
#######################################################
#                                                     #
#                        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  249 ( 2004),  selected  226 , name one
# Molecule2: number of CA atoms  226 ( 1803),  selected  226 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   226      23_B - 248_B       3.43     3.43
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   138      34_B - 171_B       1.98     3.58
  LONGEST_CONTINUOUS_SEGMENT:   138      35_B - 172_B       1.92     3.57
  LONGEST_CONTINUOUS_SEGMENT:   138      36_B - 173_B       1.96     3.55
  LCS_AVERAGE:     44.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      45_B - 118_B       1.00     3.65
  LCS_AVERAGE:     17.71

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  226
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     R    23_B     R    23_B      5    9  226      0    5   14   64  105  156  188  196  203  208  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Y    24_B     Y    24_B      7    9  226      4   60  139  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K    25_B     K    25_B      7    9  226     19   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A    26_B     A    26_B      7    9  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E    27_B     E    27_B      7   14  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I    28_B     I    28_B      7   15  226      4   77  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G    29_B     G    29_B      7   15  226     15   78  138  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    30_B     S    30_B      7   15  226      5   82  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V    31_B     V    31_B      7   29  226      4   49  115  155  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    32_B     S    32_B      4   31  226      1    3   16   35   78  114  151  192  204  208  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P    33_B     P    33_B      7   89  226      4    6    7   20   32   60   88  128  161  195  206  211  214  217  218  219  221  222  225  226 
LCS_GDT     T    34_B     T    34_B      7  138  226      4    6    7   20   29   45   86  127  151  187  203  209  214  217  218  219  221  221  225  226 
LCS_GDT     T    35_B     T    35_B      7  138  226      4    9   20   50   92  123  166  193  204  208  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    36_B     S    36_B      7  138  226      4   14   43   84  126  168  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R    37_B     R    37_B      7  138  226      3    5   33   58  105  147  185  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D    38_B     D    38_B      7  138  226      3    7   23   58  102  139  176  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T    39_B     T    39_B      7  138  226      3    8   37   98  158  181  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F    40_B     F    40_B      7  138  226      4    9   33   58  114  166  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E    41_B     E    41_B      7  138  226      4   16   69  108  153  181  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D    42_B     D    42_B      7  138  226     13   44   92  136  168  183  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H    43_B     H    43_B      7  138  226      4   10   33   93  135  175  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D    44_B     D    44_B     49  138  226     14   70  137  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T    45_B     T    45_B     74  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     C    46_B     C    46_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F    47_B     F    47_B     74  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L    48_B     L    48_B     74  138  226     33   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G    49_B     G    49_B     74  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V    50_B     V    50_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    51_B     S    51_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L    52_B     L    52_B     74  138  226     16   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E    53_B     E    53_B     74  138  226     14   85  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     N    54_B     N    54_B     74  138  226     14   83  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    55_B     S    55_B     74  138  226     22   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     N    56_B     N    56_B     74  138  226     22   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F    57_B     F    57_B     74  138  226     21   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K    58_B     K    58_B     74  138  226     20   91  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P    59_B     P    59_B     74  138  226      8   87  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A    60_B     A    60_B     74  138  226     19   87  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K    61_B     K    61_B     74  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V    62_B     V    62_B     74  138  226     34   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D    63_B     D    63_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A    64_B     A    64_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     M    65_B     M    65_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A    66_B     A    66_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K    67_B     K    67_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     W    68_B     W    68_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I    69_B     I    69_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    70_B     S    70_B     74  138  226     33   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R    71_B     R    71_B     74  138  226     34   93  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R    72_B     R    