10   11   11   11   13   14   15   15   15   15   16   16 
LCS_GDT     Y   242_A     Y   242_A      5    6   14      4    5    5    6    6    8    8    9   10   11   11   11   13   14   15   15   15   15   16   16 
LCS_GDT     Q   243_A     Q   243_A      5    6   14      4    5    5    6    6    8    8    9   10   11   11   11   13   14   15   15   15   15   16   16 
LCS_AVERAGE  LCS_A:  13.52  (   3.85    9.06   27.66 )

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     34     47     60     72     79     86     96    103    107    111    113    114    115    118    120    121    122    124    131 
GDT PERCENT_AT   7.21  15.32  21.17  27.03  32.43  35.59  38.74  43.24  46.40  48.20  50.00  50.90  51.35  51.80  53.15  54.05  54.50  54.95  55.86  59.01
GDT RMS_LOCAL    0.30   0.64   0.94   1.26   1.53   1.75   2.03   2.36   2.56   2.68   2.83   3.04   3.06   3.10   3.38   3.66   3.66   3.80   3.96   5.54
GDT RMS_ALL_AT  26.01  26.01  26.14  25.99  26.10  26.06  26.44  26.38  26.33  26.30  26.27  26.41  26.42  26.40  26.46  26.43  26.43  26.35  26.34  25.76

# Checking swapping
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  Y    37_A      Y    37_A
#   possible swapping detected:  D    41_A      D    41_A
#   possible swapping detected:  Y    47_A      Y    47_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    54_A      Y    54_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    75_A      Y    75_A
#   possible swapping detected:  E    81_A      E    81_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:  E   123_A      E   123_A
#   possible swapping detected:  F   146_A      F   146_A
#   possible swapping detected:  F   181_A      F   181_A
#   possible swapping detected:  E   205_A      E   205_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    25.824     0    0.176   0.176    28.421    0.000    0.000
LGA    S    23_A      S    23_A    21.299     0    0.528   0.592    22.963    0.000    0.000
LGA    F    24_A      F    24_A    14.498     0    0.443   1.300    16.827    0.000    0.000
LGA    Q    25_A      Q    25_A    15.072     0    0.518   1.124    15.964    0.000    0.000
LGA    Y    26_A      Y    26_A    16.069     0    0.096   1.236    17.918    0.000    0.000
LGA    M    27_A      M    27_A    14.614     0    0.272   1.042    15.853    0.000    0.000
LGA    K    28_A      K    28_A    13.204     0    0.529   0.735    13.965    0.000    0.000
LGA    D    29_A      D    29_A    15.770     0    0.562   0.552    20.314    0.000    0.000
LGA    L    30_A      L    30_A    12.852     0    0.581   1.361    13.917    0.000    0.000
LGA    N    31_A      N    31_A     8.309     0    0.514   0.610    10.914    9.167    5.595
LGA    K    32_A      K    32_A     8.268     0    0.249   1.320    14.539    8.095    3.704
LGA    H    33_A      H    33_A     3.504     0    0.763   1.503     5.983   52.619   47.524
LGA    I    34_A      I    34_A     2.851     0    0.126   1.070     4.948   43.929   51.488
LGA    P    35_A      P    35_A     5.315     0    0.031   0.135     6.292   37.619   30.884
LGA    F    36_A      F    36_A     4.155     0    0.018   1.021     5.193   32.976   34.632
LGA    Y    37_A      Y    37_A     2.836     0    0.049   0.775     6.007   65.119   44.841
LGA    H    38_A      H    38_A     1.834     0    0.057   1.474     7.755   68.810   44.905
LGA    I    39_A      I    39_A     1.521     0    0.642   0.887     4.042   67.619   64.821
LGA    E    40_A      E    40_A     1.745     0    0.689   0.965     9.811   67.143   38.942
LGA    D    41_A      D    41_A     4.289     0    0.592   0.940     8.999   52.143   29.048
LGA    S    42_A      S    42_A     0.506     0    0.069   0.672     1.957   86.190   84.683
LGA    K    43_A      K    43_A     1.513     0    0.035   0.726     4.392   79.405   63.333
LGA    F    44_A      F    44_A     0.442     0    0.052   0.942     3.341   92.976   80.043
