
#######################################################
#                                                     #
#                        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       3.93     3.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90      34_B - 123_B       1.97     4.16
  LONGEST_CONTINUOUS_SEGMENT:    90      35_B - 124_B       1.98     4.17
  LCS_AVERAGE:     26.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      44_B - 81_B        1.00     4.72
  LCS_AVERAGE:      9.01

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      4    8  226      1    6   11   26   44   57   71   87  103  133  161  185  201  211  216  220  222  225  226  226 
LCS_GDT     Y    24_B     Y    24_B      4    8  226      3   10   20   39   56   80  118  150  180  192  203  209  212  214  216  220  222  225  226  226 
LCS_GDT     K    25_B     K    25_B      4    8  226      3   22   43   63   95  135  169  180  189  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A    26_B     A    26_B      5   71  226     13   35   56  103  139  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E    27_B     E    27_B      5   71  226      6   39   76  109  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I    28_B     I    28_B      5   73  226     10   40   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G    29_B     G    29_B      5   73  226      4   20   55   95  136  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    30_B     S    30_B      5   73  226      4   18   51   88  132  157  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V    31_B     V    31_B      4   83  226      5   13   68  104  141  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    32_B     S    32_B      4   83  226      3   12   34   78  132  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P    33_B     P    33_B      5   83  226      7   13   32   57   94  125  157  178  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T    34_B     T    34_B      5   90  226      4   10   29   78  122  156  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T    35_B     T    35_B      6   90  226      4   11   45   99  134  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    36_B     S    36_B      6   90  226      4    5    7   13  135  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R    37_B     R    37_B      6   90  226      5   34   71  113  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D    38_B     D    38_B      6   90  226      4   20   51   88  132  157  170  180  188  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T    39_B     T    39_B      6   90  226      4    5    7   20   46  144  168  180  188  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F    40_B     F    40_B      6   90  226     12   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E    41_B     E    41_B      6   90  226      7   34   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D    42_B     D    42_B     32   90  226      9   48   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     H    43_B     H    43_B     33   90  226      4   30   67  102  139  156  169  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D    44_B     D    44_B     38   90  226      7   36   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T    45_B     T    45_B     38   90  226     10   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     C    46_B     C    46_B     38   90  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F    47_B     F    47_B     38   90  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L    48_B     L    48_B     38   90  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G    49_B     G    49_B     38   90  226     19   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V    50_B     V    50_B     38   90  226     12   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    51_B     S    51_B     38   90  226     11   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L    52_B     L    52_B     38   90  226     15   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E    53_B     E    53_B     38   90  226      7   36   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     N    54_B     N    54_B     38   90  226     17   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    55_B     S    55_B     38   90  226      5   46   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     N    56_B     N    56_B     38   90  226      5   33   72  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F    57_B     F    57_B     38   90  226     11   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     K    58_B     K    58_B     38   90  226     17   43   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P    59_B     P    59_B     38   90  226     12   43   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A    60_B     A    60_B     38   90  226     11   42   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     K    61_B     K    61_B     38   90  226     10   42   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V    62_B     V    62_B     38   90  226     10   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D    63_B     D    63_B     38   90  226     10   42   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A    64_B     A    64_B     38   90  226     10   42   72  119  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     M    65_B     M    65_B     38   90  226     10   42   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A    66_B     A    66_B     38   90  226      9   42   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     K    67_B     K    67_B     38   90  226      9   39   72  113  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     W    68_B     W    68_B     38   90  226      9   40   72  117  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I    69_B     I    69_B     38   90  226     10   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    70_B     S    70_B     38   90  226      8   35   72  117  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R    71_B     R    71_B     38   90  226     10   40   72  119  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R    72_B     R    72_B     38   90  226     11   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F    