
#######################################################
#                                                     #
#                        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       4.68     4.68
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85      39_B - 123_B       2.00     4.93
  LCS_AVERAGE:     21.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      83_B - 117_B       0.97     8.60
  LONGEST_CONTINUOUS_SEGMENT:    35      84_B - 118_B       0.98     8.57
  LCS_AVERAGE:      9.45

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      3    5  226      0    3    4    5    5   11   18   50   72   87  117  147  176  201  204  211  214  217  219  221 
LCS_GDT     Y    24_B     Y    24_B      4    5  226      3    4    5    6    9   14   24   32   38   48   56   77  107  173  203  211  214  217  219  221 
LCS_GDT     K    25_B     K    25_B      4    5  226      3    4    5    9   14   29   48   78  123  156  182  193  203  206  209  211  214  217  219  221 
LCS_GDT     A    26_B     A    26_B      4    5  226      3    4    4    6    9   20   25   36   50   64  155  192  202  206  209  211  214  217  219  221 
LCS_GDT     E    27_B     E    27_B      4    7  226      3    4   13   30   55   94  152  166  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I    28_B     I    28_B      3    7  226      3    3    5   22   42   56   71  104  131  150  179  194  203  205  209  211  214  217  219  221 
LCS_GDT     G    29_B     G    29_B      4    7  226      3    5   10   22   42   56  101  127  158  180  190  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    30_B     S    30_B      4    7  226      3    7   17   26   53   74   93  119  144  176  190  198  203  206  209  211  214  217  219  221 
LCS_GDT     V    31_B     V    31_B      4    7  226      3   14   18   35   68   87  130  150  168  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    32_B     S    32_B      4   12  226      4    8   17   35   68   87  106  136  162  180  190  198  203  206  209  211  214  217  219  221 
LCS_GDT     P    33_B     P    33_B      4   60  226      3    3   10   39   92  116  141  159  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T    34_B     T    34_B      5   62  226      3    3    8   10   14   36  142  160  172  181  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T    35_B     T    35_B      6   63  226      3    5    9   11   31   59  147  161  172  181  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    36_B     S    36_B      6   78  226      3    9   41   94  134  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R    37_B     R    37_B      7   78  226      3   32   68  111  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D    38_B     D    38_B      7   78  226      3    5   47   87  119  147  156  168  174  181  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T    39_B     T    39_B      7   85  226      4    5    9   38   64  140  156  168  174  181  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F    40_B     F    40_B      7   85  226      9   42   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E    41_B     E    41_B      7   85  226     13   43   80  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D    42_B     D    42_B     32   85  226     10   49   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     H    43_B     H    43_B     32   85  226      4    6   49   88  121  143  156  167  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D    44_B     D    44_B     33   85  226      9   46   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T    45_B     T    45_B     33   85  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     C    46_B     C    46_B     33   85  226     12   55   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F    47_B     F    47_B     33   85  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L    48_B     L    48_B     33   85  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G    49_B     G    49_B     33   85  226     12   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V    50_B     V    50_B     33   85  226     16   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    51_B     S    51_B     33   85  226     16   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L    52_B     L    52_B     33   85  226     11   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E    53_B     E    53_B     33   85  226      9   51   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     N    54_B     N    54_B     33   85  226     24   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    55_B     S    55_B     33   85  226      7   43   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     N    56_B     N    56_B     33   85  226      7   35   77  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F    57_B     F    57_B     33   85  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     K    58_B     K    58_B     33   85  226     16   53   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     P    59_B     P    59_B     33   85  226     18   53   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A    60_B     A    60_B     33   85  226     18   53   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     K    61_B     K    61_B     33   85  226      9   49   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V    62_B     V    62_B     33   85  226     10   51   81  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D    63_B     D    63_B     33   85  226      9   38   74  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A    64_B     A    64_B     33   85  226      9   39   74  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     M    65_B     M    65_B     33   85  226      9   44   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A    66_B     A    66_B     33   85  226      9   44   81  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     K    67_B     K    67_B     33   85  226      9   35   73  110  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     W    68_B     W    68_B     33   85  226      9   39   77  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I    69_B     I    69_B     33   85  226     10   44   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    70_B     S    70_B     33   85  226      9   39   74  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R    