LGA    K    45_A      K    45_A     1.173     2    0.056   0.612     1.981   83.690   61.481
LGA    H    46_A      H    46_A     1.288     0    0.033   1.044     5.293   81.429   63.762
LGA    Y    47_A      Y    47_A     1.044     0    0.042   0.227     1.258   81.429   87.460
LGA    G    48_A      G    48_A     1.070     0    0.044   0.044     1.070   83.690   83.690
LGA    K    49_A      K    49_A     1.090     4    0.072   0.082     1.379   81.429   45.238
LGA    V    50_A      V    50_A     1.597     0    0.023   0.282     2.830   75.000   68.435
LGA    I    51_A      I    51_A     1.721     0    0.097   0.089     2.231   68.810   72.976
LGA    N    52_A      N    52_A     3.021     0    0.728   0.647     4.739   46.905   43.690
LGA    E    53_A      E    53_A     5.782     0    0.558   1.202     6.915   21.905   26.296
LGA    Y    54_A      Y    54_A     4.979     0    0.154   1.285    12.437   34.286   14.563
LGA    D    55_A      D    55_A     6.005     0    0.377   0.938     9.690   13.452   10.714
LGA    F    56_A      F    56_A    11.234     0    0.178   1.245    15.320    0.357    3.593
LGA    N    57_A      N    57_A    15.843     0    0.307   0.918    19.681    0.000    0.000
LGA    E    58_A      E    58_A    16.468     0    0.639   0.684    20.523    0.000    0.000
LGA    L    59_A      L    59_A    19.416     0    0.094   1.421    23.619    0.000    0.000
LGA    E    60_A      E    60_A    23.765     0    0.085   1.295    27.603    0.000    0.000
LGA    T    61_A      T    61_A    25.741     0    0.027   1.142    29.644    0.000    0.000
LGA    Y    62_A      Y    62_A    27.946     0    0.054   1.439    32.044    0.000    0.000
LGA    M    63_A      M    63_A    30.770     0    0.073   1.083    34.959    0.000    0.000
LGA    D    64_A      D    64_A    34.603     0    0.080   0.187    38.667    0.000    0.000
LGA    S    65_A      S    65_A    37.368     0    0.075   0.681    41.176    0.000    0.000
LGA    L    66_A      L    66_A    40.358     0    0.033   1.227    42.210    0.000    0.000
LGA    T    67_A      T    67_A    46.233     0    0.320   0.417    49.544    0.000    0.000
LGA    I    68_A      I    68_A    46.589     0    0.159   0.661    49.414    0.000    0.000
LGA    P    69_A      P    69_A    47.754     0    0.571   0.584    49.345    0.000    0.000
LGA    Q    70_A      Q    70_A    53.501     0    0.376   1.169    55.528    0.000    0.000
LGA    D    71_A      D    71_A    54.521     3    0.434   0.426    56.833    0.000    0.000
LGA    Q    72_A      Q    72_A    50.089     3    0.468   0.774    51.505    0.000    0.000
LGA    N    73_A      N    73_A    48.370     0    0.632   0.643    49.559    0.000    0.000
LGA    V    74_A      V    74_A    44.256     0    0.091   0.124    45.369    0.000    0.000
LGA    Y    75_A      Y    75_A    38.320     0    0.045   1.400    40.632    0.000    0.000
LGA    V    76_A      V    76_A    35.185     0    0.034   1.101    37.441    0.000    0.000
LGA    A    77_A      A    77_A    29.817     0    0.660   0.617    32.030    0.000    0.000
LGA    S    78_A      S    78_A    26.427     0    0.068   0.617    28.520    0.000    0.000
LGA    V    79_A      V    79_A    25.263     0    0.643   1.238    25.780    0.000    0.000
LGA    T    80_A      T    80_A    23.803     0    0.601   0.571    24.916    0.000    0.000
LGA    E    81_A      E    81_A    24.408     0    0.660   1.433    31.476    0.000    0.000
LGA    M    82_A      M    82_A    18.417     0    0.666   0.735    20.451    0.000    0.000
LGA    E    83_A      E    83_A    18.753     0    0.056   1.286    21.618    0.000    0.000
LGA    N    84_A      N    84_A    20.562     0    0.497   0.753    21.963    0.000    0.000
LGA    T    85_A      T    85_A    21.023     0    0.368   1.289    22.369    0.000    0.000