73_B     F    73_B     38   90  226     14   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    74_B     S    74_B     38   90  226      3    9   51  113  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Q    75_B     Q    75_B     38   90  226      9   49   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     C    76_B     C    76_B     38   90  226     13   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T    77_B     T    77_B     38   90  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V    78_B     V    78_B     38   90  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L    79_B     L    79_B     38   90  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I    80_B     I    80_B     38   90  226     15   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G    81_B     G    81_B     38   90  226     15   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D    82_B     D    82_B     13   90  226      3   16   57   98  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    83_B     S    83_B     14   90  226      6   41   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I    84_B     I    84_B     14   90  226      7   32   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     H    85_B     H    85_B     14   90  226     13   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R    86_B     R    86_B     14   90  226      9   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I    87_B     I    87_B     14   90  226      8   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T    88_B     T    88_B     14   90  226     15   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L    89_B     L    89_B     14   90  226     13   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E    90_B     E    90_B     14   90  226     13   45   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    91_B     S    91_B     14   90  226     15   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T    92_B     T    92_B     14   90  226      5   39   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R    93_B     R    93_B     14   90  226      5   27   78  113  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S    94_B     S    94_B     14   90  226      7   39   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     M    95_B     M    95_B     14   90  226      5   31   78  113  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P    96_B     P    96_B     14   90  226      3   39   73  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P    97_B     P    97_B     20   90  226      3   22   36   87  133  157  170  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R    98_B     R    98_B     20   90  226      9   35   68  101  135  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A    99_B     A    99_B     21   90  226      8   30   63  107  136  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   100_B     A   100_B     21   90  226      9   35   72  111  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   101_B     L   101_B     21   90  226     13   30   63  107  135  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   102_B     D   102_B     21   90  226     13   23   49   86  121  153  168  179  188  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   103_B     D   103_B     21   90  226      9   26   63   95  135  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   104_B     A   104_B     21   90  226     13   39   73  117  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   105_B     L   105_B     21   90  226     11   30   67  107  135  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   106_B     R   106_B     21   90  226     13   30   63   95  134  158  170  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   107_B     L   107_B     21   90  226     13   39   76  112  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   108_B     G   108_B     21   90  226     13   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   109_B     R   109_B     21   90  226     13   39   73  110  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   110_B     E   110_B     21   90  226     13   29   72  109  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   111_B     F   111_B     21   90  226     11   38   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V   112_B     V   112_B     21   90  226     15   49   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   113_B     E   113_B     21   90  226      8   39   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   114_B     S   114_B     21   90  226      7   19   26   88  130  158  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   115_B     R   115_B     21   90  226      7   12   26   55  120  153  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Q   116_B     Q   116_B     21   90  226      9   39   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P   117_B     P   117_B     21   90  226      7   42   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V   118_B     V   118_B     21   90  226      7   22   66  109  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   119_B     F   119_B     21   90  226      7   23   63  109  141  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   120_B     E   120_B     21   90  226      7   34   72  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   121_B     S   121_B      9   90  226     11   42   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   122_B     F   122_B      9   90  226     10   42   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   123_B     R   123_B      9   90  226      4   13   71  119  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   124_B     D   124_B      3   90  226      3    4    8   15   48   90  159  176  186  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   125_B     R   125_B      3   47  226      3    3    4   14   24   42   67  130  143  177  193  206  209  213  216  220  222  225  226  226 
LCS_GDT     T   126_B     T   126_B      5   46  226      3    5    6    6   29   42   49   62   86  158  172  199  208  213  216  220  222  225  226  226 