72_B     74  138  226     20   86  139  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F    73_B     F    73_B     74  138  226     10   86  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    74_B     S    74_B     74  138  226      4   47  129  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Q    75_B     Q    75_B     74  138  226     13   83  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     C    76_B     C    76_B     74  138  226     19   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T    77_B     T    77_B     74  138  226     23   87  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V    78_B     V    78_B     74  138  226     29   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L    79_B     L    79_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I    80_B     I    80_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G    81_B     G    81_B     74  138  226     31   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D    82_B     D    82_B     74  138  226     16   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    83_B     S    83_B     74  138  226     19   92  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I    84_B     I    84_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H    85_B     H    85_B     74  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R    86_B     R    86_B     74  138  226     31   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I    87_B     I    87_B     74  138  226     27   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T    88_B     T    88_B     74  138  226     31   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L    89_B     L    89_B     74  138  226     23   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E    90_B     E    90_B     74  138  226     21   90  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    91_B     S    91_B     74  138  226      8   76  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T    92_B     T    92_B     74  138  226      3    7   37  148  176  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R    93_B     R    93_B     74  138  226      3   54  127  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S    94_B     S    94_B     74  138  226     11   62  135  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     M    95_B     M    95_B     74  138  226      4    9  110  163  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P    96_B     P    96_B     74  138  226     14   59  135  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P    97_B     P    97_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R    98_B     R    98_B     74  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A    99_B     A    99_B     74  138  226     24   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   100_B     A   100_B     74  138  226     31   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   101_B     L   101_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   102_B     D   102_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   103_B     D   103_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   104_B     A   104_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   105_B     L   105_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   106_B     R   106_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   107_B     L   107_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   108_B     G   108_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   109_B     R   109_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   110_B     E   110_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   111_B     F   111_B     74  138  226     34   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   112_B     V   112_B     74  138  226     34   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   113_B     E   113_B     74  138  226     34   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   114_B     S   114_B     74  138  226     34   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   115_B     R   115_B     74  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Q   116_B     Q   116_B     74  138  226     28   91  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P   117_B     P   117_B     74  138  226     34   93  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   118_B     V   118_B     74  138  226     30   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   119_B     F   119_B     66  138  226     11   87  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   120_B     E   120_B     66  138  226     33   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   121_B     S   121_B     66  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   122_B     F   122_B     45  138  226      4    7   37  149  175  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   123_B     R   123_B     31  138  226      4    5    8  143  173  184  188  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   124_B     D   124_B      4  138  226      3    5   39   89  146  180  189  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   125_B     R   125_B      4  138  226      3    4   23   35  117  135  172  194  203  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T   126_B     T   126_B     40  138  226      3   22   94  152  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K   127_B     K   127_B     42  138  226      6   41  106  160  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   128_B     F   128_B     42  138  226      4   41  105  159  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T   129_B     T   129_B     42  138  226     17   87  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   130_B     F   130_B     42  138  226     17   90  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   131_B     V   131_B     42  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T   132_B     T   132_B     42  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     C   133_B     C   133_B     42  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   