LGA    I    86_A      I    86_A    18.628     0    0.429   0.822    19.543    0.000    0.000
LGA    I    87_A      I    87_A    19.372     0    0.064   1.334    21.884    0.000    0.000
LGA    K    88_A      K    88_A    18.746     0    0.037   1.784    18.996    0.000    0.000
LGA    N    89_A      N    89_A    19.217     0    0.069   1.254    20.956    0.000    0.000
LGA    Q    90_A      Q    90_A    20.067     0    0.102   1.266    26.260    0.000    0.000
LGA    L    91_A      L    91_A    19.233     0    0.013   0.116    19.878    0.000    0.000
LGA    Q    92_A      Q    92_A    18.137     0    0.580   0.908    21.136    0.000    0.000
LGA    E    93_A      E    93_A    18.293     0    0.039   1.049    26.981    0.000    0.000
LGA    A    94_A      A    94_A    19.505     0    0.201   0.226    21.954    0.000    0.000
LGA    F    95_A      F    95_A    15.225     0    0.607   1.390    16.859    0.000    0.000
LGA    Y    96_A      Y    96_A    11.506     0    0.666   1.327    19.464    0.357    0.119
LGA    G    97_A      G    97_A     9.827     0    0.391   0.391    10.219    4.405    4.405
LGA    E    98_A      E    98_A     5.347     0    0.480   1.176     7.505   33.214   24.656
LGA    M    99_A      M    99_A     3.325     0    0.185   0.765     8.265   55.714   34.643
LGA    S   100_A      S   100_A     3.461     0    0.231   0.312     6.353   51.786   41.746
LGA    I   101_A      I   101_A     3.600     0    0.195   1.224     6.647   48.333   45.595
LGA    Q   102_A      Q   102_A     3.333     0    0.092   1.237     3.999   46.667   54.497
LGA    I   103_A      I   103_A     3.593     0    0.013   0.148     6.139   46.667   37.321
LGA    G   104_A      G   104_A     3.339     0    0.339   0.339     4.278   46.786   46.786
LGA    Y   105_A      Y   105_A     3.580     0    0.331   1.142     6.012   45.000   38.571
LGA    C   106_A      C   106_A     3.039     0    0.162   0.233     4.115   46.786   49.048
LGA    N   107_A      N   107_A     3.166     0    0.011   0.193     6.886   59.167   40.000
LGA    G   108_A      G   108_A     2.295     0    0.144   0.144     2.963   67.024   67.024
LGA    P   109_A      P   109_A     1.970     0    0.681   0.549     4.954   75.000   58.844
LGA    N   110_A      N   110_A     4.042     0    0.095   0.817     9.839   42.143   24.940
LGA    S   111_A      S   111_A     2.161     0    0.418   0.680     4.950   59.048   55.397
LGA    T   112_A      T   112_A     2.972     0    0.180   0.990     3.999   55.357   53.129
LGA    L   113_A      L   113_A     2.161     0    0.214   1.254     4.316   57.500   62.024
LGA    N   114_A      N   114_A     3.383     0    0.199   0.456     7.492   57.262   39.762
LGA    G   115_A      G   115_A     1.679     0    0.069   0.069     2.161   75.119   75.119
LGA    L   116_A      L   116_A     0.961     0    0.173   1.260     3.388   85.952   79.940
LGA    E   117_A      E   117_A     0.906     0    0.046   1.061     3.121   90.476   77.407
LGA    Y   118_A      Y   118_A     0.985     0    0.056   0.649     3.381   90.476   79.206
LGA    H   119_A      H   119_A     0.933     0    0.170   0.228     1.000   90.595   93.381
LGA    K   120_A      K   120_A     1.821     0    0.303   1.444     7.283   68.929   55.873
LGA    S   121_A      S   121_A     1.087     0    0.096   0.632     1.266   81.429   81.429
LGA    S   122_A      S   122_A     1.141     0    0.097   0.692     1.814   81.429   80.000
LGA    E   123_A      E   123_A     0.672     0    0.061   0.561     2.082   88.214   82.646
LGA    I   124_A      I   124_A     0.867     0    0.029   1.306     4.045   90.476   80.476
LGA    N   125_A      N   125_A     0.874     0    0.033   0.945     3.776   95.238   84.821
LGA    I   126_A      I   126_A     1.552     0    0.062   0.187     2.995   69.048   65.952
LGA    A   127_A      A   127_A     2.759     0    0.154   0.284     3.568   53.810   54.476