LCS_GDT     K   127_B     K   127_B      5   46  226     13   22   45   89  132  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   128_B     F   128_B      5   46  226      5   17   32   51   98  136  167  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T   129_B     T   129_B      9   43  226      9   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   130_B     F   130_B      9   43  226      8   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V   131_B     V   131_B     12   43  226     15   41   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T   132_B     T   132_B     12   43  226     11   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     C   133_B     C   133_B     33   43  226     10   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   134_B     S   134_B     33   43  226     10   41   72  111  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   135_B     E   135_B     33   43  226     14   42   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V   136_B     V   136_B     33   43  226      7   39   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Q   137_B     Q   137_B     33   43  226      6   32   77  119  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   138_B     S   138_B     33   43  226      6   31   70  114  142  157  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     W   139_B     W   139_B     33   43  226     19   43   78  117  142  158  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   140_B     G   140_B     33   43  226     13   42   70  112  139  155  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   141_B     L   141_B     33   43  226     17   43   72  114  142  157  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Y   142_B     Y   142_B     33   43  226     17   43   72  115  142  158  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   143_B     G   143_B     33   43  226     17   43   73  117  142  158  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   144_B     D   144_B     33   43  226     19   46   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Y   145_B     Y   145_B     33   43  226     19   46   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     H   146_B     H   146_B     33   43  226     18   46   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   147_B     E   147_B     33   43  226     19   46   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   148_B     R   148_B     33   43  226     19   46   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   149_B     L   149_B     33   43  226     22   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   150_B     R   150_B     33   43  226     19   46   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Q   151_B     Q   151_B     33   43  226     19   46   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     H   152_B     H   152_B     33   43  226     22   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Y   153_B     Y   153_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   154_B     D   154_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Q   155_B     Q   155_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   156_B     D   156_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   157_B     A   157_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   158_B     A   158_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   159_B     F   159_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   160_B     R   160_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   161_B     G   161_B     33   43  226      5   43   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   162_B     S   162_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V   163_B     V   163_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   164_B     E   164_B     33   43  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   165_B     A   165_B     33   43  226     15   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   166_B     F   166_B     32   43  226      6   18   36   74  135  158  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   167_B     G   167_B     31   43  226      6   14   31   59  108  148  169  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   168_B     R   168_B     29   43  226      6   12   30   56   95  138  162  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   169_B     D   169_B     12   43  226      6   12   18   33   59   86  152  174  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Y   170_B     Y   170_B     12   43  226      4   12   16   25   40   62   82  140  177  193  203  209  212  214  216  220  222  225  226  226 
LCS_GDT     H   171_B     H   171_B     12   40  226      5   12   20   34   52   73   89  153  181  197  204  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   172_B     G   172_B     12   38  226      6   12   15   20   37   54   74  106  164  190  203  209  212  214  216  220  222  225  226  226 
LCS_GDT     K   173_B     K   173_B     12   36  226      5   12   15   20   22   31   47   63   78   96  153  191  206  214  216  220  222  225  226  226 
LCS_GDT     R   174_B     R   174_B     12   29  226      4   12   15   20   22   31   40   52   70   82   98  131  175  203  215  220  222  225  226  226 
LCS_GDT     S   175_B     S   175_B     12   26  226      3   12   15   20   22   29   41   55   71   96  126  165  196  211  216  220  222  225  226  226 
LCS_GDT     E   176_B     E   176_B     12   19  226      3    5   11   20   22   26   32   46   58   71   83  107  129  166  192  216  222  225  226  226 
LCS_GDT     G   177_B     G   177_B      4   18  226      3    4    5    8   16   22   31   35   42   54   68   89  103  127  158  188  216  225  226  226 
LCS_GDT     V   178_B     V   178_B      4   18  226      3    4    6   12   20   28   34   50   71   89  128  170  199  211  216  220  222  225  226  226 
LCS_GDT     S   179_B     S   179_B      3   18  226      3    3    8   16   20   23   27   33   39   56   83  110  145  179  211  219  222  225  226  226 
LCS_GDT     A   180_B     A   180_B      3    7  226      0    3    9   11   19   19   23   26   42   51  111  125  163  205  216  220  222  225  226  226 
LCS_GDT     Q   181_B     Q   181_B      3    5  226      3    4    5   16   22   24   31   41   74  126  136  176  200  211  216  220  222  225  226  226 