71_B     R    71_B     33   85  226      9   35   73  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R    72_B     R    72_B     33   85  226     11   43   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F    73_B     F    73_B     33   85  226     18   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    74_B     S    74_B     33   85  226     13   38   80  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Q    75_B     Q    75_B     33   85  226     19   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     C    76_B     C    76_B     33   85  226     14   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T    77_B     T    77_B     17   85  226     12   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V    78_B     V    78_B     11   85  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L    79_B     L    79_B     11   85  226     27   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I    80_B     I    80_B     11   85  226     11   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G    81_B     G    81_B     11   85  226      9   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D    82_B     D    82_B     11   85  226      4   17   46   72  110  142  156  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    83_B     S    83_B     35   85  226      9   33   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I    84_B     I    84_B     35   85  226      9   21   38  109  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     H    85_B     H    85_B     35   85  226      9   37   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R    86_B     R    86_B     35   85  226     13   49   83  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I    87_B     I    87_B     35   85  226     13   49   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T    88_B     T    88_B     35   85  226     11   42   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L    89_B     L    89_B     35   85  226     13   38   80  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E    90_B     E    90_B     35   85  226     13   47   80  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    91_B     S    91_B     35   85  226     12   47   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T    92_B     T    92_B     35   85  226     11   47   83  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R    93_B     R    93_B     35   85  226      3   17   49   86  130  147  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S    94_B     S    94_B     35   85  226      4   28   64   95  133  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     M    95_B     M    95_B     35   85  226      8   28   61   95  130  147  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     P    96_B     P    96_B     35   85  226     13   27   60   94  130  147  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     P    97_B     P    97_B     35   85  226     12   27   60   94  130  147  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R    98_B     R    98_B     35   85  226     13   27   53   80  129  147  155  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A    99_B     A    99_B     35   85  226     13   27   60   91  130  147  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   100_B     A   100_B     35   85  226     13   32   64  102  135  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   101_B     L   101_B     35   85  226     13   27   52   94  130  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   102_B     D   102_B     35   85  226     13   27   54   87  130  147  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   103_B     D   103_B     35   85  226     13   31   64   97  130  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   104_B     A   104_B     35   85  226     16   47   83  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   105_B     L   105_B     35   85  226     13   26   61   97  135  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   106_B     R   106_B     35   85  226     13   31   71   97  134  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   107_B     L   107_B     35   85  226     13   47   83  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   108_B     G   108_B     35   85  226     13   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   109_B     R   109_B     35   85  226     13   49   83  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   110_B     E   110_B     35   85  226     13   38   83  112  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   111_B     F   111_B     35   85  226     13   45   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   112_B     V   112_B     35   85  226     13   53   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   113_B     E   113_B     35   85  226     13   55   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   114_B     S   114_B     35   85  226      9   24   46   95  121  149  156  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   115_B     R   115_B     35   85  226      7   14   33   73  115  145  156  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Q   116_B     Q   116_B     35   85  226     11   32   74  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     P   117_B     P   117_B     35   85  226      7   44   76  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   118_B     V   118_B     35   85  226     11   28   65  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   119_B     F   119_B     27   85  226      7   22   56   99  130  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   120_B     E   120_B     27   85  226      7   23   73  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   121_B     S   121_B      9   85  226      8   39   81  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   122_B     F   122_B      9   85  226     10   39   73  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   123_B     R   123_B      9   85  226      6    8   64  110  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   124_B     D   124_B      3   81  226      3    4    5   10   48   95  139  152  169  179  188  197  203  205  209  211  214  217  219  221 
LCS_GDT     R   125_B     R   125_B      3   46  226      3    4    4    4   11   13   34   53   84  102  117  172  193  202  208  210  212  214  217  221 