134_B     S   134_B     42  138  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   135_B     E   135_B     42  138  226     20   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   136_B     V   136_B     42  138  226     23   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Q   137_B     Q   137_B     42  138  226     24   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   138_B     S   138_B     42  138  226     23   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     W   139_B     W   139_B     42  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   140_B     G   140_B     42  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   141_B     L   141_B     42  138  226     14   74  138  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Y   142_B     Y   142_B     42  138  226     14   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   143_B     G   143_B     42  138  226     14   82  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   144_B     D   144_B     42  138  226     11   54  132  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Y   145_B     Y   145_B     42  138  226     14   76  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H   146_B     H   146_B     42  138  226     16   89  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   147_B     E   147_B     42  138  226     17   86  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   148_B     R   148_B     42  138  226     25   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   149_B     L   149_B     42  138  226     21   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   150_B     R   150_B     42  138  226     16   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Q   151_B     Q   151_B     42  138  226     21   90  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H   152_B     H   152_B     42  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Y   153_B     Y   153_B     42  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   154_B     D   154_B     42  138  226     16   76  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Q   155_B     Q   155_B     42  138  226     16   90  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   156_B     D   156_B     42  138  226     19   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   157_B     A   157_B     42  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   158_B     A   158_B     42  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   159_B     F   159_B     42  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   160_B     R   160_B     42  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   161_B     G   161_B     42  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   162_B     S   162_B     42  138  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   163_B     V   163_B     42  138  226     16   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   164_B     E   164_B     42  138  226     10   73  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   165_B     A   165_B     42  138  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   166_B     F   166_B     42  138  226      7   43  124  163  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   167_B     G   167_B     42  138  226     31   82  140  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   168_B     R   168_B     42  138  226      7   65  133  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   169_B     D   169_B     36  138  226      7   12   36  109  166  183  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Y   170_B     Y   170_B     12  138  226      7   10   18   42   95  156  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H   171_B     H   171_B     12  138  226      7   10   28   77  129  181  190  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   172_B     G   172_B     12  138  226      5   10   16   36   71  128  173  192  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K   173_B     K   173_B     12  138  226      6   10   12   20   23   42   69  100  155  185  203  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   174_B     R   174_B     12  134  226      5    9   12   18   23   28   49   64   86  111  144  190  210  214  217  219  221  222  225  226 
LCS_GDT     S   175_B     S   175_B     12   18  226      5    9   12   18   23   28   53   70  104  151  179  200  211  215  217  219  221  222  225  226 
LCS_GDT     E   176_B     E   176_B      7   17  226      3    6    7   16   20   26   34   48   68   83  100  134  155  169  213  218  220  222  225  226 
LCS_GDT     G   177_B     G   177_B      7   17  226      3    6   10   16   20   26   28   33   38   52   68   84  103  120  151  167  196  215  223  226 
LCS_GDT     V   178_B     V   178_B      7   17  226      3    6   10   16   20   26   29   39   65   97  127  152  172  193  213  218  221  222  225  226 
LCS_GDT     S   179_B     S   179_B      7   17  226      3    6   10   16   20   26   28   33   40   62   99  135  148  179  202  214  219  222  225  226 
LCS_GDT     A   180_B     A   180_B      7   17  226      3    5   10   16   20   32   52   60   81   93  128  156  181  200  211  219  221  222  225  226 
LCS_GDT     Q   181_B     Q   181_B      4   17  226      3    6   10   16   20   26   37   60   81   92  127  154  181  200  216  219  221  222  225  226 