LCS_GDT     E   182_B     E   182_B      3   18  226      3    4    4    9   19   31   51   83  179  192  203  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   183_B     L   183_B     17   49  226      9   28   68  115  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     D   184_B     D   184_B     17   49  226      9   30   72  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     H   185_B     H   185_B     17   49  226      9   35   72  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   186_B     R   186_B     17   49  226      9   37   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I   187_B     I   187_B     17   49  226     10   43   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   188_B     R   188_B     17   49  226      9   45   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     K   189_B     K   189_B     17   49  226      9   47   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   190_B     S   190_B     17   49  226     17   43   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   191_B     S   191_B     17   49  226     16   43   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   192_B     E   192_B     17   49  226      8   43   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Y   193_B     Y   193_B     17   49  226      8   47   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   194_B     F   194_B     17   49  226     22   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   195_B     L   195_B     17   49  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   196_B     E   196_B     17   49  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   197_B     E   197_B     17   49  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   198_B     F   198_B     17   49  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   199_B     A   199_B     17   49  226     13   41   73  118  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I   200_B     I   200_B     14   49  226      5   12   26   69  117  151  168  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   201_B     F   201_B     14   49  226      5   27   55   78  132  150  168  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   202_B     A   202_B     14   49  226      5   32   61   81  124  150  167  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     C   203_B     C   203_B     14   49  226      5   13   26   51   86  130  162  167  185  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   204_B     L   204_B      4   49  226      7   40   70  113  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Q   205_B     Q   205_B      5   49  226      4   16   49  109  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     R   206_B     R   206_B      5   49  226      4    5   20   69  103  145  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T   207_B     T   207_B      5   49  226      4    6   29   78  101  137  162  178  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   208_B     G   208_B      5   49  226      4   26   47   64   98  144  162  175  189  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   209_B     S   209_B      5   49  226      4   22   45   63   80  118  152  170  189  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P   210_B     P   210_B     20   49  226      6   32   77  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V   211_B     V   211_B     20   49  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     M   212_B     M   212_B     20   49  226     23   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     V   213_B     V   213_B     20   49  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Y   214_B     Y   214_B     20   49  226     24   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P   215_B     P   215_B     20   49  226     16   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   216_B     G   216_B     20   49  226     12   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   217_B     S   217_B     20   49  226      5   39   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     F   218_B     F   218_B     20   49  226     13   38   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   219_B     S   219_B     20   49  226     15   49   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     T   220_B     T   220_B     20   49  226     14   49   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   221_B     L   221_B     20   49  226      9   41   78  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   222_B     S   222_B     20   49  226      9   17   72  113  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   223_B     E   223_B     20   49  226     15   45   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I   224_B     I   224_B     20   49  226     18   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   225_B     A   225_B     20   49  226     15   43   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     Q   226_B     Q   226_B     20   49  226     10   41   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   227_B     G   227_B     20   49  226     17   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     K   228_B     K   228_B     20   49  226     10   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     H   229_B     H   229_B     20   49  226      9   50   79  120  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P   230_B     P   230_B     17   49  226     12   35   72  109  142  159  171  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   231_B     G   231_B      5   49  226      3    4    5   15   65  108  149  179  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     A   232_B     A   232_B      5   24  226      3    4   17   57   90  117  144  177  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     P   233_B     P   233_B      5   21  226      3    4    5   17   31   62  121  136  182  195  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   234_B     E   234_B      5   21  226      4    4    8   32   65  129  152  178  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     E   235_B     E   235_B      5   21  226      4    4    5   11   18   26   38  125  161  185  199  206  212  214  216  220  222  225  226  226 
LCS_GDT     L   236_B     L   236_B      5    5  226      4    4    5    5    8   45   62   76   98  137  154  187  207  212  215  218  222  225  226  226 
