
#######################################################
#                                                     #
#                        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       3.44     3.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   137      36_B - 172_B       1.99     3.56
  LCS_AVERAGE:     43.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      43_B - 91_B        0.95     3.57
  LONGEST_CONTINUOUS_SEGMENT:    49      75_B - 123_B       0.98     3.89
  LCS_AVERAGE:     14.05

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      9    9  226      4   10   27  135  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Y    24_B     Y    24_B      9    9  226      5   68  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K    25_B     K    25_B      9    9  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A    26_B     A    26_B      9    9  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E    27_B     E    27_B      9    9  226     25   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I    28_B     I    28_B      9    9  226     22   78  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G    29_B     G    29_B      9    9  226      9   73  129  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    30_B     S    30_B      9    9  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V    31_B     V    31_B      9   29  226      0   36  103  145  172  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    32_B     S    32_B      4   29  226      0    8   22   31   57   96  125  158  198  203  208  211  214  214  216  219  221  222  225  225 
LCS_GDT     P    33_B     P    33_B      5   29  226      4    5    7    9   24   34   46   63  100  128  152  182  206  213  215  219  221  222  225  225 
LCS_GDT     T    34_B     T    34_B      5   89  226      4    5    7   15   28   36   50   94  118  141  171  195  206  213  215  219  221  222  225  225 
LCS_GDT     T    35_B     T    35_B      8  136  226      4   11   23   36   68  103  128  163  198  203  208  210  214  214  216  219  221  222  225  225 
LCS_GDT     S    36_B     S    36_B      8  137  226      4   12   40   94  128  160  186  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R    37_B     R    37_B      8  137  226      4    7   23   47   92  126  159  196  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D    38_B     D    38_B      8  137  226      5   12   27   82  111  138  176  198  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T    39_B     T    39_B     10  137  226      5   11   41  100  127  166  190  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F    40_B     F    40_B     14  137  226      5   11   23   56  108  154  185  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E    41_B     E    41_B     14  137  226      5   11   27   90  117  154  186  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D    42_B     D    42_B     14  137  226      5   33   72  114  149  176  191  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H    43_B     H    43_B     49  137  226      5   68  121  154  175  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D    44_B     D    44_B     49  137  226     25   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T    45_B     T    45_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     C    46_B     C    46_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F    47_B     F    47_B     49  137  226     27   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L    48_B     L    48_B     49  137  226     28   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G    49_B     G    49_B     49  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V    50_B     V    50_B     49  137  226     32   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    51_B     S    51_B     49  137  226     32   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L    52_B     L    52_B     49  137  226     13   80  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E    53_B     E    53_B     49  137  226     17   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     N    54_B     N    54_B     49  137  226     20   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    55_B     S    55_B     49  137  226     19   78  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     N    56_B     N    56_B     49  137  226     19   80  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F    57_B     F    57_B     49  137  226     19   80  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K    58_B     K    58_B     49  137  226     20   84  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P    59_B     P    59_B     49  137  226     19   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A    60_B     A    60_B     49  137  226     12   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K    61_B     K    61_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V    62_B     V    62_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D    63_B     D    63_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A    64_B     A    64_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     M    65_B     M    65_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A    66_B     A    66_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K    67_B     K    67_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     W    68_B     W    68_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I    69_B     I    69_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    70_B     S    70_B     49  137  226     27   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R    71_B     R    71_B     49  137  226     23   80  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R    72_B     R    72_B     49  137  226     11   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F    73_B     F    73_B     