LGA    I   128_A      I   128_A     3.732     0    0.076   0.170     4.532   40.476   42.798
LGA    T   129_A      T   129_A     4.009     0    0.428   0.668     4.743   37.262   36.395
LGA    D   130_A      D   130_A     2.850     0    0.170   0.518     3.187   59.167   57.262
LGA    M   131_A      M   131_A     2.042     0    0.120   1.445     6.678   70.952   57.798
LGA    V   132_A      V   132_A     1.677     0    0.027   0.205     2.761   75.000   69.524
LGA    L   133_A      L   133_A     0.850     0    0.097   0.687     2.301   90.476   83.929
LGA    L   134_A      L   134_A     1.050     0    0.018   1.436     4.144   85.952   73.036
LGA    L   135_A      L   135_A     0.309     0    0.052   1.247     3.382   97.619   79.762
LGA    G   136_A      G   136_A     0.459     0    0.117   0.117     1.080   92.976   92.976
LGA    K   137_A      K   137_A     1.324     0    0.092   1.093     7.657   85.952   61.693
LGA    V   138_A      V   138_A     2.174     0    0.673   0.596     4.675   67.024   56.122
LGA    Q   139_A      Q   139_A     2.898     0    0.705   0.823     7.729   47.857   30.317
LGA    E   140_A      E   140_A     7.526     0    0.358   1.395    14.046   10.833    4.974
LGA    V   141_A      V   141_A     7.528     0    0.608   0.590     9.086   10.238    7.755
LGA    E   142_A      E   142_A     9.723     4    0.569   0.563    11.277    1.190    0.529
LGA    N   143_A      N   143_A     8.647     0    0.686   0.757    11.792    3.571    1.786
LGA    N   144_A      N   144_A     5.087     0    0.325   0.571     5.958   26.310   26.429
LGA    V   145_A      V   145_A     3.956     0    0.087   1.073     4.606   46.905   42.789
LGA    F   146_A      F   146_A     2.859     0    0.031   1.226     7.462   55.357   43.333
LGA    H   147_A      H   147_A     3.769     0    0.073   0.918     7.179   50.119   32.000
LGA    S   148_A      S   148_A     2.641     0    0.011   0.771     3.383   61.190   57.460
LGA    N   149_A      N   149_A     2.525     0    0.039   1.000     6.026   62.976   51.548
LGA    D   150_A      D   150_A     2.120     0    0.051   1.207     4.636   70.952   59.048
LGA    V   151_A      V   151_A     0.427     0    0.031   0.072     1.064   95.357   91.973
LGA    I   152_A      I   152_A     1.051     0    0.068   1.065     4.131   85.952   75.000
LGA    A   153_A      A   153_A     1.252     0    0.049   0.052     1.823   79.286   78.000
LGA    F   154_A      F   154_A     1.195     0    0.118   0.171     2.450   81.429   75.325
LGA    F   155_A      F   155_A     1.149     0    0.051   0.926     3.310   83.690   74.113
LGA    V   156_A      V   156_A     1.241     0    0.210   1.133     4.442   77.381   68.095
LGA    P   157_A      P   157_A     2.176     0    0.636   0.632     4.195   57.976   64.422
LGA    K   158_A      K   158_A     2.075     1    0.629   0.822     5.519   68.810   49.788
LGA    G   159_A      G   159_A     3.558     0    0.091   0.091     3.558   48.452   48.452
LGA    T   160_A      T   160_A     1.620     0    0.042   1.298     2.605   75.119   70.748
LGA    A   161_A      A   161_A     1.360     0    0.171   0.218     1.777   79.286   78.000
LGA    V   162_A      V   162_A     1.407     0    0.048   0.084     1.757   83.690   80.272
LGA    E   163_A      E   163_A     1.037     0    0.081   0.831     2.634   83.690   80.794
LGA    L   164_A      L   164_A     0.933     0    0.045   0.731     3.727   90.476   74.226
LGA    Y   165_A      Y   165_A     0.663     0    0.042   1.105     7.579   90.476   59.365
LGA    S   166_A      S   166_A     0.805     0    0.658   0.810     2.474   84.048   83.254
LGA    T   167_A      T   167_A     2.780     0    0.061   1.293     6.138   60.952   52.721
LGA    T   168_A      T   168_A     1.518     0    0.087   1.169     3.812   79.405   71.224
LGA    L   169_A      L   169_A     0.666     0    0.033   0.982     3.335   90.476   83.214