LCS_GDT     E   182_B     E   182_B     16   50  226      5   18   32   71  101  153  178  191  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   183_B     L   183_B     19   50  226     10   27   77  144  168  183  189  198  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     D   184_B     D   184_B     21   50  226     10   18   45  101  153  178  188  196  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H   185_B     H   185_B     21   50  226     10   18   56   94  145  177  188  196  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   186_B     R   186_B     21   50  226     10   40  100  154  178  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I   187_B     I   187_B     21   50  226     14   64  130  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   188_B     R   188_B     21   50  226     10   28   78  143  173  184  189  198  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K   189_B     K   189_B     21   50  226     14   56  126  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   190_B     S   190_B     21   50  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   191_B     S   191_B     21   50  226     10   54  127  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   192_B     E   192_B     21   50  226     11   53  130  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Y   193_B     Y   193_B     21   50  226     12   79  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   194_B     F   194_B     21   50  226     11   54  130  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   195_B     L   195_B     21   50  226     12   55  134  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   196_B     E   196_B     21   50  226     12   81  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   197_B     E   197_B     21   50  226     14   82  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   198_B     F   198_B     21   50  226     12   54  130  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   199_B     A   199_B     21   50  226     16   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I   200_B     I   200_B     21   50  226     14   78  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   201_B     F   201_B     21   50  226      9   40  115  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   202_B     A   202_B     21   50  226      7   40  107  164  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     C   203_B     C   203_B     21   50  226      4   40  114  164  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   204_B     L   204_B     21   50  226     12   67  134  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Q   205_B     Q   205_B     19   50  226     10   57  131  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     R   206_B     R   206_B      5   50  226      6   47  127  163  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T   207_B     T   207_B     19   50  226      6   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   208_B     G   208_B     19   50  226     14   62  131  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   209_B     S   209_B     21   50  226      3   76  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P   210_B     P   210_B     21   50  226      8   33  112  152  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   211_B     V   211_B     21   50  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     M   212_B     M   212_B     21   50  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   213_B     V   213_B     21   50  226     34   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Y   214_B     Y   214_B     21   50  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P   215_B     P   215_B     21   50  226     33   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   216_B     G   216_B     21   50  226     33   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   217_B     S   217_B     21   50  226     22   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     F   218_B     F   218_B     21   50  226     26   91  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   219_B     S   219_B     21   50  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     T   220_B     T   220_B     21   50  226     31   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   221_B     L   221_B     21   50  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   222_B     S   222_B     21   50  226     26   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   223_B     E   223_B     21   50  226     31   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I   224_B     I   224_B     21   50  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   225_B     A   225_B     21   50  226     32   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     Q   226_B     Q   226_B     21   50  226     11   84  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   227_B     G   227_B     21   50  226     16   81  140  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K   228_B     K   228_B     21   50  226     15   63  138  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H   229_B     H   229_B     21   50  226     14   63  138  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P   230_B     P   230_B     20   50  226      3   27   87  158  177  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   231_B     G   231_B     12   50  226      3    4    6   16   28   88  177  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     A   232_B     A   232_B      5   50  226      3    9   33   98  146  178  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     P   233_B     P   233_B      5   48  226      3    4   10   40   75  119  190  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   234_B     E   234_B      5   46  226      3   16   76  112  158  179  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     E   235_B     E   235_B      5   29  226      4   10   22   43  100  130  176  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   236_B     L   236_B      5   13  226      4    5   14   23   42   60   92  105  139  185  204  209  214  217  218  219  220  222  225  226 
LCS_GDT     R   237_B     R   237_B      5   13  226      4    5    8   10   21   41   87  104  120  149  202  209  214  217  218  218  220  221  225  226 