49  137  226     12   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    74_B     S    74_B     49  137  226      5   31  105  158  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Q    75_B     Q    75_B     49  137  226     10   77  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     C    76_B     C    76_B     49  137  226     23   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T    77_B     T    77_B     49  137  226     22   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V    78_B     V    78_B     49  137  226     31   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L    79_B     L    79_B     49  137  226     31   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I    80_B     I    80_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G    81_B     G    81_B     49  137  226     27   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D    82_B     D    82_B     49  137  226     17   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    83_B     S    83_B     49  137  226     23   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I    84_B     I    84_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H    85_B     H    85_B     49  137  226     29   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R    86_B     R    86_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I    87_B     I    87_B     49  137  226     30   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T    88_B     T    88_B     49  137  226     26   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L    89_B     L    89_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E    90_B     E    90_B     49  137  226     28   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    91_B     S    91_B     49  137  226      4   81  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T    92_B     T    92_B     49  137  226      3   10   46  121  174  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R    93_B     R    93_B     49  137  226      3   38  116  157  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S    94_B     S    94_B     49  137  226      3   26  104  157  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     M    95_B     M    95_B     49  137  226      3   10   24  147  174  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P    96_B     P    96_B     49  137  226      3   26  110  157  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P    97_B     P    97_B     49  137  226     30   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R    98_B     R    98_B     49  137  226     21   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A    99_B     A    99_B     49  137  226     27   84  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   100_B     A   100_B     49  137  226     30   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   101_B     L   101_B     49  137  226     31   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   102_B     D   102_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   103_B     D   103_B     49  137  226     37   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   104_B     A   104_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   105_B     L   105_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   106_B     R   106_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   107_B     L   107_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   108_B     G   108_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   109_B     R   109_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   110_B     E   110_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   111_B     F   111_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   112_B     V   112_B     49  137  226     32   84  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   113_B     E   113_B     49  137  226     27   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   114_B     S   114_B     49  137  226     29   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   115_B     R   115_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Q   116_B     Q   116_B     49  137  226     27   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P   117_B     P   117_B     49  137  226     27   80  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   118_B     V   118_B     49  137  226     26   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   119_B     F   119_B     49  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   120_B     E   120_B     49  137  226     26   79  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   121_B     S   121_B     49  137  226     27   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   122_B     F   122_B     49  137  226     32   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   123_B     R   123_B     49  137  226      7   53  116  152  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   124_B     D   124_B      4  137  226      3   14   19   46   73  130  168  188  201  205  208  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   125_B     R   125_B      4  137  226      3    7   20   26   47   88  118  149  168  186  206  211  214  214  216  219  221  222  225  225 