LCS_GDT     T   126_B     T   126_B      3    5  226      3    3    3    6    7   13   38   61   84  102  117  179  195  202  208  210  212  214  217  220 
LCS_GDT     K   127_B     K   127_B      3    7  226      3    3    3    5   16   48   60   96  129  161  177  190  198  204  209  211  214  217  219  221 
LCS_GDT     F   128_B     F   128_B      3   41  226      3    3    3   29   42   55   82  107  139  167  175  190  198  205  209  211  214  217  219  221 
LCS_GDT     T   129_B     T   129_B      9   42  226     11   44   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   130_B     F   130_B      9   42  226     11   53   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   131_B     V   131_B      9   42  226     11   40   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T   132_B     T   132_B      9   42  226     11   39   75  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     C   133_B     C   133_B      9   42  226     10   39   72  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   134_B     S   134_B     32   42  226     10   39   72  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   135_B     E   135_B     32   42  226     10   39   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   136_B     V   136_B     32   42  226      7   44   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Q   137_B     Q   137_B     32   42  226      5   35   73  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   138_B     S   138_B     32   42  226      4   14   73  100  132  144  156  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     W   139_B     W   139_B     32   42  226     18   53   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   140_B     G   140_B     32   42  226     12   53   76  113  134  144  156  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   141_B     L   141_B     32   42  226     18   53   82  113  137  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Y   142_B     Y   142_B     32   42  226     18   37   82  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   143_B     G   143_B     32   42  226     16   53   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   144_B     D   144_B     32   42  226     16   53   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Y   145_B     Y   145_B     32   42  226     17   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     H   146_B     H   146_B     32   42  226     18   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   147_B     E   147_B     32   42  226     18   53   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   148_B     R   148_B     32   42  226     18   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   149_B     L   149_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   150_B     R   150_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Q   151_B     Q   151_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     H   152_B     H   152_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Y   153_B     Y   153_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   154_B     D   154_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Q   155_B     Q   155_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   156_B     D   156_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   157_B     A   157_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   158_B     A   158_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   159_B     F   159_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   160_B     R   160_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   161_B     G   161_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   162_B     S   162_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   163_B     V   163_B     32   42  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   164_B     E   164_B     32   42  226     27   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   165_B     A   165_B     32   42  226     18   48   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   166_B     F   166_B     31   42  226      5   12   39   65  115  144  156  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   167_B     G   167_B     30   42  226      7   12   24   47   82  137  153  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   168_B     R   168_B     29   42  226      7   12   24   42   64  108  148  166  174  181  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   169_B     D   169_B     13   42  226      7   12   14   23   40   58   68  130  164  176  189  198  203  206  209  211  214  217  219  221 
LCS_GDT     Y   170_B     Y   170_B     13   42  226      6   12   14   21   32   47   60   71  115  163  179  192  202  206  209  211  214  217  219  221 
LCS_GDT     H   171_B     H   171_B     13   39  226      6   11   17   27   42   58   67   92  146  174  187  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   172_B     G   172_B     13   37  226      7   12   14   18   29   43   58   68   94  139  179  192  202  206  209  211  214  217  219  221 
LCS_GDT     K   173_B     K   173_B     13   30  226      7   12   14   17   20   27   38   50   61   72   87  123  160  191  202  211  214  217  219  221 
LCS_GDT     R   174_B     R   174_B     13   27  226      7   12   14   17   20   27   36   46   55   64   73   87  109  145  175  201  212  217  219  221 
LCS_GDT     S   175_B     S   175_B     13   19  226      6   12   14   17   19   25   39   50   58   64   79  101  136  168  201  211  214  217  219  221 
LCS_GDT     E   176_B     E   176_B     13   18  226      6   12   14   16   19   23   27   34   45   53   62   70   81   96  112  136  173  203  218  221 
LCS_GDT     G   177_B     G   177_B      5   17  226      3    4    7   12   18   23   27   30   38   47   61   70   75   85  103  120  141  161  187  214 
LCS_GDT     V   178_B     V   178_B      5   15  226      3    4    5    6   10   16   20   25   33   44   58   67   84   97  118  145  163  215  219  221 
LCS_GDT     S   179_B     S   179_B      5   15  226      3    4    5    6   12   19   25   30   35   44   53   66   77   93  113  136  161  203  219  221 
LCS_GDT     A   180_B     A   180_B      5    6  226      3    4   10   15   17   21   25   28   36   48   68   90  134  173  204  211  214  217  219  221 