LCS_GDT     D   238_B     D   238_B      5   13  226      4    5   28   58  109  150  188  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   239_B     L   239_B     10   13  226      3   16   85  145  175  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     I   240_B     I   240_B     10   13  226     33   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   241_B     V   241_B     10   13  226     28   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     V   242_B     V   242_B     10   13  226     27   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     S   243_B     S   243_B     10   13  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   244_B     L   244_B     10   13  226     34   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     H   245_B     H   245_B     10   13  226     35   94  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     L   246_B     L   246_B     10   13  226      8   85  141  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     K   247_B     K   247_B     10   13  226     10   84  140  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_GDT     G   248_B     G   248_B     10   12  226      9   81  138  165  179  184  191  200  205  209  212  214  214  217  218  219  221  222  225  226 
LCS_AVERAGE  LCS_A:  54.02  (  17.71   44.36  100.00 )

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     35     94    141    165    179    184    191    200    205    209    212    214    214    217    218    219    221    222    225    226 
GDT PERCENT_AT  15.49  41.59  62.39  73.01  79.20  81.42  84.51  88.50  90.71  92.48  93.81  94.69  94.69  96.02  96.46  96.90  97.79  98.23  99.56 100.00
GDT RMS_LOCAL    0.34   0.66   0.93   1.12   1.26   1.34   1.54   1.76   1.89   2.02   2.13   2.23   2.23   2.42   2.48   2.58   2.96   3.05   3.28   3.43
GDT RMS_ALL_AT   3.69   3.66   3.64   3.66   3.65   3.65   3.63   3.61   3.59   3.56   3.55   3.52   3.52   3.52   3.52   3.49   3.44   3.44   3.43   3.43

# Checking swapping
#   possible swapping detected:  Y    24_B      Y    24_B
#   possible swapping detected:  D    38_B      D    38_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  F    57_B      F    57_B
#   possible swapping detected:  D    63_B      D    63_B
#   possible swapping detected:  F    73_B      F    73_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  F   111_B      F   111_B
#   possible swapping detected:  F   122_B      F   122_B
#   possible swapping detected:  F   128_B      F   128_B
#   possible swapping detected:  E   135_B      E   135_B
#   possible swapping detected:  Y   153_B      Y   153_B
#   possible swapping detected:  D   156_B      D   156_B
#   possible swapping detected:  Y   193_B      Y   193_B
#   possible swapping detected:  F   198_B      F   198_B
#   possible swapping detected:  F   218_B      F   218_B
#   possible swapping detected:  E   234_B      E   234_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    23_B      R    23_B     5.089     0    0.548   1.274     7.218   32.381   47.229
LGA    Y    24_B      Y    24_B     1.748     0    0.151   1.177     7.881   73.214   48.929
LGA    K    25_B      K    25_B     1.219     0    0.042   0.967     4.758   85.952   69.206
LGA    A    26_B      A    26_B     0.399     0    0.128   0.184     1.213   92.976   92.476
LGA    E    27_B      E    27_B     0.292     0    0.107   0.999     5.213  100.000   73.968
LGA    I    28_B      I    28_B     1.269     0    0.167   1.003     3.846   79.286   67.440
LGA    G    29_B      G    29_B     1.606     0    0.630   0.630     2.887   73.214   73.214
LGA    S    30_B      S    30_B     1.291     0    0.638   0.739     2.391   75.119   74.444
LGA    V    31_B      V    31_B     2.176     0    0.578   1.332     4.226   57.381   52.381
LGA    S    32_B      S    32_B     6.328     0    0.133   0.566    10.674   14.643   10.238
LGA    P    33_B      P    33_B     8.341     0    0.105   0.397     8.499    6.667    7.347
LGA    T    34_B      T    34_B     9.104     0    0.071   0.772    12.289    3.452    2.381
LGA    T    35_B      T    35_B     6.700     0    0.151   0.214     7.570   14.762   15.238
LGA    S    36_B      S    36_B     4.859     0    0.674   0.902     5.591   27.619   29.841
LGA    R    37_B      R    37_B     5.129     0    0.092   1.199     7.157   26.190   28.182
LGA    D    38_B      D    38_B     5.501     0    0.255   0.901     6.146   22.738   21.548
LGA    T    39_B      T    39_B     3.911     0    0.168   0.155     4.561   38.690   38.980
LGA    F    40_B      F    40_B     4.559     0    0.054   1.275     5.168   34.286   51.991
LGA    E    41_B      E    41_B     3.962     0    0.197   0.679     6.534   43.452   31.799
LGA    D    42_B      D    42_B     3.098     0    0.185   0.384     3.456   53.690   55.417
LGA    H    43_B      H    43_B     4.388     0    0.494   1.192    13.209   49.286   21.190
LGA    D    44_B      D    44_B     2.223     0    0.725   1.579     8.612   70.952   42.679
LGA    T    45_B      T    45_B     0.735     0    0.152   0.172     1.143   88.214   89.184
LGA    C    46_B      C    46_B     0.448     0    0.084   0.209     0.602   97.619   98.413
LGA    F    47_B      F    47_B     0.521     0    0.032   1.173     5.986   97.619   67.965
LGA    L    48_B      L    48_B     0.347     0    0.083   1.155     2.587  100.000   87.857
LGA    G    49_B      G    49_B     0.671     0    0.046   0.046     0.671   97.619   97.619
LGA    V    50_B      V    50_B     0.289     0    0.051   1.150     2.868  100.000   88.639
LGA    S    51_B      S    51_B     0.465     0    0.082   0.703     2.278   95.238   89.365
LGA    L    52_B      L    52_B     1.261     0    0.643   1.287     4.043   72.024   69.048
LGA    E    53_B      E    53_B     1.305     0    0.110   0.348     2.087   81.429   77.672
LGA    N    54_B      N    54_B     1.262     0    0.084   0.283     1.664   81.429   80.357
LGA    S    55_B      S    55_B     1.423     0    0.047   0.557     2.581   79.286   74.524
LGA    N    56_B      N    56_B     1.300     0    0.108   0.812     2.449   81.429   78.274
LGA    F    57_B      F    57_B     1.207     0    0.142   0.419     1.265   83.690   88.052
LGA    K    58_B      K    58_B     1.033     0    0.105   0.779     5.339   90.714   73.915
LGA    P    59_B      P    59_B     1.240     0    0.130   0.294     1.902   83.690   82.789
LGA    A    60_B      A    60_B     1.381     0    0.085   0.088     1.669   83.690   81.524
LGA    K    61_B      K    61_B     0.867     0    0.039   0.274     0.994   90.476   90.476