LCS_GDT     R   237_B     R   237_B      5    5  226      4    4   18   24   38   52   72  103  139  162  191  206  209  214  216  220  222  225  226  226 
LCS_GDT     D   238_B     D   238_B      6   10  226      4    5   17   32   65   90  115  157  182  195  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   239_B     L   239_B      7   10  226      4    5   15   37   54   90  115  154  182  196  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     I   240_B     I   240_B      7   10  226      4    6   21   37   54   90  124  154  179  195  205  208  212  214  216  220  222  225  226  226 
LCS_GDT     V   241_B     V   241_B      7   10  226      4    6   13   32   59   85  124  152  179  195  205  208  212  214  216  220  222  225  226  226 
LCS_GDT     V   242_B     V   242_B      7   10  226      5   11   24   37   71   98  143  164  183  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     S   243_B     S   243_B      7   10  226      4    6   13   21   59   85  115  141  182  196  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   244_B     L   244_B      7   10  226      5    7   20   34   73  108  146  172  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     H   245_B     H   245_B      7   10  226      4    6   13   46   68   95  121  161  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     L   246_B     L   246_B      7   10  226      4    7   27   48   73  108  155  180  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     K   247_B     K   247_B      5   10  226      3    4    8   31   51   90  155  179  190  197  205  209  212  214  216  220  222  225  226  226 
LCS_GDT     G   248_B     G   248_B      4    8  226      3    4    6   19   30   55   77  148  179  192  203  209  212  214  216  220  222  225  226  226 
LCS_AVERAGE  LCS_A:  45.27  (   9.01   26.81  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     24     50     79    120    142    159    171    180    190    197    205    209    212    214    216    220    222    225    226    226 
GDT PERCENT_AT  10.62  22.12  34.96  53.10  62.83  70.35  75.66  79.65  84.07  87.17  90.71  92.48  93.81  94.69  95.58  97.35  98.23  99.56 100.00 100.00
GDT RMS_LOCAL    0.37   0.66   0.98   1.36   1.55   1.78   1.94   2.08   2.35   2.47   2.68   2.87   2.95   3.05   3.15   3.44   3.55   3.84   3.93   3.93
GDT RMS_ALL_AT   4.60   4.50   4.39   4.25   4.23   4.19   4.18   4.17   4.11   4.10   4.09   4.02   4.03   4.02   4.01   3.96   3.95   3.93   3.93   3.93

# Checking swapping
#   possible swapping detected:  Y    24_B      Y    24_B
#   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   120_B      E   120_B
#   possible swapping detected:  F   122_B      F   122_B
#   possible swapping detected:  D   124_B      D   124_B
#   possible swapping detected:  F   128_B      F   128_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  Y   153_B      Y   153_B
#   possible swapping detected:  Y   170_B      Y   170_B
#   possible swapping detected:  E   182_B      E   182_B
#   possible swapping detected:  E   192_B      E   192_B
#   possible swapping detected:  F   218_B      F   218_B
#   possible swapping detected:  E   223_B      E   223_B
#   possible swapping detected:  E   234_B      E   234_B
#   possible swapping detected:  E   235_B      E   235_B
#   possible swapping detected:  D   238_B      D   238_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    23_B      R    23_B    11.113     0    0.611   0.871    13.926    0.833    0.303
LGA    Y    24_B      Y    24_B     7.450     0    0.208   0.978     8.930   10.000    6.508
LGA    K    25_B      K    25_B     4.335     0    0.141   1.284     5.228   43.929   39.788
LGA    A    26_B      A    26_B     2.723     0    0.056   0.061     3.400   53.571   54.286
LGA    E    27_B      E    27_B     2.608     0    0.168   0.759     5.816   69.048   53.122
LGA    I    28_B      I    28_B     0.807     0    0.123   0.135     2.005   77.381   77.262
LGA    G    29_B      G    29_B     3.080     0    0.608   0.608     4.444   50.476   50.476
LGA    S    30_B      S    30_B     3.583     0    0.086   0.632     6.877   50.357   38.651
LGA    V    31_B      V    31_B     2.620     0    0.582   0.583     6.383   66.905   48.231
LGA    S    32_B      S    32_B     2.773     0    0.092   0.647     4.440   52.619   49.603
LGA    P    33_B      P    33_B     5.254     0    0.528   0.551     7.336   36.071   25.374
LGA    T    34_B      T    34_B     3.970     0    0.099   0.221     6.304   46.667   36.054
LGA    T    35_B      T    35_B     3.327     0    0.181   0.179     4.099   50.476   47.483
LGA    S    36_B      S    36_B     2.915     0    0.301   0.635     3.791   64.881   58.810
LGA    R    37_B      R    37_B     2.002     0    0.026   1.451     8.137   62.976   46.061
LGA    D    38_B      D    38_B     4.031     0    0.370   0.505     7.808   41.905   28.333
LGA    T    39_B      T    39_B     4.045     0    0.170   0.175     6.658   46.905   36.939
LGA    F    40_B      F    40_B     1.746     0    0.082   1.130     2.510   71.071   70.043
LGA    E    41_B      E    41_B     1.945     0    0.188   0.588     6.890   81.548   53.228
LGA    D    42_B      D    42_B     1.025     0    0.068   0.141     3.646   77.381   67.440
LGA    H    43_B      H    43_B     3.589     0    0.513   1.184    10.541   63.452   29.095
LGA    D    44_B      D    44_B     1.860     0    0.306   1.448     7.794   72.857   47.321
LGA    T    45_B      T    45_B     1.545     0    0.101   1.143     4.367   70.833   64.354
LGA    C    46_B      C    46_B     1.681     0    0.106   0.673     2.676   75.000   71.667
LGA    F    47_B      F    47_B     1.187     0    0.124   1.091     3.988   81.429   73.074
LGA    L    48_B      L    48_B     0.828     0    0.030   1.366     3.319   90.476   77.143
LGA    G    49_B      G    49_B     1.073     0    0.047   0.047     1.210   81.429   81.429
LGA    V    50_B      V    50_B     1.275     0    0.081   1.183     2.578   81.429   74.354
LGA    S    51_B      S    51_B     1.055     0    0.047   0.711     3.260   85.952   79.206
LGA    L    52_B      L    52_B     0.761     0    0.550   1.234     6.264   86.429   65.595
LGA    E    53_B      E    53_B     1.816     0    0.167   0.735     4.684   72.976   55.767
LGA    N    54_B      N    54_B     1.001     0    0.062   0.282     2.175   81.429   77.202