LCS_GDT     Q   181_B     Q   181_B      5    6  226      3    4    5   12   18   23   27   33   41   55  112  135  158  194  204  211  214  217  219  221 
LCS_GDT     E   182_B     E   182_B      3   17  226      3    3    3    5   18   26   41   61   87  155  179  192  203  206  209  211  214  217  219  221 
LCS_GDT     L   183_B     L   183_B     17   22  226     10   15   56  109  136  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     D   184_B     D   184_B     17   22  226     10   21   66  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     H   185_B     H   185_B     17   22  226     10   32   80  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   186_B     R   186_B     17   22  226     10   46   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I   187_B     I   187_B     17   22  226     10   45   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     R   188_B     R   188_B     17   22  226     16   52   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     K   189_B     K   189_B     17   22  226     27   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   190_B     S   190_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   191_B     S   191_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   192_B     E   192_B     17   22  226      9   55   84  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Y   193_B     Y   193_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   194_B     F   194_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   195_B     L   195_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   196_B     E   196_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   197_B     E   197_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   198_B     F   198_B     17   22  226     28   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   199_B     A   199_B     17   22  226      6   46   82  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I   200_B     I   200_B     14   22  226      6   16   39   71  122  143  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   201_B     F   201_B     14   22  226      7   31   60   80  126  145  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   202_B     A   202_B     14   22  226      6   34   61   92  126  146  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     C   203_B     C   203_B     14   22  226      6   17   39   66  102  128  147  161  172  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   204_B     L   204_B      3   22  226     10   40   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Q   205_B     Q   205_B      3    5  226      4    8   10   48   73  106  128  159  171  178  191  197  203  206  209  211  214  217  219  221 
LCS_GDT     R   206_B     R   206_B      4   25  226      4   13   42   58   94  136  156  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T   207_B     T   207_B      4   25  226      4    6   30   67   97  122  149  164  173  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   208_B     G   208_B      4   25  226      4    4   24   63  106  142  153  165  174  182  190  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   209_B     S   209_B      4   25  226      4   19   37   53   65  102  144  158  170  180  190  198  203  206  209  211  214  217  219  221 
LCS_GDT     P   210_B     P   210_B     16   25  226      5   23   72  113  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   211_B     V   211_B     19   25  226     27   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     M   212_B     M   212_B     19   25  226     18   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   213_B     V   213_B     19   25  226      7   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Y   214_B     Y   214_B     19   25  226     27   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     P   215_B     P   215_B     19   25  226     16   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   216_B     G   216_B     19   25  226     12   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   217_B     S   217_B     19   25  226      4   29   77  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     F   218_B     F   218_B     19   25  226      8   32   76  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   219_B     S   219_B     19   25  226     10   45   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     T   220_B     T   220_B     19   25  226     10   51   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   221_B     L   221_B     19   25  226      9   48   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   222_B     S   222_B     19   25  226      9   30   80  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   223_B     E   223_B     19   25  226     18   48   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I   224_B     I   224_B     19   25  226     27   55   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   225_B     A   225_B     19   25  226     17   38   85  114  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     Q   226_B     Q   226_B     19   25  226      9   32   80  103  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   227_B     G   227_B     19   25  226      9   46   83  112  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     K   228_B     K   228_B     19   25  226      9   32   75  103  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     H   229_B     H   229_B     19   25  226     10   32   83  112  138  149  157  168  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     P   230_B     P   230_B     15   25  226      3   14   31   79  115  143  156  168  172  181  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     G   231_B     G   231_B      5   25  226      3    4    9   14   44  106  131  163  174  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     A   232_B     A   232_B      5   23  226      3    4    5   28   57   92  132  157  172  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     P   233_B     P   233_B      5   19  226      3    4    5   10   47   63  106  150  168  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   234_B     E   234_B      5   19  226      4    4    5   15   59   86  123  150  172  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     E   235_B     E   235_B      5   19  226      4    4    5   11   23   41   85  125  155  172  189  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   236_B     L   236_B      5    5  226      4    4    5    5    5    7   44   56   77  103  128  153  183  196  208  210  212  217  219  221 