LGA    H   170_A      H   170_A     0.617     0    0.037   0.104     0.787   90.476   91.429
LGA    F   171_A      F   171_A     1.575     0    0.169   0.471     4.613   83.810   58.398
LGA    A   172_A      A   172_A     2.337     0    0.054   0.049     2.999   68.929   66.571
LGA    P   173_A      P   173_A     3.932     0    0.097   0.162     4.896   45.000   40.000
LGA    C   174_A      C   174_A     4.371     0    0.092   0.145     4.449   38.690   38.175
LGA    K   175_A      K   175_A     5.091     0    0.057   0.549     8.297   27.500   17.460
LGA    V   176_A      V   176_A     4.394     0    0.153   1.134     6.042   35.714   33.537
LGA    N   177_A      N   177_A     5.047     0    0.689   1.202     7.067   30.119   26.131
LGA    N   178_A      N   178_A     5.811     0    0.201   1.024    10.352   21.548   12.679
LGA    E   179_A      E   179_A     5.590     4    0.584   0.524     6.155   20.357   11.958
LGA    G   180_A      G   180_A     6.522     0    0.326   0.326     7.865   12.738   12.738
LGA    F   181_A      F   181_A     5.237     0    0.043   0.461     5.698   27.500   26.277
LGA    K   182_A      K   182_A     4.987     0    0.064   0.766     8.037   31.548   19.894
LGA    T   183_A      T   183_A     3.467     0    0.031   0.147     4.007   43.452   46.327
LGA    I   184_A      I   184_A     3.474     0    0.051   0.674     3.666   51.786   50.060
LGA    V   185_A      V   185_A     2.843     0    0.061   0.179     3.421   53.571   55.102
LGA    I   186_A      I   186_A     2.551     0    0.081   1.091     4.980   64.881   53.571
LGA    L   187_A      L   187_A     1.590     0    0.071   0.835     3.857   70.833   68.214
LGA    P   188_A      P   188_A     1.899     0    0.623   0.801     3.915   63.452   67.551
LGA    K   189_A      K   189_A     2.920     2    0.055   0.615     3.302   53.571   44.550
LGA    G   190_A      G   190_A     5.820     0    0.698   0.698     6.246   24.048   24.048
LGA    T   191_A      T   191_A     8.827     0    0.086   1.060    12.186    2.619    1.497
LGA    N   192_A      N   192_A    11.261     0    0.733   1.386    13.187    0.119    0.060
LGA    D   193_A      D   193_A    10.287     0    0.157   1.057    14.337    0.238    0.119
LGA    P   194_A      P   194_A    10.350     0    0.574   0.576    11.514    0.238    0.136
LGA    L   195_A      L   195_A     9.850     0    0.164   1.348    11.551    0.476    8.333
LGA    S   196_A      S   196_A    15.395     0    0.681   0.847    18.573    0.000    0.000
LGA    T   197_A      T   197_A    17.119     0    0.400   0.561    18.676    0.000    0.000
LGA    N   198_A      N   198_A    18.171     0    0.145   1.098    21.401    0.000    0.000
LGA    I   199_A      I   199_A    20.884     0    0.206   1.271    22.565    0.000    0.000
LGA    Q   200_A      Q   200_A    22.995     4    0.341   0.371    25.258    0.000    0.000
LGA    K   201_A      K   201_A    20.241     0    0.333   1.412    23.199    0.000    0.000
LGA    R   202_A      R   202_A    23.249     0    0.553   1.448    35.249    0.000    0.000
LGA    T   203_A      T   203_A    22.754     0    0.110   0.796    24.449    0.000    0.000
LGA    K   204_A      K   204_A    22.878     0    0.070   0.440    27.323    0.000    0.000
LGA    E   205_A      E   205_A    23.318     0    0.065   0.979    26.798    0.000    0.000
LGA    D   206_A      D   206_A    22.819     0    0.691   0.979    23.676    0.000    0.000
LGA    E   207_A      E   207_A    22.910     0    0.622   1.152    23.664    0.000    0.000
LGA    L   208_A      L   208_A    21.197     0    0.660   1.216    23.132    0.000    0.000
LGA    L   209_A      L   209_A    25.087     0    0.058   0.912    26.492    0.000    0.000
LGA    F   210_A      F   210_A    27.404     0    0.601   1.336    29.147    0.000    0.000