LGA    V    62_B      V    62_B     0.934     0    0.050   0.882     2.894   90.476   83.197
LGA    D    63_B      D    63_B     0.646     0    0.021   0.252     0.908   92.857   94.048
LGA    A    64_B      A    64_B     0.494     0    0.042   0.045     0.553   92.857   94.286
LGA    M    65_B      M    65_B     0.557     0    0.024   0.909     3.444   90.476   88.988
LGA    A    66_B      A    66_B     0.744     0    0.038   0.070     0.789   90.476   90.476
LGA    K    67_B      K    67_B     0.701     0    0.042   1.245     5.053   90.476   71.693
LGA    W    68_B      W    68_B     0.661     0    0.072   0.200     1.193   90.476   88.537
LGA    I    69_B      I    69_B     0.614     0    0.056   0.099     0.712   92.857   92.857
LGA    S    70_B      S    70_B     0.370     0    0.104   0.549     1.876   97.619   92.302
LGA    R    71_B      R    71_B     0.880     0    0.180   1.082     2.694   90.476   80.346
LGA    R    72_B      R    72_B     1.625     0    0.054   1.934     5.653   75.000   61.602
LGA    F    73_B      F    73_B     1.487     0    0.074   0.279     2.071   77.143   75.281
LGA    S    74_B      S    74_B     2.632     0    0.249   0.620     3.336   60.952   61.111
LGA    Q    75_B      Q    75_B     1.594     0    0.078   0.905     3.039   77.143   78.095
LGA    C    76_B      C    76_B     1.126     0    0.081   0.104     1.525   79.286   83.016
LGA    T    77_B      T    77_B     1.184     0    0.056   1.120     4.005   85.952   76.463
LGA    V    78_B      V    78_B     0.614     0    0.089   0.118     1.063   88.214   90.544
LGA    L    79_B      L    79_B     0.586     0    0.075   0.093     0.899   92.857   91.667
LGA    I    80_B      I    80_B     0.532     0    0.027   1.279     3.775   92.857   79.345
LGA    G    81_B      G    81_B     0.745     0    0.171   0.171     1.406   88.214   88.214
LGA    D    82_B      D    82_B     1.022     0    0.058   0.356     1.381   88.214   84.821
LGA    S    83_B      S    83_B     1.048     0    0.025   0.780     3.271   88.214   80.714
LGA    I    84_B      I    84_B     0.371     0    0.075   1.233     2.829   95.238   81.548
LGA    H    85_B      H    85_B     0.556     0    0.052   1.190     5.321   97.619   68.143
LGA    R    86_B      R    86_B     0.527     0    0.041   0.617     1.825   92.857   93.203
LGA    I    87_B      I    87_B     0.793     0    0.082   1.341     4.518   88.214   75.595
LGA    T    88_B      T    88_B     0.710     0    0.017   1.144     3.255   95.238   84.830
LGA    L    89_B      L    89_B     0.862     0    0.036   0.916     2.768   88.214   81.786
LGA    E    90_B      E    90_B     1.132     0    0.156   0.660     2.162   83.690   78.783
LGA    S    91_B      S    91_B     1.493     0    0.061   0.666     4.397   75.119   67.063
LGA    T    92_B      T    92_B     3.016     0    0.140   1.156     6.545   52.262   44.150
LGA    R    93_B      R    93_B     2.303     0    0.175   1.704     6.872   64.762   53.160
LGA    S    94_B      S    94_B     1.992     0    0.032   0.698     3.893   66.786   63.889
LGA    M    95_B      M    95_B     2.478     0    0.138   0.902     3.389   64.762   60.060
LGA    P    96_B      P    96_B     1.923     0    0.074   0.190     2.336   77.381   71.973
LGA    P    97_B      P    97_B     0.789     0    0.122   0.130     1.164   88.214   85.306
LGA    R    98_B      R    98_B     0.916     0    0.049   1.497     4.656   90.476   74.242
LGA    A    99_B      A    99_B     0.960     0    0.031   0.046     0.960   90.476   90.476
LGA    A   100_B      A   100_B     0.774     0    0.040   0.058     0.885   90.476   90.476
LGA    L   101_B      L   101_B     0.377     0    0.040   0.963     3.556   97.619   83.750
LGA    D   102_B      D   102_B     0.195     0    0.040   0.251     1.485  100.000   93.036
LGA    D   103_B      D   103_B     0.205     0    0.024   1.244     4.872  100.000   79.821
LGA    A   104_B      A   104_B     0.233     0    0.077   0.104     0.348  100.000  100.000
LGA    L   105_B      L   105_B     0.268     0    0.055   0.791     2.313  100.000   89.821
LGA    R   106_B      R   106_B     0.257     0    0.031   0.894     3.003   97.619   88.788
LGA    L   107_B      L   107_B     0.336     0    0.096   0.231     1.425  100.000   91.845
LGA    G   108_B      G   108_B     0.341     0    0.032   0.032     0.650   97.619   97.619
LGA    R   109_B      R   109_B     0.480     0    0.020   1.428     6.386   97.619   72.554
LGA    E   110_B      E   110_B     0.474     0    0.032   0.413     1.501   95.238   92.751
LGA    F   111_B      F   111_B     0.725     0    0.056   0.103     0.990   90.476   90.476
LGA    V   112_B      V   112_B     0.956     0    0.062   0.831     2.328   90.476   83.129
LGA    E   113_B      E   113_B     1.010     0    0.034   0.702     2.415   85.952   81.587
LGA    S   114_B      S   114_B     0.906     0    0.040   0.047     1.461   88.214   85.952
LGA    R   115_B      R   115_B     0.305     0    0.035   1.597     4.848   97.619   77.619
LGA    Q   116_B      Q   116_B     1.075     0    0.027   1.090     2.643   83.690   75.979
LGA    P   117_B      P   117_B     1.304     0    0.065   0.138     1.562   85.952   82.789
LGA    V   118_B      V   118_B     0.748     0    0.035   1.025     3.556   88.214   76.395
LGA    F   119_B      F   119_B     1.187     0    0.029   0.226     3.775   85.952   66.580
LGA    E   120_B      E   120_B     0.432     0    0.113   0.895     5.601   90.595   65.767
LGA    S   121_B      S   121_B     1.092     0    0.106   0.657     2.607   77.381   76.190
LGA    F   122_B      F   122_B     2.975     0    0.441   0.436     6.990   60.952   41.602
LGA    R   123_B      R   123_B     3.327     0    0.278   1.234     9.005   53.571   31.645
LGA    D   124_B      D   124_B     3.863     0    0.569   0.664     6.349   35.476   45.417
LGA    R   125_B      R   125_B     5.655     0    0.059   1.161    10.996   27.857   12.597
LGA    T   126_B      T   126_B     2.508     0    0.033   1.031     3.228   60.952   57.279
LGA    K   127_B      K   127_B     2.903     0    0.070   0.932     4.111   64.881   59.471