LCS_GDT     R   237_B     R   237_B      5    6  226      4    4    5    5    7   10   11   20   83  136  179  193  202  206  209  211  214  217  219  221 
LCS_GDT     D   238_B     D   238_B      7    9  226      3    5    9   11   21   42   54  147  168  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   239_B     L   239_B      7    9  226      3    5   10   36   67   96  130  147  168  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     I   240_B     I   240_B      7    9  226      4    8   22   36   58   93  117  147  164  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   241_B     V   241_B      7    9  226      4    8   13   36   58   89  115  132  162  182  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     V   242_B     V   242_B      7    9  226      4    8   10   33   58   89  115  147  162  181  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     S   243_B     S   243_B      7    9  226      4    8   10   10   30   62  100  119  142  173  190  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   244_B     L   244_B      7    9  226      3    8   10   10   30   62   91  132  162  180  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     H   245_B     H   245_B      7    9  226      3    8   10   10   18   32   54  111  144  176  191  198  203  206  209  211  214  217  219  221 
LCS_GDT     L   246_B     L   246_B      3    9  226      3    3    5    5   10   10   21   56   79  158  181  196  202  206  208  211  212  216  218  220 
LCS_GDT     K   247_B     K   247_B      3    4  226      3    7   50   85  107  128  147  165  172  182  191  197  202  206  209  211  212  216  218  220 
LCS_GDT     G   248_B     G   248_B      3    4  226      3    3    5   12   20   66   73  109  135  149  161  182  188  200  202  204  207  210  213  215 
LCS_AVERAGE  LCS_A:  43.80  (   9.45   21.97  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     28     55     85    114    138    149    157    168    174    182    191    198    203    206    209    211    214    217    219    221 
GDT PERCENT_AT  12.39  24.34  37.61  50.44  61.06  65.93  69.47  74.34  76.99  80.53  84.51  87.61  89.82  91.15  92.48  93.36  94.69  96.02  96.90  97.79
GDT RMS_LOCAL    0.35   0.64   1.06   1.31   1.55   1.72   1.89   2.06   2.24   2.52   2.72   2.95   3.14   3.25   3.34   3.42   3.84   4.04   4.26   4.42
GDT RMS_ALL_AT   5.41   5.33   5.16   5.10   5.03   4.98   4.97   4.97   4.93   4.93   4.91   4.86   4.81   4.81   4.80   4.79   4.70   4.69   4.68   4.68

# Checking swapping
#   possible swapping detected:  E    27_B      E    27_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  E    53_B      E    53_B
#   possible swapping detected:  F    57_B      F    57_B
#   possible swapping detected:  F    73_B      F    73_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  F   111_B      F   111_B
#   possible swapping detected:  F   119_B      F   119_B
#   possible swapping detected:  F   128_B      F   128_B
#   possible swapping detected:  F   130_B      F   130_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   170_B      Y   170_B
#   possible swapping detected:  Y   193_B      Y   193_B
#   possible swapping detected:  E   197_B      E   197_B
#   possible swapping detected:  F   218_B      F   218_B
#   possible swapping detected:  E   234_B      E   234_B
#   possible swapping detected:  E   235_B      E   235_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    23_B      R    23_B    13.701     0    0.080   1.322    16.201    0.000    6.234
LGA    Y    24_B      Y    24_B    13.816     0    0.137   1.017    23.993    0.119    0.040
LGA    K    25_B      K    25_B     8.647     0    0.043   0.624    10.809    1.071    9.735
LGA    A    26_B      A    26_B     9.004     0    0.133   0.155    10.121   11.429    9.143
LGA    E    27_B      E    27_B     5.785     0    0.212   1.144    10.252   13.690   10.582
LGA    I    28_B      I    28_B     9.083     0    0.597   0.597    12.362    3.929    1.964
LGA    G    29_B      G    29_B     7.810     0    0.603   0.603     9.318    4.524    4.524
LGA    S    30_B      S    30_B     7.967     0    0.045   0.551     8.839    9.405    7.540
LGA    V    31_B      V    31_B     6.793     0    0.096   0.108     7.934   10.119   13.741
LGA    S    32_B      S    32_B     7.514     0    0.032   0.056     9.000   10.952    8.571
LGA    P    33_B      P    33_B     5.856     0    0.057   0.128     8.867   26.429   18.095
LGA    T    34_B      T    34_B     4.796     0    0.057   0.236     8.496   30.357   21.361
LGA    T    35_B      T    35_B     4.644     0    0.257   0.990     5.466   37.381   33.333
LGA    S    36_B      S    36_B     2.563     0    0.301   0.551     3.203   59.167   61.032
LGA    R    37_B      R    37_B     1.898     0    0.055   1.373    11.032   68.810   40.736
LGA    D    38_B      D    38_B     3.763     0    0.348   0.534     7.791   45.000   29.881
LGA    T    39_B      T    39_B     3.789     0    0.180   0.176     6.547   50.119   38.027
LGA    F    40_B      F    40_B     2.115     0    0.059   0.830     3.092   65.119   66.364
LGA    E    41_B      E    41_B     2.369     0    0.218   0.568     7.084   70.952   46.455
LGA    D    42_B      D    42_B     1.575     0    0.073   0.152     3.627   63.690   63.393
LGA    H    43_B      H    43_B     4.404     0    0.523   1.107    11.617   52.262   23.286
LGA    D    44_B      D    44_B     1.251     0    0.256   1.325     6.378   77.262   55.774
LGA    T    45_B      T    45_B     1.747     0    0.098   1.167     3.866   70.833   64.218
LGA    C    46_B      C    46_B     1.859     0    0.103   0.666     3.061   70.833   67.698
LGA    F    47_B      F    47_B     1.081     0    0.095   1.160     5.728   83.690   64.026
LGA    L    48_B      L    48_B     0.849     0    0.045   0.901     3.641   90.476   78.155
LGA    G    49_B      G    49_B     1.013     0    0.033   0.033     1.161   85.952   85.952
LGA    V    50_B      V    50_B     1.090     0    0.082   0.930     3.016   85.952   80.816
LGA    S    51_B      S    51_B     0.712     0    0.047   0.679     2.729   90.476   84.921
LGA    L    52_B      L    52_B     0.865     0    0.046   0.128     1.042   90.476   89.345