LGA    S    55_B      S    55_B     1.509     0    0.028   0.563     3.445   75.000   70.476
LGA    N    56_B      N    56_B     2.053     0    0.132   1.022     4.147   66.905   62.381
LGA    F    57_B      F    57_B     0.887     0    0.291   0.318     1.523   83.810   85.584
LGA    K    58_B      K    58_B     0.980     0    0.103   1.231     3.820   83.810   75.450
LGA    P    59_B      P    59_B     1.392     0    0.062   0.288     1.673   77.143   79.048
LGA    A    60_B      A    60_B     1.761     0    0.072   0.073     2.258   70.833   71.238
LGA    K    61_B      K    61_B     1.668     0    0.027   0.142     2.087   72.857   72.011
LGA    V    62_B      V    62_B     1.388     0    0.048   0.916     2.642   79.286   75.510
LGA    D    63_B      D    63_B     2.215     0    0.026   0.618     3.794   66.786   62.143
LGA    A    64_B      A    64_B     2.225     0    0.070   0.070     2.347   64.762   64.762
LGA    M    65_B      M    65_B     1.432     0    0.027   0.937     3.945   79.286   70.833
LGA    A    66_B      A    66_B     1.633     0    0.057   0.086     2.089   72.857   71.238
LGA    K    67_B      K    67_B     2.464     0    0.038   0.785     4.503   64.762   56.402
LGA    W    68_B      W    68_B     2.171     0    0.064   0.614     2.926   66.786   62.619
LGA    I    69_B      I    69_B     1.090     0    0.065   1.201     2.771   81.548   76.429
LGA    S    70_B      S    70_B     1.956     0    0.051   0.540     3.481   72.857   66.429
LGA    R    71_B      R    71_B     2.065     0    0.222   1.038     7.873   68.810   45.801
LGA    R    72_B      R    72_B     1.319     0    0.047   1.324     3.839   81.429   78.788
LGA    F    73_B      F    73_B     0.756     0    0.078   0.317     2.025   85.952   80.823
LGA    S    74_B      S    74_B     2.478     0    0.173   0.645     3.582   66.786   60.079
LGA    Q    75_B      Q    75_B     1.111     0    0.082   1.114     4.643   83.810   68.254
LGA    C    76_B      C    76_B     0.972     0    0.098   0.131     1.091   85.952   85.952
LGA    T    77_B      T    77_B     1.279     0    0.114   0.122     1.406   81.429   81.429
LGA    V    78_B      V    78_B     0.533     0    0.122   0.125     0.910   90.476   90.476
LGA    L    79_B      L    79_B     0.826     0    0.092   0.151     1.008   90.476   89.345
LGA    I    80_B      I    80_B     0.981     0    0.165   0.158     1.422   88.214   84.821
LGA    G    81_B      G    81_B     0.660     0    0.382   0.382     2.072   84.048   84.048
LGA    D    82_B      D    82_B     2.754     0    0.310   1.120     4.329   69.048   61.548
LGA    S    83_B      S    83_B     1.341     0    0.047   0.605     2.076   79.286   77.222
LGA    I    84_B      I    84_B     1.623     0    0.065   0.120     1.883   75.000   73.929
LGA    H    85_B      H    85_B     0.846     0    0.052   1.459     5.428   88.214   65.286
LGA    R    86_B      R    86_B     1.063     0    0.058   0.830     2.408   83.690   78.442
LGA    I    87_B      I    87_B     1.171     0    0.062   1.345     5.276   85.952   72.857
LGA    T    88_B      T    88_B     0.841     0    0.030   1.142     3.304   88.214   79.592
LGA    L    89_B      L    89_B     1.357     0    0.026   1.418     4.705   79.286   67.917
LGA    E    90_B      E    90_B     1.159     0    0.113   0.591     1.634   85.952   81.534
LGA    S    91_B      S    91_B     0.775     0    0.052   0.680     2.501   85.952   81.905
LGA    T    92_B      T    92_B     1.715     0    0.226   1.003     4.067   67.262   62.313
LGA    R    93_B      R    93_B     2.114     0    0.598   1.015     9.944   66.905   35.887
LGA    S    94_B      S    94_B     1.768     0    0.381   0.347     2.331   70.833   68.810
LGA    M    95_B      M    95_B     2.108     0    0.190   0.906     4.620   75.357   61.250
LGA    P    96_B      P    96_B     1.881     0    0.634   0.686     5.050   77.381   59.456
LGA    P    97_B      P    97_B     3.621     0    0.463   0.434     5.776   52.024   43.673
LGA    R    98_B      R    98_B     3.151     0    0.119   0.957     7.062   48.333   40.216
LGA    A    99_B      A    99_B     3.095     0    0.038   0.043     3.193   53.571   54.286
LGA    A   100_B      A   100_B     2.377     0    0.052   0.065     2.600   59.048   61.810
LGA    L   101_B      L   101_B     3.124     0    0.040   1.449     5.192   51.786   44.643
LGA    D   102_B      D   102_B     4.454     0    0.058   0.974     8.286   37.143   24.583
LGA    D   103_B      D   103_B     3.544     0    0.074   0.995     6.875   50.238   38.155
LGA    A   104_B      A   104_B     1.864     0    0.062   0.088     2.398   68.810   69.619
LGA    L   105_B      L   105_B     3.072     0    0.049   1.130     5.641   51.786   44.048
LGA    R   106_B      R   106_B     3.528     0    0.019   1.249     4.996   50.119   40.866
LGA    L   107_B      L   107_B     2.116     0    0.108   0.194     2.576   69.048   66.964
LGA    G   108_B      G   108_B     1.214     0    0.040   0.040     1.441   81.429   81.429
LGA    R   109_B      R   109_B     2.296     0    0.019   1.552     8.610   64.762   39.307
LGA    E   110_B      E   110_B     2.564     0    0.058   0.169     5.775   64.881   47.989
LGA    F   111_B      F   111_B     1.424     0    0.020   1.140     4.851   79.286   62.208
LGA    V   112_B      V   112_B     0.744     0    0.058   1.005     3.261   88.214   79.728
LGA    E   113_B      E   113_B     1.658     0    0.045   0.607     5.389   70.952   54.603
LGA    S   114_B      S   114_B     3.215     0    0.102   0.117     4.427   52.024   47.063
LGA    R   115_B      R   115_B     3.528     0    0.164   0.411     5.656   50.119   36.407
LGA    Q   116_B      Q   116_B     2.199     0    0.034   1.009     4.004   62.857   62.646
LGA    P   117_B      P   117_B     1.834     0    0.098   0.188     2.268   72.857   70.544
LGA    V   118_B      V   118_B     2.485     0    0.049   0.076     3.205   60.952   58.299
LGA    F   119_B      F   119_B     2.920     0    0.040   0.142     4.398   57.143   47.273
LGA    E   120_B      E   120_B     2.060     0    0.117   0.937     3.033   68.810   64.974
LGA    S   121_B      S   121_B     1.801     0    0.108   0.118     2.023   70.833   71.508
LGA    F   122_B      F   122_B     1.575     0    0.165   0.344     2.340   72.976   72.900