LCS_GDT     T   126_B     T   126_B     40  137  226      7   61  129  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K   127_B     K   127_B     41  137  226      5   34   91  153  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   128_B     F   128_B     41  137  226      4   31   91  154  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T   129_B     T   129_B     41  137  226     16   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   130_B     F   130_B     41  137  226     15   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   131_B     V   131_B     41  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T   132_B     T   132_B     41  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     C   133_B     C   133_B     41  137  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   134_B     S   134_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   135_B     E   135_B     41  137  226     17   71  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   136_B     V   136_B     41  137  226     14   80  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Q   137_B     Q   137_B     41  137  226     13   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   138_B     S   138_B     41  137  226      6   84  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     W   139_B     W   139_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   140_B     G   140_B     41  137  226     16   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   141_B     L   141_B     41  137  226     15   54  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Y   142_B     Y   142_B     41  137  226     15   46  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   143_B     G   143_B     41  137  226     17   46  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   144_B     D   144_B     41  137  226     17   46  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Y   145_B     Y   145_B     41  137  226     15   69  130  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H   146_B     H   146_B     41  137  226     15   63  125  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   147_B     E   147_B     41  137  226     12   63  125  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   148_B     R   148_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   149_B     L   149_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   150_B     R   150_B     41  137  226     14   71  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Q   151_B     Q   151_B     41  137  226     12   77  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H   152_B     H   152_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Y   153_B     Y   153_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   154_B     D   154_B     41  137  226     24   80  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Q   155_B     Q   155_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   156_B     D   156_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   157_B     A   157_B     41  137  226     31   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   158_B     A   158_B     41  137  226     36   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   159_B     F   159_B     41  137  226     28   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   160_B     R   160_B     41  137  226     24   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   161_B     G   161_B     41  137  226     32   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   162_B     S   162_B     41  137  226     36   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   163_B     V   163_B     41  137  226     17   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   164_B     E   164_B     41  137  226     10   75  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   165_B     A   165_B     41  137  226     28   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   166_B     F   166_B     41  137  226     26   54  112  154  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   167_B     G   167_B     41  137  226      8   73  126  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   168_B     R   168_B     41  137  226      8   28  108  152  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   169_B     D   169_B     32  137  226      8   13   38   78  138  176  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Y   170_B     Y   170_B     13  137  226      8   11   21   47   84  130  176  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H   171_B     H   171_B     13  137  226      8   13   33   55  115  155  189  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   172_B     G   172_B     13  137  226      4   11   17   45   74  133  174  195  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K   173_B     K   173_B     13  135  226      7   11   14   21   49   71   96  142  175  196  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   174_B     R   174_B     13  132  226      3   11   14   18   26   36   56   78   92  144  155  197  212  213  216  219  221  222  225  225 
LCS_GDT     S   175_B     S   175_B     13   36  226      3   11   14   18   27   46   67   87  140  173  193  208  213  213  216  219  221  222  225  225 
LCS_GDT     E   176_B     E   176_B     13   32  226      3    4   11   18   24   31   51   71   84   99  133  155  176  209  216  217  221  222  225  225 
LCS_GDT     G   177_B     G   177_B      5   20  226      3    4    5    9   15   28   61   75   91  125  152  165  195  212  216  219  221  222  225  225 
LCS_GDT     V   178_B     V   178_B      5   19  226      3    4    5   12   21   31   40   65  100  139  165  182  199  212  216  217  219  222  225  225 
LCS_GDT     S   179_B     S   179_B      5    7  226      3    4    5    7    9   18   24   27   53   69   91  107  136  165  205  214  219  221  225  225 
LCS_GDT     A   180_B     A   180_B      5    7  226      3    4    5    7   15   24   38   44   77   90   99  113  132  173  204  212  219  221  221  224 
LCS_GDT     Q   181_B     Q   181_B      3   12  226      3    3    3    4   16   22   37   51   60   74  110  167  183  198  208  217  219  221  225  225 