LGA    E    53_B      E    53_B     1.206     0    0.033   0.625     2.623   81.429   73.175
LGA    N    54_B      N    54_B     0.986     0    0.111   0.277     1.943   83.810   82.679
LGA    S    55_B      S    55_B     1.995     0    0.049   0.164     2.588   66.905   70.317
LGA    N    56_B      N    56_B     2.239     0    0.179   1.027     3.468   62.857   60.119
LGA    F    57_B      F    57_B     1.225     0    0.325   0.326     2.316   75.119   82.511
LGA    K    58_B      K    58_B     1.749     0    0.120   0.700     2.599   72.976   75.026
LGA    P    59_B      P    59_B     1.909     0    0.052   0.082     2.217   72.857   69.388
LGA    A    60_B      A    60_B     2.012     0    0.087   0.089     2.387   66.786   68.000
LGA    K    61_B      K    61_B     1.911     0    0.057   1.205     5.506   68.810   60.317
LGA    V    62_B      V    62_B     2.018     0    0.045   0.933     2.899   64.762   63.741
LGA    D    63_B      D    63_B     2.528     0    0.013   0.608     4.107   59.048   56.548
LGA    A    64_B      A    64_B     2.427     0    0.083   0.084     2.443   64.762   64.762
LGA    M    65_B      M    65_B     1.666     0    0.036   1.104     3.029   75.000   71.071
LGA    A    66_B      A    66_B     1.731     0    0.039   0.075     2.209   72.857   71.238
LGA    K    67_B      K    67_B     2.567     0    0.027   1.164     6.345   62.857   43.386
LGA    W    68_B      W    68_B     2.262     0    0.083   0.240     2.390   64.762   64.762
LGA    I    69_B      I    69_B     1.176     0    0.075   1.424     4.143   81.548   73.929
LGA    S    70_B      S    70_B     1.693     0    0.053   0.131     2.673   75.000   69.048
LGA    R    71_B      R    71_B     2.484     0    0.162   1.528     4.034   62.857   61.299
LGA    R    72_B      R    72_B     2.325     0    0.061   1.904     6.108   62.857   49.481
LGA    F    73_B      F    73_B     1.504     0    0.091   0.259     2.264   79.286   73.766
LGA    S    74_B      S    74_B     2.230     0    0.223   0.649     3.436   66.786   62.381
LGA    Q    75_B      Q    75_B     1.559     0    0.103   1.181     3.090   77.143   71.429
LGA    C    76_B      C    76_B     1.183     0    0.148   0.633     3.098   81.429   76.190
LGA    T    77_B      T    77_B     1.432     0    0.154   0.924     3.420   81.429   73.333
LGA    V    78_B      V    78_B     0.516     0    0.126   1.057     2.399   88.214   82.993
LGA    L    79_B      L    79_B     0.683     0    0.121   0.314     0.950   90.476   92.857
LGA    I    80_B      I    80_B     0.945     0    0.197   1.129     4.376   86.071   73.095
LGA    G    81_B      G    81_B     0.521     0    0.354   0.354     2.881   79.881   79.881
LGA    D    82_B      D    82_B     3.827     0    0.472   1.094     7.291   61.429   38.929
LGA    S    83_B      S    83_B     1.249     0    0.072   0.120     2.881   77.143   71.746
LGA    I    84_B      I    84_B     2.428     0    0.042   1.420     7.720   66.786   52.321
LGA    H    85_B      H    85_B     1.412     0    0.029   0.373     2.320   83.810   74.810
LGA    R    86_B      R    86_B     0.935     0    0.036   1.109     6.332   88.214   66.537
LGA    I    87_B      I    87_B     0.929     0    0.087   0.722     3.860   90.476   83.452
LGA    T    88_B      T    88_B     1.241     0    0.016   1.075     2.420   83.690   76.735
LGA    L    89_B      L    89_B     1.544     0    0.039   0.106     2.040   75.000   72.917
LGA    E    90_B      E    90_B     1.408     0    0.079   0.666     1.917   81.429   78.571
LGA    S    91_B      S    91_B     0.791     0    0.111   0.650     1.980   85.952   84.524
LGA    T    92_B      T    92_B     1.157     0    0.656   1.268     3.204   83.690   78.231
LGA    R    93_B      R    93_B     3.896     0    0.104   1.312    11.101   45.000   24.762
LGA    S    94_B      S    94_B     2.980     0    0.184   0.161     3.781   50.119   53.730
LGA    M    95_B      M    95_B     3.392     0    0.020   0.837     7.606   51.786   42.321
LGA    P    96_B      P    96_B     3.848     0    0.054   0.405     5.161   43.333   39.116
LGA    P    97_B      P    97_B     3.696     0    0.098   0.326     3.925   45.000   44.286
LGA    R    98_B      R    98_B     4.363     0    0.050   0.904    10.373   37.143   20.779
LGA    A    99_B      A    99_B     4.043     0    0.032   0.044     4.248   43.571   42.286
LGA    A   100_B      A   100_B     2.420     0    0.024   0.040     2.951   62.857   63.238
LGA    L   101_B      L   101_B     2.906     0    0.050   1.431     5.638   55.357   44.345
LGA    D   102_B      D   102_B     4.050     0    0.042   0.938     7.687   43.452   29.107
LGA    D   103_B      D   103_B     2.907     0    0.052   0.870     6.226   61.190   44.940
LGA    A   104_B      A   104_B     1.289     0    0.049   0.076     1.767   79.286   79.714
LGA    L   105_B      L   105_B     2.461     0    0.045   1.138     5.257   64.762   53.571
LGA    R   106_B      R   106_B     2.781     0    0.017   1.230     6.098   60.952   51.558
LGA    L   107_B      L   107_B     1.561     0    0.072   0.664     3.450   81.667   74.464
LGA    G   108_B      G   108_B     0.515     0    0.035   0.035     0.789   92.857   92.857
LGA    R   109_B      R   109_B     1.275     0    0.026   1.897     9.767   81.429   42.468
LGA    E   110_B      E   110_B     1.874     0    0.070   0.658     6.567   75.000   47.884
LGA    F   111_B      F   111_B     1.457     0    0.029   0.248     3.514   79.286   66.234
LGA    V   112_B      V   112_B     0.841     0    0.052   0.800     2.378   88.214   81.837
LGA    E   113_B      E   113_B     1.288     0    0.023   0.835     6.731   77.381   55.132
LGA    S   114_B      S   114_B     3.096     0    0.094   0.101     4.142   50.476   47.063
LGA    R   115_B      R   115_B     3.717     0    0.180   1.102    10.201   46.667   26.147
LGA    Q   116_B      Q   116_B     2.721     0    0.030   1.258     5.098   60.952   55.450
LGA    P   117_B      P   117_B     2.150     0    0.082   0.181     2.763   66.786   63.741
LGA    V   118_B      V   118_B     2.676     0    0.050   0.092     3.501   57.143   53.129
LGA    F   119_B      F   119_B     3.142     0    0.036   0.305     5.078   53.571   44.545
LGA    E   120_B      E   120_B     2.260     0    0.107   0.391     3.246   66.786   63.228