LGA    F   128_B      F   128_B     2.637     0    0.106   1.236     6.071   53.571   46.580
LGA    T   129_B      T   129_B     1.285     0    0.128   1.012     2.592   79.286   75.646
LGA    F   130_B      F   130_B     1.180     0    0.071   1.221     4.839   85.952   70.952
LGA    V   131_B      V   131_B     0.763     0    0.123   0.150     1.773   86.071   82.857
LGA    T   132_B      T   132_B     0.526     0    0.010   1.132     2.575   95.238   85.918
LGA    C   133_B      C   133_B     0.596     0    0.066   0.762     2.529   92.857   86.508
LGA    S   134_B      S   134_B     0.578     0    0.050   0.451     1.180   90.476   88.968
LGA    E   135_B      E   135_B     1.012     0    0.056   0.760     2.517   85.952   79.788
LGA    V   136_B      V   136_B     0.975     0    0.028   0.084     1.408   88.214   85.306
LGA    Q   137_B      Q   137_B     0.776     0    0.101   0.428     2.280   88.214   84.709
LGA    S   138_B      S   138_B     0.924     0    0.106   0.677     2.339   85.952   83.175
LGA    W   139_B      W   139_B     0.699     0    0.062   1.186     7.258   90.476   64.694
LGA    G   140_B      G   140_B     0.499     0    0.142   0.142     1.353   88.333   88.333
LGA    L   141_B      L   141_B     1.875     0    0.058   1.177     5.023   75.000   63.214
LGA    Y   142_B      Y   142_B     1.574     0    0.027   0.165     1.699   72.857   84.762
LGA    G   143_B      G   143_B     1.668     0    0.039   0.039     1.803   72.857   72.857
LGA    D   144_B      D   144_B     2.275     0    0.028   0.204     2.994   64.762   60.952
LGA    Y   145_B      Y   145_B     1.673     0    0.043   0.650     3.776   77.143   63.532
LGA    H   146_B      H   146_B     1.371     0    0.046   1.126     2.956   79.286   77.333
LGA    E   147_B      E   147_B     1.512     0    0.045   1.275     3.478   79.286   72.381
LGA    R   148_B      R   148_B     1.180     0    0.030   0.830     5.213   81.429   58.788
LGA    L   149_B      L   149_B     1.222     0    0.044   1.296     4.231   81.429   66.131
LGA    R   150_B      R   150_B     1.536     0    0.058   1.205     5.971   79.286   63.203
LGA    Q   151_B      Q   151_B     1.337     0    0.042   0.802     5.340   81.429   64.021
LGA    H   152_B      H   152_B     1.028     0    0.034   1.272     4.038   81.429   68.333
LGA    Y   153_B      Y   153_B     1.145     0    0.060   0.263     2.469   81.429   73.730
LGA    D   154_B      D   154_B     1.657     0    0.162   0.856     5.378   75.000   58.452
LGA    Q   155_B      Q   155_B     1.308     0    0.131   0.130     1.982   81.429   78.571
LGA    D   156_B      D   156_B     0.897     0    0.031   0.728     1.995   88.214   86.012
LGA    A   157_B      A   157_B     0.871     0    0.031   0.053     0.930   90.476   90.476
LGA    A   158_B      A   158_B     0.721     0    0.035   0.061     0.808   90.476   92.381
LGA    F   159_B      F   159_B     0.774     0    0.045   0.169     1.367   88.214   86.364
LGA    R   160_B      R   160_B     1.119     0    0.065   1.294     4.025   81.429   67.143
LGA    G   161_B      G   161_B     0.952     0    0.051   0.051     0.966   90.476   90.476
LGA    S   162_B      S   162_B     0.686     0    0.048   0.060     1.174   88.214   88.968
LGA    V   163_B      V   163_B     1.296     0    0.038   1.094     3.756   79.286   68.095
LGA    E   164_B      E   164_B     1.639     0    0.163   0.861     2.489   81.548   75.873
LGA    A   165_B      A   165_B     1.121     0    0.090   0.101     1.587   83.690   81.524
LGA    F   166_B      F   166_B     2.124     0    0.037   0.261     4.842   68.810   52.338
LGA    G   167_B      G   167_B     1.353     0    0.049   0.049     1.953   77.143   77.143
LGA    R   168_B      R   168_B     1.788     0    0.032   1.172     3.688   67.262   61.732
LGA    D   169_B      D   169_B     3.126     0    0.144   0.849     5.123   47.381   44.881
LGA    Y   170_B      Y   170_B     3.922     0    0.018   0.311     5.024   39.167   39.008
LGA    H   171_B      H   171_B     4.043     0    0.123   0.188     6.496   30.952   53.048
LGA    G   172_B      G   172_B     6.267     0    0.090   0.090     8.343   14.524   14.524
LGA    K   173_B      K   173_B     8.071     4    0.259   0.255     8.852    5.119    3.069
LGA    R   174_B      R   174_B     9.848     0    0.498   1.161    11.496    0.595    0.563
LGA    S   175_B      S   175_B    10.311     0    0.074   0.753    12.375    0.119    0.397
LGA    E   176_B      E   176_B    13.210     4    0.063   0.065    15.120    0.000    0.000
LGA    G   177_B      G   177_B    16.953     0    0.188   0.188    17.261    0.000    0.000
LGA    V   178_B      V   178_B    14.631     0    0.167   0.183    15.062    0.000    0.000
LGA    S   179_B      S   179_B    16.315     0    0.133   0.123    17.862    0.000    0.000
LGA    A   180_B      A   180_B    14.713     0    0.619   0.589    15.476    0.000    0.000
LGA    Q   181_B      Q   181_B    14.205     0    0.641   1.189    19.651    0.000    0.000
LGA    E   182_B      E   182_B     7.010     0    0.622   1.313     9.680   14.524   22.434
LGA    L   183_B      L   183_B     4.284     0    0.049   0.971     6.594   37.619   33.690
LGA    D   184_B      D   184_B     5.270     0    0.097   0.847     7.188   27.500   20.000
LGA    H   185_B      H   185_B     5.262     0    0.037   1.336     6.091   31.667   24.714
LGA    R   186_B      R   186_B     3.145     0    0.032   1.149     9.901   53.810   32.987
LGA    I   187_B      I   187_B     2.322     0    0.025   1.371     4.281   60.952   52.321
LGA    R   188_B      R   188_B     3.725     0    0.043   1.133     9.716   50.119   25.498
LGA    K   189_B      K   189_B     2.432     0    0.029   1.641     5.828   69.048   50.794
LGA    S   190_B      S   190_B     0.550     0    0.035   0.644     2.310   83.690   83.254
LGA    S   191_B      S   191_B     2.219     0    0.050   0.666     4.901   66.786   58.095
LGA    E   192_B      E   192_B     2.125     0    0.076   0.425     3.298   68.810   65.820
LGA    Y   193_B      Y   193_B     1.477     0    0.023   0.237     1.689   75.000   80.040