LCS_GDT     E   182_B     E   182_B     13   50  226      7   11   29   71   99  137  179  192  198  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   183_B     L   183_B     22   50  226      8   34   78  144  174  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     D   184_B     D   184_B     22   50  226      6   11   30   64  113  173  187  193  198  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H   185_B     H   185_B     22   50  226      8   19   54   86  144  176  189  195  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   186_B     R   186_B     22   50  226      8   47  109  156  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I   187_B     I   187_B     22   50  226     17   61  130  159  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   188_B     R   188_B     22   50  226      8   22   62  129  170  185  192  196  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K   189_B     K   189_B     22   50  226      9   47  126  158  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   190_B     S   190_B     22   50  226     30   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   191_B     S   191_B     22   50  226      8   44  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   192_B     E   192_B     22   50  226     17   59  130  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Y   193_B     Y   193_B     22   50  226     17   81  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   194_B     F   194_B     22   50  226     17   60  130  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   195_B     L   195_B     22   50  226     17   60  130  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   196_B     E   196_B     22   50  226     18   83  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   197_B     E   197_B     22   50  226     17   81  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   198_B     F   198_B     22   50  226     17   42  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   199_B     A   199_B     22   50  226     17   42  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I   200_B     I   200_B     22   50  226     17   42  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   201_B     F   201_B     22   50  226     17   39   99  155  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   202_B     A   202_B     22   50  226     17   41   99  156  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     C   203_B     C   203_B     22   50  226     17   49  123  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   204_B     L   204_B     22   50  226     14   49  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Q   205_B     Q   205_B     20   50  226      9   42   94  145  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     R   206_B     R   206_B      5   50  226      9   41   84  143  175  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T   207_B     T   207_B      5   50  226      7   82  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   208_B     G   208_B     11   50  226      4   39   95  153  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   209_B     S   209_B     17   50  226     10   77  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P   210_B     P   210_B     17   50  226      6   27  106  141  168  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   211_B     V   211_B     20   50  226     29   84  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     M   212_B     M   212_B     20   50  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   213_B     V   213_B     20   50  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Y   214_B     Y   214_B     20   50  226     32   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P   215_B     P   215_B     20   50  226     29   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   216_B     G   216_B     20   50  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   217_B     S   217_B     20   50  226     19   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     F   218_B     F   218_B     20   50  226     23   79  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   219_B     S   219_B     20   50  226     26   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     T   220_B     T   220_B     20   50  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   221_B     L   221_B     20   50  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   222_B     S   222_B     20   50  226     24   84  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   223_B     E   223_B     20   50  226     26   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I   224_B     I   224_B     20   50  226     26   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   225_B     A   225_B     20   50  226     15   73  130  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     Q   226_B     Q   226_B     20   50  226      9   62  125  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   227_B     G   227_B     20   50  226      9   57  122  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K   228_B     K   228_B     20   50  226      9   63  125  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H   229_B     H   229_B     20   50  226      4   63  125  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P   230_B     P   230_B     20   50  226      3   17   58  109  175  185  192  196  202  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   231_B     G   231_B      5   50  226      3    5    7   58  136  169  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     A   232_B     A   232_B      5   49  226      3   16   56  109  138  168  191  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     P   233_B     P   233_B      5   45  226      3    5    7   43  110  158  186  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   234_B     E   234_B      5   29  226      3   14  100  126  160  183  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     E   235_B     E   235_B      5   27  226      4    5   26   43   85  111  147  188  202  205  208  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   236_B     L   236_B      4   13  226      4    5    7   15   35   49   76  106  116  131  178  202  207  212  215  218  221  222  225  225 