LGA    S   121_B      S   121_B     1.781     0    0.061   0.650     1.899   72.857   72.857
LGA    F   122_B      F   122_B     1.924     0    0.169   0.294     3.742   68.810   57.576
LGA    R   123_B      R   123_B     2.441     0    0.204   1.051     6.463   66.786   45.887
LGA    D   124_B      D   124_B     5.897     0    0.667   0.611     9.041   16.786   12.798
LGA    R   125_B      R   125_B    10.683     0    0.657   1.444    15.901    0.833    0.303
LGA    T   126_B      T   126_B     9.826     0    0.638   0.861    13.721    0.833    0.476
LGA    K   127_B      K   127_B     8.290     0    0.038   0.497     8.785    7.024    9.894
LGA    F   128_B      F   128_B     7.997     0    0.564   0.706    17.850   11.667    4.242
LGA    T   129_B      T   129_B     1.313     0    0.642   1.302     3.449   75.833   68.027
LGA    F   130_B      F   130_B     1.004     0    0.015   1.383     7.304   81.429   55.455
LGA    V   131_B      V   131_B     0.990     0    0.168   0.221     1.074   88.214   89.184
LGA    T   132_B      T   132_B     1.887     0    0.053   1.071     3.867   72.857   63.265
LGA    C   133_B      C   133_B     2.134     0    0.046   0.108     2.357   66.786   67.460
LGA    S   134_B      S   134_B     2.201     0    0.076   0.471     3.520   68.810   63.889
LGA    E   135_B      E   135_B     1.327     0    0.121   1.224     5.718   81.548   65.238
LGA    V   136_B      V   136_B     1.841     0    0.176   0.954     4.187   68.810   64.286
LGA    Q   137_B      Q   137_B     2.642     0    0.101   0.565     5.966   55.476   45.132
LGA    S   138_B      S   138_B     3.611     0    0.129   0.566     5.215   46.667   41.667
LGA    W   139_B      W   139_B     2.517     0    0.054   1.250     6.560   57.143   44.592
LGA    G   140_B      G   140_B     3.444     0    0.024   0.024     3.444   50.000   50.000
LGA    L   141_B      L   141_B     3.060     0    0.036   1.191     4.625   53.571   48.631
LGA    Y   142_B      Y   142_B     2.825     0    0.034   0.168     3.179   59.048   53.611
LGA    G   143_B      G   143_B     2.564     0    0.059   0.059     2.806   60.952   60.952
LGA    D   144_B      D   144_B     2.159     0    0.034   0.180     3.006   68.810   64.940
LGA    Y   145_B      Y   145_B     1.704     0    0.051   0.611     3.417   72.976   68.532
LGA    H   146_B      H   146_B     1.582     0    0.036   1.101     3.310   72.857   68.190
LGA    E   147_B      E   147_B     1.965     0    0.049   0.940     6.909   75.000   53.175
LGA    R   148_B      R   148_B     1.237     0    0.038   0.703     2.341   83.810   75.411
LGA    L   149_B      L   149_B     0.670     0    0.038   1.140     2.764   90.476   85.476
LGA    R   150_B      R   150_B     1.273     0    0.040   1.105     3.208   81.429   71.861
LGA    Q   151_B      Q   151_B     1.333     0    0.064   0.973     6.328   85.952   63.492
LGA    H   152_B      H   152_B     0.304     0    0.046   1.393     4.951   92.857   70.048
LGA    Y   153_B      Y   153_B     0.947     0    0.061   0.261     1.608   88.214   82.262
LGA    D   154_B      D   154_B     1.118     0    0.145   0.368     1.828   83.690   81.488
LGA    Q   155_B      Q   155_B     1.212     0    0.181   0.467     1.757   79.286   82.540
LGA    D   156_B      D   156_B     1.160     0    0.094   0.916     3.887   79.286   73.571
LGA    A   157_B      A   157_B     1.504     0    0.034   0.052     1.574   79.286   78.000
LGA    A   158_B      A   158_B     1.368     0    0.031   0.049     1.397   81.429   81.429
LGA    F   159_B      F   159_B     1.181     0    0.042   0.287     1.554   81.429   80.649
LGA    R   160_B      R   160_B     1.177     0    0.043   1.116     5.788   81.429   65.411
LGA    G   161_B      G   161_B     1.315     0    0.037   0.037     1.420   81.429   81.429
LGA    S   162_B      S   162_B     1.199     0    0.031   0.654     2.114   81.429   78.651
LGA    V   163_B      V   163_B     1.082     0    0.034   1.059     3.219   83.690   75.850
LGA    E   164_B      E   164_B     1.052     0    0.173   0.715     4.564   79.286   68.730
LGA    A   165_B      A   165_B     1.353     0    0.077   0.089     2.649   73.214   76.667
LGA    F   166_B      F   166_B     3.313     0    0.032   1.601     8.863   47.381   28.139
LGA    G   167_B      G   167_B     3.967     0    0.074   0.074     5.403   39.167   39.167
LGA    R   168_B      R   168_B     4.863     0    0.031   1.560     6.855   25.833   30.260
LGA    D   169_B      D   169_B     6.408     0    0.119   0.908     8.301   13.333   15.298
LGA    Y   170_B      Y   170_B     7.383     0    0.029   1.421    14.117    8.333    4.524
LGA    H   171_B      H   171_B     7.320     0    0.170   1.239     9.756    6.667   27.381
LGA    G   172_B      G   172_B     9.257     0    0.072   0.072    11.628    1.548    1.548
LGA    K   173_B      K   173_B    11.510     4    0.222   0.216    12.541    0.000    0.000
LGA    R   174_B      R   174_B    13.140     0    0.485   1.039    13.770    0.000    0.000
LGA    S   175_B      S   175_B    13.767     0    0.507   0.605    16.930    0.000    0.000
LGA    E   176_B      E   176_B    17.567     4    0.142   0.137    17.773    0.000    0.000
LGA    G   177_B      G   177_B    19.026     0    0.697   0.697    19.026    0.000    0.000
LGA    V   178_B      V   178_B    16.674     0    0.174   1.104    17.458    0.000    0.000
LGA    S   179_B      S   179_B    17.056     0    0.052   0.616    20.297    0.000    0.000
LGA    A   180_B      A   180_B    15.080     0    0.663   0.636    16.197    0.000    0.000
LGA    Q   181_B      Q   181_B    13.743     0    0.632   1.270    16.407    0.000    0.000
LGA    E   182_B      E   182_B     9.068     0    0.652   1.470    14.646    7.024    3.122
LGA    L   183_B      L   183_B     2.339     0    0.609   0.613     5.767   58.452   52.440
LGA    D   184_B      D   184_B     1.803     0    0.066   0.835     3.494   72.857   67.024
LGA    H   185_B      H   185_B     1.351     0    0.023   1.373     6.614   83.690   57.429
LGA    R   186_B      R   186_B     1.173     0    0.039   0.725     3.819   81.429   71.861
LGA    I   187_B      I   187_B     1.609     0    0.027   1.057     5.380   79.286   67.381
LGA    R   188_B      R   188_B     0.939     0    0.017   1.686     4.321   83.690   69.524
LGA    K   189_B      K   189_B     1.222     0    0.028   1.170     6.112   79.286   68.466