LGA    M   211_A      M   211_A    31.030     0    0.063   1.423    33.623    0.000    0.000
LGA    K   212_A      K   212_A    36.993     0    0.309   0.756    46.181    0.000    0.000
LGA    N   213_A      N   213_A    37.518     0    0.364   0.493    39.293    0.000    0.000
LGA    K   214_A      K   214_A    31.637     0    0.202   0.796    33.691    0.000    0.000
LGA    W   215_A      W   215_A    28.130     0    0.128   0.829    36.125    0.000    0.000
LGA    L   216_A      L   216_A    23.119     0    0.132   1.291    26.384    0.000    0.000
LGA    I   217_A      I   217_A    25.237     0    0.192   1.533    28.931    0.000    0.000
LGA    A   218_A      A   218_A    24.704     0    0.028   0.032    27.419    0.000    0.000
LGA    H   219_A      H   219_A    26.693     0    0.041   1.118    28.927    0.000    0.000
LGA    P   220_A      P   220_A    33.164     0    0.039   0.280    35.625    0.000    0.000
LGA    E   221_A      E   221_A    33.176     0    0.670   1.298    33.301    0.000    0.000
LGA    R   222_A      R   222_A    34.513     0    0.370   1.223    38.136    0.000    0.000
LGA    E   223_A      E   223_A    41.195     0    0.663   1.175    42.428    0.000    0.000
LGA    Q   224_A      Q   224_A    42.846     4    0.647   0.611    45.157    0.000    0.000
LGA    L   225_A      L   225_A    45.188     0    0.628   0.863    47.743    0.000    0.000
LGA    I   226_A      I   226_A    51.593     0    0.629   0.542    55.149    0.000    0.000
LGA    N   227_A      N   227_A    56.607     0    0.677   1.017    59.271    0.000    0.000
LGA    K   228_A      K   228_A    58.838     0    0.660   0.844    59.946    0.000    0.000
LGA    G   229_A      G   229_A    62.435     0    0.649   0.649    62.435    0.000    0.000
LGA    A   230_A      A   230_A    62.356     0    0.072   0.072    64.918    0.000    0.000
LGA    H   231_A      H   231_A    65.211     0    0.050   0.172    67.808    0.000    0.000
LGA    P   232_A      P   232_A    68.391     0    0.186   0.233    70.725    0.000    0.000
LGA    G   233_A      G   233_A    68.731     0    0.679   0.679    68.854    0.000    0.000
LGA    I   234_A      I   234_A    69.573     0    0.096   1.225    71.358    0.000    0.000
LGA    K   235_A      K   235_A    72.342     0    0.162   1.329    72.860    0.000    0.000
LGA    G   236_A      G   236_A    74.797     0    0.120   0.120    75.303    0.000    0.000
LGA    E   237_A      E   237_A    76.230     4    0.030   0.057    76.657    0.000    0.000
LGA    N   238_A      N   238_A    76.704     0    0.555   1.244    79.204    0.000    0.000
LGA    I   239_A      I   239_A    76.595     0    0.128   1.219    78.323    0.000    0.000
LGA    K   240_A      K   240_A    76.077     0    0.073   0.964    82.692    0.000    0.000
LGA    V   241_A      V   241_A    73.389     0    0.146   0.185    74.818    0.000    0.000
LGA    Y   242_A      Y   242_A    77.038     0    0.057   1.354    88.960    0.000    0.000
LGA    Q   243_A      Q   243_A    75.922     0    0.531   1.445    79.532    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):    21.076         21.068                 21.153           32.005   28.282

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     96    2.36    34.910    30.362     3.903

LGA_LOCAL      RMSD:   2.360  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.375  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  21.076  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.356615 * X  +   0.678723 * Y  +  -0.641997 * Z  +  -5.839535
  Y_new =  -0.653896 * X  +   0.672132 * Y  +   0.347358 * Z  +  35.441280
  Z_new =   0.667267 * X  +   0.295927 * Y  +   0.683507 * Z  +  28.421558 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.071516 -0.730534  0.408588   [DEG:  -61.3933  -41.8565   23.4104 ]
ZXZ: -2.066749  0.818240  1.153369   [DEG: -118.4160   46.8817   66.0832 ]
 
# END of job