LCS_GDT     R   237_B     R   237_B      4   13  226      4    5    7   10   10   17   24   81   97  152  187  202  207  212  214  218  221  222  225  225 
LCS_GDT     D   238_B     D   238_B      5   13  226      4    5   14   30  101  138  167  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   239_B     L   239_B     10   13  226      3   12   48  126  164  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     I   240_B     I   240_B     10   13  226     23   78  131  158  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   241_B     V   241_B     10   13  226      4   81  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     V   242_B     V   242_B     10   13  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     S   243_B     S   243_B     10   13  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   244_B     L   244_B     10   13  226     38   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     H   245_B     H   245_B     10   13  226     19   85  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     L   246_B     L   246_B     10   13  226      9   68  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     K   247_B     K   247_B     10   13  226     12   75  132  160  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_GDT     G   248_B     G   248_B     10   11  226      3   31   82  155  176  185  192  199  203  208  209  211  214  214  216  219  221  222  225  225 
LCS_AVERAGE  LCS_A:  52.61  (  14.05   43.80  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     38     85    132    160    176    185    192    199    203    208    209    211    214    214    216    219    221    222    225    225 
GDT PERCENT_AT  16.81  37.61  58.41  70.80  77.88  81.86  84.96  88.05  89.82  92.04  92.48  93.36  94.69  94.69  95.58  96.90  97.79  98.23  99.56  99.56
GDT RMS_LOCAL    0.39   0.67   0.93   1.16   1.32   1.44   1.57   1.83   1.93   2.09   2.14   2.20   2.35   2.35   2.49   2.76   2.87   2.96   3.31   3.31
GDT RMS_ALL_AT   3.63   3.61   3.62   3.66   3.64   3.63   3.62   3.59   3.57   3.53   3.52   3.53   3.52   3.52   3.50   3.48   3.49   3.47   3.44   3.44

# Checking swapping
#   possible swapping detected:  Y    24_B      Y    24_B
#   possible swapping detected:  E    27_B      E    27_B
#   possible swapping detected:  F    40_B      F    40_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  F    57_B      F    57_B
#   possible swapping detected:  F    73_B      F    73_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:  E   113_B      E   113_B
#   possible swapping detected:  D   124_B      D   124_B
#   possible swapping detected:  F   130_B      F   130_B
#   possible swapping detected:  E   135_B      E   135_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  Y   153_B      Y   153_B
#   possible swapping detected:  F   166_B      F   166_B
#   possible swapping detected:  E   182_B      E   182_B
#   possible swapping detected:  E   192_B      E   192_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     3.082     0    0.271   0.958     5.332   49.524   54.286
LGA    Y    24_B      Y    24_B     1.459     0    0.093   0.335     4.719   86.190   63.770
LGA    K    25_B      K    25_B     0.613     0    0.024   1.086     5.710   90.476   67.460
LGA    A    26_B      A    26_B     0.638     0    0.088   0.132     1.009   92.857   90.571
LGA    E    27_B      E    27_B     0.824     0    0.028   1.235     6.509   90.476   62.593
LGA    I    28_B      I    28_B     1.244     0    0.133   1.383     3.956   79.286   71.488
LGA    G    29_B      G    29_B     1.504     0    0.420   0.420     3.154   69.286   69.286
LGA    S    30_B      S    30_B     0.591     0    0.649   0.740     2.347   84.048   83.492
LGA    V    31_B      V    31_B     2.474     0    0.561   0.514     3.741   57.381   51.361
LGA    S    32_B      S    32_B     7.030     0    0.169   0.681     9.921    8.690    7.063
LGA    P    33_B      P    33_B    10.292     0    0.159   0.189    10.939    1.667    1.224
LGA    T    34_B      T    34_B    10.486     0    0.084   1.266    12.507    1.548    0.884
LGA    T    35_B      T    35_B     7.716     0    0.574   0.931     9.898   15.714   10.748
LGA    S    36_B      S    36_B     4.874     0    0.381   0.675     6.479   27.857   27.302
LGA    R    37_B      R    37_B     5.837     0    0.035   1.032     6.584   21.429   21.602
LGA    D    38_B      D    38_B     5.580     0    0.347   0.800     8.387   20.357   16.548
LGA    T    39_B      T    39_B     4.512     0    0.094   1.052     5.816   31.429   30.816
LGA    F    40_B      F    40_B     4.971     0    0.068   1.123     5.685   31.429   52.857
LGA    E    41_B      E    41_B     4.756     0    0.242   0.802     8.658   34.286   23.069
LGA    D    42_B      D    42_B     3.886     0    0.079   0.495     6.144   50.595   39.286
LGA    H    43_B      H    43_B     1.982     0    0.140   1.123     5.641   71.071   54.905
LGA    D    44_B      D    44_B     1.147     0    0.299   1.067     5.337   90.595   66.726
LGA    T    45_B      T    45_B     0.409     0    0.104   1.082     2.895   95.238   85.918
LGA    C    46_B      C    46_B     0.443     0    0.079   0.148     0.613  100.000   96.825
LGA    F    47_B      F    47_B     0.755     0    0.065   1.065     4.521   97.619   75.887
LGA    L    48_B      L    48_B     0.569     0    0.063   1.334     4.080   95.238   80.000
LGA    G    49_B      G    49_B     0.935     0    0.059   0.059     0.935   90.476   90.476
LGA    V    50_B      V    50_B     0.302     0    0.037   1.266     2.813   97.619   86.395
LGA    S    51_B      S    51_B     0.471     0    0.134   0.195     0.722   95.238   96.825
LGA    L    52_B      L    52_B     1.246     0    0.073   0.195     2.861   81.429   73.155
LGA    E    53_B      E    53_B     0.955     0    0.213   0.746     4.121   83.690   65.661