LGA    R   123_B      R   123_B     1.954     0    0.241   1.245     6.038   75.000   51.169
LGA    D   124_B      D   124_B     5.143     0    0.589   1.118     9.169   23.452   14.286
LGA    R   125_B      R   125_B     8.478     0    0.648   1.519    15.860    7.381    2.684
LGA    T   126_B      T   126_B     9.337     0    0.468   0.968    12.521    4.762    2.721
LGA    K   127_B      K   127_B     3.681     0    0.127   0.709     6.510   40.714   42.487
LGA    F   128_B      F   128_B     4.596     0    0.160   1.259    12.732   37.500   15.714
LGA    T   129_B      T   129_B     0.954     0    0.194   1.276     3.761   88.452   75.510
LGA    F   130_B      F   130_B     1.199     0    0.088   1.264     3.706   83.690   71.515
LGA    V   131_B      V   131_B     1.100     0    0.201   1.010     3.537   81.429   73.605
LGA    T   132_B      T   132_B     1.759     0    0.079   0.929     4.554   75.000   65.850
LGA    C   133_B      C   133_B     1.890     0    0.065   0.183     2.218   68.810   70.159
LGA    S   134_B      S   134_B     2.493     0    0.110   0.808     4.470   66.786   60.238
LGA    E   135_B      E   135_B     1.242     0    0.122   0.367     1.904   83.810   78.677
LGA    V   136_B      V   136_B     1.203     0    0.149   0.189     1.655   77.143   79.048
LGA    Q   137_B      Q   137_B     2.352     0    0.060   0.192     4.392   61.190   54.392
LGA    S   138_B      S   138_B     3.266     0    0.135   0.688     3.611   50.119   51.429
LGA    W   139_B      W   139_B     2.793     0    0.021   1.276     7.091   53.571   36.293
LGA    G   140_B      G   140_B     3.746     0    0.020   0.020     3.746   43.333   43.333
LGA    L   141_B      L   141_B     3.364     0    0.032   1.109     3.978   50.119   47.560
LGA    Y   142_B      Y   142_B     2.958     0    0.015   0.070     3.112   55.357   55.357
LGA    G   143_B      G   143_B     2.750     0    0.052   0.052     2.952   59.048   59.048
LGA    D   144_B      D   144_B     2.345     0    0.029   0.115     2.613   64.881   64.821
LGA    Y   145_B      Y   145_B     2.052     0    0.034   0.669     3.666   68.810   62.500
LGA    H   146_B      H   146_B     1.812     0    0.037   0.306     2.093   72.857   72.048
LGA    E   147_B      E   147_B     2.098     0    0.035   1.169     7.148   68.810   47.143
LGA    R   148_B      R   148_B     1.609     0    0.037   1.421     6.449   79.405   55.238
LGA    L   149_B      L   149_B     0.742     0    0.050   1.383     3.340   88.214   77.202
LGA    R   150_B      R   150_B     1.278     0    0.040   1.176     3.752   81.429   74.848
LGA    Q   151_B      Q   151_B     1.541     0    0.081   0.651     5.085   81.667   61.058
LGA    H   152_B      H   152_B     0.371     0    0.044   1.032     4.215   97.619   75.000
LGA    Y   153_B      Y   153_B     0.787     0    0.057   0.242     1.376   90.476   84.444
LGA    D   154_B      D   154_B     0.920     0    0.163   0.367     1.579   90.476   84.881
LGA    Q   155_B      Q   155_B     0.888     0    0.142   1.073     2.602   88.214   80.899
LGA    D   156_B      D   156_B     0.833     0    0.030   0.643     1.696   83.690   82.679
LGA    A   157_B      A   157_B     1.192     0    0.025   0.049     1.240   81.429   81.429
LGA    A   158_B      A   158_B     1.027     0    0.028   0.057     1.027   83.690   85.048
LGA    F   159_B      F   159_B     0.783     0    0.047   0.255     0.909   90.476   92.208
LGA    R   160_B      R   160_B     0.819     0    0.604   1.465     5.889   84.048   67.532
LGA    G   161_B      G   161_B     2.011     0    0.085   0.085     2.285   70.952   70.952
LGA    S   162_B      S   162_B     1.347     0    0.066   0.511     2.694   79.286   75.952
LGA    V   163_B      V   163_B     1.135     0    0.048   1.088     3.283   81.429   73.469
LGA    E   164_B      E   164_B     1.226     0    0.112   0.518     1.844   81.429   83.492
LGA    A   165_B      A   165_B     1.222     0    0.064   0.074     2.097   75.119   76.381
LGA    F   166_B      F   166_B     2.841     0    0.646   1.547     8.902   50.833   31.688
LGA    G   167_B      G   167_B     3.809     0    0.166   0.166     4.837   40.476   40.476
LGA    R   168_B      R   168_B     4.301     0    0.048   1.543     5.946   33.333   34.372
LGA    D   169_B      D   169_B     5.169     0    0.136   0.471     7.008   22.262   23.631
LGA    Y   170_B      Y   170_B     6.348     0    0.028   0.262     9.539   14.762   10.635
LGA    H   171_B      H   171_B     6.622     0    0.150   1.149     8.968   10.119   28.476
LGA    G   172_B      G   172_B     8.161     0    0.069   0.069    10.321    4.048    4.048
LGA    K   173_B      K   173_B    10.098     4    0.205   0.203    11.161    0.357    0.159
LGA    R   174_B      R   174_B    11.729     0    0.517   1.183    12.288    0.000    0.000
LGA    S   175_B      S   175_B    12.194     0    0.570   0.641    14.692    0.000    0.000
LGA    E   176_B      E   176_B    15.009     4    0.056   0.069    15.506    0.000    0.000
LGA    G   177_B      G   177_B    15.444     0    0.639   0.639    15.444    0.000    0.000
LGA    V   178_B      V   178_B    11.849     0    0.205   0.273    12.877    0.000    0.340
LGA    S   179_B      S   179_B    15.161     0    0.538   0.698    19.657    0.000    0.000
LGA    A   180_B      A   180_B    14.116     0    0.620   0.595    15.745    0.000    0.000
LGA    Q   181_B      Q   181_B    12.247     0    0.647   0.973    12.826    0.000    0.000
LGA    E   182_B      E   182_B     7.953     0    0.632   1.283    11.435   16.548    7.513
LGA    L   183_B      L   183_B     2.327     0    0.609   1.527     6.817   57.857   40.060
LGA    D   184_B      D   184_B     1.966     0    0.056   0.106     2.363   70.833   67.798
LGA    H   185_B      H   185_B     1.876     0    0.044   1.353     5.360   72.857   57.905
LGA    R   186_B      R   186_B     1.574     0    0.027   0.939     8.292   72.857   44.632
LGA    I   187_B      I   187_B     1.788     0    0.026   0.909     3.569   72.857   64.345
LGA    R   188_B      R   188_B     1.798     0    0.029   1.031     3.517   72.857   67.446
LGA    K   189_B      K   189_B     1.721     0    0.043   1.355     5.215   72.857   64.656
LGA    S   190_B      S   190_B     2.073     0    0.063   0.706     3.017   70.833   66.349