LGA    F   194_B      F   194_B     2.073     0    0.031   1.122     3.928   66.786   63.723
LGA    L   195_B      L   195_B     2.030     0    0.024   0.140     2.241   68.810   67.798
LGA    E   196_B      E   196_B     1.522     0    0.053   0.716     2.207   72.857   75.767
LGA    E   197_B      E   197_B     1.540     0    0.029   1.173     4.193   75.000   70.847
LGA    F   198_B      F   198_B     2.198     0    0.095   0.875     4.430   70.833   61.472
LGA    A   199_B      A   199_B     1.529     0    0.037   0.075     1.746   72.857   74.571
LGA    I   200_B      I   200_B     1.596     0    0.028   0.467     2.383   70.952   74.167
LGA    F   201_B      F   201_B     2.499     0    0.019   0.525     2.905   60.952   60.606
LGA    A   202_B      A   202_B     2.704     0    0.021   0.030     2.895   57.143   57.143
LGA    C   203_B      C   203_B     2.633     0    0.107   0.184     2.833   60.952   59.683
LGA    L   204_B      L   204_B     2.110     0    0.109   0.959     5.891   68.810   57.024
LGA    Q   205_B      Q   205_B     2.095     0    0.085   1.201     3.647   66.786   60.741
LGA    R   206_B      R   206_B     2.064     0    0.180   1.663    12.614   72.976   34.892
LGA    T   207_B      T   207_B     1.205     0    0.307   1.123     4.917   83.810   72.177
LGA    G   208_B      G   208_B     2.501     0    0.252   0.252     2.501   67.024   67.024
LGA    S   209_B      S   209_B     1.686     0    0.308   0.646     3.498   68.929   66.429
LGA    P   210_B      P   210_B     2.388     0    0.059   0.316     3.022   68.810   66.122
LGA    V   211_B      V   211_B     0.498     0    0.115   1.156     2.741   97.619   87.279
LGA    M   212_B      M   212_B     0.296     0    0.061   0.854     4.762  100.000   80.714
LGA    V   213_B      V   213_B     0.447     0    0.078   0.157     0.571  100.000   97.279
LGA    Y   214_B      Y   214_B     0.617     0    0.064   0.082     0.752   90.476   93.651
LGA    P   215_B      P   215_B     0.570     0    0.450   0.644     2.107   84.048   88.163
LGA    G   216_B      G   216_B     0.704     0    0.090   0.090     1.260   85.952   85.952
LGA    S   217_B      S   217_B     0.848     0    0.060   0.566     1.698   90.476   87.540
LGA    F   218_B      F   218_B     0.970     0    0.052   0.277     2.103   88.214   80.823
LGA    S   219_B      S   219_B     0.565     0    0.145   0.597     2.414   90.476   86.190
LGA    T   220_B      T   220_B     0.660     0    0.067   1.038     2.403   92.857   85.646
LGA    L   221_B      L   221_B     0.495     0    0.093   1.081     4.535   97.619   78.333
LGA    S   222_B      S   222_B     0.919     0    0.064   0.102     1.470   90.476   87.460
LGA    E   223_B      E   223_B     0.846     0    0.055   0.922     2.753   90.476   81.799
LGA    I   224_B      I   224_B     0.358     0    0.054   0.739     1.408  100.000   91.845
LGA    A   225_B      A   225_B     0.701     0    0.065   0.066     1.413   90.595   88.762
LGA    Q   226_B      Q   226_B     1.579     0    0.216   1.177     3.335   77.143   66.138
LGA    G   227_B      G   227_B     1.516     0    0.097   0.097     1.963   75.000   75.000
LGA    K   228_B      K   228_B     1.987     0    0.179   1.153     4.747   66.905   51.534
LGA    H   229_B      H   229_B     1.837     0    0.388   1.195     3.813   75.000   70.095
LGA    P   230_B      P   230_B     3.126     0    0.080   0.094     5.565   53.571   43.469
LGA    G   231_B      G   231_B     4.184     0    0.646   0.646     4.804   40.476   40.476
LGA    A   232_B      A   232_B     4.069     0    0.041   0.066     4.796   41.786   39.714
LGA    P   233_B      P   233_B     4.749     0    0.165   0.293     7.222   39.048   30.544
LGA    E   234_B      E   234_B     3.674     0    0.135   1.217     7.582   45.119   29.206
LGA    E   235_B      E   235_B     5.200     0    0.603   0.954    10.345   30.476   16.243
LGA    L   236_B      L   236_B     7.963     0    0.020   0.862    13.002    9.405    4.702
LGA    R   237_B      R   237_B     8.739     0    0.029   1.720    15.647    6.905    2.511
LGA    D   238_B      D   238_B     4.643     0    0.682   0.575     8.241   47.857   33.988
LGA    L   239_B      L   239_B     2.558     0    0.414   1.358     4.956   59.524   58.036
LGA    I   240_B      I   240_B     0.861     0    0.154   1.322     4.459   86.071   73.214
LGA    V   241_B      V   241_B     0.661     0    0.113   1.124     3.746   92.857   80.136
LGA    V   242_B      V   242_B     0.706     0    0.067   0.128     1.850   88.214   82.857
LGA    S   243_B      S   243_B     0.408     0    0.195   0.697     2.159   97.619   90.952
LGA    L   244_B      L   244_B     0.809     0    0.090   0.832     2.769   88.214   81.964
LGA    H   245_B      H   245_B     0.599     0    0.129   1.151     7.107   92.857   61.095
LGA    L   246_B      L   246_B     1.494     0    0.045   0.902     5.513   75.119   59.226
LGA    K   247_B      K   247_B     1.591     0    0.125   1.259     3.030   75.000   69.471
LGA    G   248_B      G   248_B     2.043     0    0.622   0.622     4.352   59.881   59.881

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      226     904    904  100.00    1803   1803  100.00               226
SUMMARY(RMSD_GDC):     3.426          3.386                  3.884           71.964   65.708

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    200    1.76    75.000    71.128    10.738

LGA_LOCAL      RMSD:   1.763  Number of atoms:  200  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.610  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   3.426  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.244905 * X  +  -0.862528 * Y  +  -0.442794 * Z  +  60.412495
  Y_new =  -0.827422 * X  +  -0.423986 * Y  +   0.368251 * Z  +  60.569118
  Z_new =  -0.505366 * X  +   0.276191 * Y  +  -0.817511 * Z  + -39.601967 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.283026  0.529806  2.815789   [DEG:  -73.5120   30.3556  161.3328 ]
ZXZ: -2.264543  2.527872 -1.070631   [DEG: -129.7487  144.8364  -61.3427 ]
 
# END of job