LGA    S   190_B      S   190_B     1.758     0    0.052   0.679     2.707   72.857   70.238
LGA    S   191_B      S   191_B     1.855     0    0.047   0.726     4.589   72.857   64.603
LGA    E   192_B      E   192_B     1.785     0    0.031   1.008     2.335   75.000   75.820
LGA    Y   193_B      Y   193_B     1.438     0    0.030   0.115     1.836   81.548   78.611
LGA    F   194_B      F   194_B     0.912     0    0.031   1.465     6.605   88.214   61.558
LGA    L   195_B      L   195_B     0.741     0    0.026   0.857     2.440   90.476   83.929
LGA    E   196_B      E   196_B     0.942     0    0.096   0.662     3.261   90.476   77.302
LGA    E   197_B      E   197_B     0.560     0    0.037   0.594     1.555   95.238   90.635
LGA    F   198_B      F   198_B     0.240     0    0.033   1.223     5.378   92.976   65.931
LGA    A   199_B      A   199_B     2.143     0    0.048   0.089     3.173   63.333   62.095
LGA    I   200_B      I   200_B     3.649     0    0.032   1.178     7.745   45.238   33.750
LGA    F   201_B      F   201_B     3.485     0    0.028   0.881     4.312   45.119   53.030
LGA    A   202_B      A   202_B     3.546     0    0.050   0.052     4.739   40.476   43.810
LGA    C   203_B      C   203_B     4.977     0    0.582   0.878     8.251   43.929   32.302
LGA    L   204_B      L   204_B     1.385     0    0.638   1.401     2.680   79.881   75.714
LGA    Q   205_B      Q   205_B     5.473     0    0.594   1.257    13.999   33.452   15.397
LGA    R   206_B      R   206_B     4.070     0    0.610   1.083     7.331   34.405   28.745
LGA    T   207_B      T   207_B     5.241     0    0.283   0.251     7.734   27.976   20.816
LGA    G   208_B      G   208_B     4.579     0    0.615   0.615     4.807   32.857   32.857
LGA    S   209_B      S   209_B     5.339     0    0.287   0.784     9.032   29.286   20.556
LGA    P   210_B      P   210_B     2.456     0    0.705   0.681     3.699   70.833   65.442
LGA    V   211_B      V   211_B     1.238     0    0.074   0.083     2.010   77.143   74.150
LGA    M   212_B      M   212_B     0.816     0    0.045   0.398     2.560   85.952   82.917
LGA    V   213_B      V   213_B     1.320     0    0.026   1.074     3.756   81.429   74.762
LGA    Y   214_B      Y   214_B     1.207     0    0.131   0.162     1.271   83.690   82.183
LGA    P   215_B      P   215_B     1.416     0    0.397   0.604     2.611   71.071   73.061
LGA    G   216_B      G   216_B     1.362     0    0.084   0.084     1.524   79.286   79.286
LGA    S   217_B      S   217_B     1.952     0    0.041   0.667     2.638   72.857   68.889
LGA    F   218_B      F   218_B     1.777     0    0.054   0.126     2.218   70.833   66.970
LGA    S   219_B      S   219_B     1.086     0    0.026   0.701     2.522   81.429   78.889
LGA    T   220_B      T   220_B     0.782     0    0.044   1.080     3.149   85.952   77.347
LGA    L   221_B      L   221_B     1.448     0    0.083   0.168     1.848   79.286   76.071
LGA    S   222_B      S   222_B     2.001     0    0.035   0.084     2.921   70.833   66.270
LGA    E   223_B      E   223_B     1.416     0    0.059   0.966     3.572   79.286   70.053
LGA    I   224_B      I   224_B     0.591     0    0.037   0.732     2.076   88.214   86.131
LGA    A   225_B      A   225_B     1.493     0    0.062   0.070     2.058   75.119   74.667
LGA    Q   226_B      Q   226_B     2.250     0    0.178   0.703     6.206   66.786   45.608
LGA    G   227_B      G   227_B     1.824     0    0.102   0.102     2.147   68.810   68.810
LGA    K   228_B      K   228_B     2.259     0    0.170   1.186     6.563   62.857   45.079
LGA    H   229_B      H   229_B     1.912     0    0.425   0.470     2.072   75.000   72.905
LGA    P   230_B      P   230_B     3.774     0    0.751   0.645     5.987   43.690   35.578
LGA    G   231_B      G   231_B     4.871     0    0.646   0.646     5.361   33.095   33.095
LGA    A   232_B      A   232_B     5.479     0    0.039   0.059     6.405   26.190   24.381
LGA    P   233_B      P   233_B     6.667     0    0.132   0.133     8.902   19.524   13.673
LGA    E   234_B      E   234_B     5.718     0    0.663   0.954     8.703   24.048   13.704
LGA    E   235_B      E   235_B     7.325     0    0.026   1.410    13.138   11.071    5.079
LGA    L   236_B      L   236_B     9.542     0    0.015   0.263    14.526    2.262    1.131
LGA    R   237_B      R   237_B     7.834     0    0.601   1.311    18.406   14.405    5.671
LGA    D   238_B      D   238_B     6.510     0    0.716   0.832    12.853   17.381    9.286
LGA    L   239_B      L   239_B     6.037     0    0.066   1.417     6.283   17.143   27.917
LGA    I   240_B      I   240_B     6.521     0    0.114   0.153     7.392   15.238   13.869
LGA    V   241_B      V   241_B     6.658     0    0.152   1.075     9.410   13.333   10.680
LGA    V   242_B      V   242_B     6.687     0    0.138   1.000     8.657   13.333   11.361
LGA    S   243_B      S   243_B     7.290     0    0.154   0.175     8.095   10.833    9.206
LGA    L   244_B      L   244_B     7.039     0    0.097   0.981     7.907    9.286    9.821
LGA    H   245_B      H   245_B     7.178     0    0.155   1.057    13.916   17.976    7.667
LGA    L   246_B      L   246_B     7.555     0    0.135   0.833    13.110   11.905    5.952
LGA    K   247_B      K   247_B     4.788     0    0.160   0.698    10.384   18.929   20.053
LGA    G   248_B      G   248_B     9.343     0    0.531   0.531    12.178    3.690    3.690

# 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):     4.678          4.622                  5.337           57.045   50.992

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    168    2.06    60.619    54.688     7.762

LGA_LOCAL      RMSD:   2.064  Number of atoms:  168  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.969  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   4.678  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.603426 * X  +  -0.420474 * Y  +  -0.677553 * Z  +  39.886967
  Y_new =  -0.538946 * X  +   0.841288 * Y  +  -0.042101 * Z  +  53.552097
  Z_new =   0.587719 * X  +   0.339759 * Y  +  -0.734268 * Z  + -63.050220 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.412579 -0.628237  2.708213   [DEG: -138.2306  -35.9953  155.1692 ]
ZXZ: -1.508739  2.395384  1.046637   [DEG:  -86.4444  137.2454   59.9679 ]
 
# END of job