LGA    S   191_B      S   191_B     1.918     0    0.049   0.669     4.488   70.833   64.206
LGA    E   192_B      E   192_B     1.803     0    0.039   0.771     3.478   75.000   63.651
LGA    Y   193_B      Y   193_B     1.295     0    0.031   0.073     1.550   83.810   89.881
LGA    F   194_B      F   194_B     0.946     0    0.033   1.410     5.973   88.214   64.545
LGA    L   195_B      L   195_B     0.785     0    0.015   0.103     1.445   92.857   87.143
LGA    E   196_B      E   196_B     0.829     0    0.096   0.296     1.929   90.476   83.545
LGA    E   197_B      E   197_B     0.454     0    0.038   0.103     0.587   95.238   96.825
LGA    F   198_B      F   198_B     0.368     0    0.040   1.234     5.661   88.571   63.160
LGA    A   199_B      A   199_B     2.257     0    0.039   0.079     3.435   63.333   60.667
LGA    I   200_B      I   200_B     3.916     0    0.033   1.530     7.695   40.476   35.595
LGA    F   201_B      F   201_B     3.800     0    0.019   0.803     4.883   40.476   49.177
LGA    A   202_B      A   202_B     4.076     0    0.042   0.046     5.365   34.524   37.619
LGA    C   203_B      C   203_B     5.481     0    0.536   0.940     7.704   36.190   27.540
LGA    L   204_B      L   204_B     2.730     0    0.087   0.989     4.629   65.833   54.762
LGA    Q   205_B      Q   205_B     2.353     0    0.411   1.396     4.198   63.095   56.085
LGA    R   206_B      R   206_B     3.678     0    0.322   1.329    13.676   45.238   20.866
LGA    T   207_B      T   207_B     5.027     0    0.662   1.032     9.770   30.595   21.905
LGA    G   208_B      G   208_B     5.173     0    0.263   0.263     6.384   25.238   25.238
LGA    S   209_B      S   209_B     5.267     0    0.271   0.755     9.013   30.476   21.349
LGA    P   210_B      P   210_B     2.012     0    0.699   0.655     3.563   75.119   66.667
LGA    V   211_B      V   211_B     1.331     0    0.086   1.127     3.759   79.286   73.537
LGA    M   212_B      M   212_B     0.983     0    0.055   0.559     2.547   83.690   81.786
LGA    V   213_B      V   213_B     1.185     0    0.058   0.220     1.423   81.429   81.429
LGA    Y   214_B      Y   214_B     1.192     0    0.061   0.135     1.928   81.429   78.571
LGA    P   215_B      P   215_B     1.520     0    0.394   0.501     2.330   79.286   75.374
LGA    G   216_B      G   216_B     1.655     0    0.214   0.214     1.832   72.857   72.857
LGA    S   217_B      S   217_B     1.819     0    0.034   0.054     1.886   75.000   74.286
LGA    F   218_B      F   218_B     1.406     0    0.086   0.138     2.197   77.143   72.208
LGA    S   219_B      S   219_B     1.153     0    0.032   0.087     1.351   81.429   81.429
LGA    T   220_B      T   220_B     1.060     0    0.028   0.122     1.566   79.286   82.789
LGA    L   221_B      L   221_B     2.040     0    0.070   1.096     4.411   66.786   61.369
LGA    S   222_B      S   222_B     2.460     0    0.038   0.074     3.290   64.762   61.032
LGA    E   223_B      E   223_B     1.531     0    0.034   0.826     3.471   77.143   65.556
LGA    I   224_B      I   224_B     1.112     0    0.034   0.147     1.609   81.429   80.357
LGA    A   225_B      A   225_B     2.163     0    0.058   0.063     2.772   66.786   64.857
LGA    Q   226_B      Q   226_B     2.175     0    0.175   0.710     5.820   70.952   49.577
LGA    G   227_B      G   227_B     0.951     0    0.103   0.103     1.469   88.214   88.214
LGA    K   228_B      K   228_B     1.286     0    0.167   0.807     6.589   79.286   54.815
LGA    H   229_B      H   229_B     1.151     0    0.431   1.138     5.244   83.690   65.190
LGA    P   230_B      P   230_B     2.264     0    0.064   0.096     5.104   64.762   52.245
LGA    G   231_B      G   231_B     4.646     0    0.671   0.671     6.013   32.500   32.500
LGA    A   232_B      A   232_B     5.339     0    0.053   0.086     5.945   28.810   27.333
LGA    P   233_B      P   233_B     6.621     0    0.153   0.162     8.874   19.524   13.673
LGA    E   234_B      E   234_B     5.129     0    0.658   1.105     7.202   26.310   21.905
LGA    E   235_B      E   235_B     7.549     0    0.041   1.230    12.883   10.357    4.656
LGA    L   236_B      L   236_B     9.183     0    0.033   0.154    14.266    3.452    1.726
LGA    R   237_B      R   237_B     7.405     0    0.611   1.379    17.643   18.214    7.316
LGA    D   238_B      D   238_B     6.229     0    0.727   1.256    11.931   18.333   10.060
LGA    L   239_B      L   239_B     6.099     0    0.066   1.007     6.254   17.143   30.000
LGA    I   240_B      I   240_B     6.503     0    0.109   1.256    10.199   16.190   14.048
LGA    V   241_B      V   241_B     6.452     0    0.079   0.098     7.396   17.143   14.558
LGA    V   242_B      V   242_B     5.813     0    0.069   0.909     7.476   19.286   21.701
LGA    S   243_B      S   243_B     6.278     0    0.105   0.699     8.955   19.286   15.556
LGA    L   244_B      L   244_B     5.281     0    0.125   0.837     6.474   21.548   29.524
LGA    H   245_B      H   245_B     5.912     0    0.128   0.736    12.344   25.119   11.714
LGA    L   246_B      L   246_B     5.324     0    0.074   0.896     8.343   20.595   15.357
LGA    K   247_B      K   247_B     6.451     0    0.083   0.870     8.922   17.262   12.963
LGA    G   248_B      G   248_B     9.011     0    0.588   0.588     9.011    7.024    7.024

# 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):     3.927          3.845                  4.545           60.662   54.180

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    180    2.08    63.053    58.226     8.261

LGA_LOCAL      RMSD:   2.079  Number of atoms:  180  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.170  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   3.927  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.242505 * X  +  -0.903423 * Y  +  -0.353579 * Z  +  61.093472
  Y_new =  -0.819858 * X  +  -0.385693 * Y  +   0.423172 * Z  +  59.897709
  Z_new =  -0.518676 * X  +   0.187263 * Y  +  -0.834211 * Z  + -39.325741 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.283208  0.545302  2.920774   [DEG:  -73.5224   31.2435  167.3480 ]
ZXZ: -2.445551  2.557496 -1.224320   [DEG: -140.1198  146.5337  -70.1484 ]
 
# END of job