LGA    N    54_B      N    54_B     0.899     0    0.118   1.136     2.708   90.476   80.833
LGA    S    55_B      S    55_B     1.307     0    0.030   0.152     2.136   79.286   75.794
LGA    N    56_B      N    56_B     1.234     0    0.124   0.542     2.119   81.429   79.345
LGA    F    57_B      F    57_B     1.259     0    0.132   0.241     1.454   81.429   81.429
LGA    K    58_B      K    58_B     1.115     0    0.043   0.350     2.879   90.714   76.455
LGA    P    59_B      P    59_B     1.221     0    0.188   0.183     1.655   83.929   82.925
LGA    A    60_B      A    60_B     1.498     0    0.077   0.079     1.847   83.690   81.524
LGA    K    61_B      K    61_B     0.804     0    0.041   1.549     5.731   90.476   76.243
LGA    V    62_B      V    62_B     0.845     0    0.064   0.257     1.294   88.214   87.891
LGA    D    63_B      D    63_B     0.759     0    0.025   0.622     1.555   90.476   87.143
LGA    A    64_B      A    64_B     0.532     0    0.048   0.052     0.623   95.238   94.286
LGA    M    65_B      M    65_B     0.344     0    0.059   0.734     2.158   95.238   87.440
LGA    A    66_B      A    66_B     0.652     0    0.037   0.067     0.749   90.476   90.476
LGA    K    67_B      K    67_B     0.645     0    0.022   0.727     4.612   90.476   74.497
LGA    W    68_B      W    68_B     0.517     0    0.087   0.322     1.275   88.214   89.898
LGA    I    69_B      I    69_B     0.592     0    0.065   0.686     2.270   90.476   88.452
LGA    S    70_B      S    70_B     0.590     0    0.130   0.213     0.927   90.476   90.476
LGA    R    71_B      R    71_B     1.123     0    0.184   1.154     2.201   81.429   77.619
LGA    R    72_B      R    72_B     1.662     0    0.052   0.882     3.434   75.000   69.394
LGA    F    73_B      F    73_B     1.472     0    0.090   0.377     1.626   77.143   83.160
LGA    S    74_B      S    74_B     2.588     0    0.197   0.598     3.320   60.952   61.111
LGA    Q    75_B      Q    75_B     1.646     0    0.083   0.948     3.018   77.143   72.222
LGA    C    76_B      C    76_B     1.030     0    0.084   0.102     1.401   81.429   84.444
LGA    T    77_B      T    77_B     1.057     0    0.067   1.046     2.888   85.952   79.320
LGA    V    78_B      V    78_B     0.466     0    0.108   1.074     2.274   95.238   87.211
LGA    L    79_B      L    79_B     0.413     0    0.105   0.121     0.780   97.619   94.048
LGA    I    80_B      I    80_B     0.234     0    0.039   1.216     3.191  100.000   84.940
LGA    G    81_B      G    81_B     0.650     0    0.133   0.133     1.182   88.214   88.214
LGA    D    82_B      D    82_B     0.952     0    0.088   0.192     1.545   90.476   86.012
LGA    S    83_B      S    83_B     0.765     0    0.023   0.785     3.086   90.476   83.730
LGA    I    84_B      I    84_B     0.255     0    0.077   0.094     0.894   97.619   96.429
LGA    H    85_B      H    85_B     0.715     0    0.030   0.304     1.654   90.476   85.143
LGA    R    86_B      R    86_B     0.323     0    0.030   0.580     2.264  100.000   90.260
LGA    I    87_B      I    87_B     0.700     0    0.111   1.543     4.441   88.214   75.298
LGA    T    88_B      T    88_B     0.901     0    0.019   1.111     2.474   95.238   84.558
LGA    L    89_B      L    89_B     0.490     0    0.035   0.116     0.852   95.238   96.429
LGA    E    90_B      E    90_B     0.642     0    0.150   0.557     1.869   92.857   86.614
LGA    S    91_B      S    91_B     1.333     0    0.095   0.148     2.302   75.119   74.365
LGA    T    92_B      T    92_B     3.180     0    0.183   1.200     6.776   50.476   42.245
LGA    R    93_B      R    93_B     2.556     0    0.548   1.837    12.104   59.167   33.117
LGA    S    94_B      S    94_B     2.755     0    0.337   0.673     5.089   55.357   50.794
LGA    M    95_B      M    95_B     3.107     0    0.154   0.747     6.386   53.571   43.869
LGA    P    96_B      P    96_B     2.563     0    0.056   0.203     2.933   67.143   62.857
LGA    P    97_B      P    97_B     0.980     0    0.127   0.141     1.540   81.548   84.082
LGA    R    98_B      R    98_B     1.412     0    0.052   1.098     5.566   83.690   61.472
LGA    A    99_B      A    99_B     1.134     0    0.039   0.046     1.311   85.952   85.048
LGA    A   100_B      A   100_B     0.865     0    0.043   0.061     1.006   88.214   88.667
LGA    L   101_B      L   101_B     0.568     0    0.062   0.903     2.890   95.238   84.524
LGA    D   102_B      D   102_B     0.241     0    0.085   0.948     4.062  100.000   79.345
LGA    D   103_B      D   103_B     0.660     0    0.055   1.187     4.696   97.619   79.167
LGA    A   104_B      A   104_B     0.322     0    0.062   0.090     0.428  100.000  100.000
LGA    L   105_B      L   105_B     0.228     0    0.050   0.779     2.408   97.619   89.821
LGA    R   106_B      R   106_B     0.521     0    0.033   1.407     3.290   92.857   75.368
LGA    L   107_B      L   107_B     0.578     0    0.101   0.815     3.780   95.238   79.583
LGA    G   108_B      G   108_B     0.183     0    0.027   0.027     0.586   97.619   97.619
LGA    R   109_B      R   109_B     0.693     0    0.020   1.636     8.319   90.476   57.749
LGA    E   110_B      E   110_B     0.793     0    0.039   0.683     3.269   90.476   72.487
LGA    F   111_B      F   111_B     0.650     0    0.033   0.256     0.864   90.476   93.939
LGA    V   112_B      V   112_B     0.922     0    0.036   0.866     2.592   85.952   77.075
LGA    E   113_B      E   113_B     1.329     0    0.033   0.925     5.486   81.429   61.958
LGA    S   114_B      S   114_B     1.237     0    0.098   0.652     3.424   85.952   79.206
LGA    R   115_B      R   115_B     0.589     0    0.043   0.788     1.974   92.857   89.004
LGA    Q   116_B      Q   116_B     1.108     0    0.040   1.322     6.863   83.690   61.587
LGA    P   117_B      P   117_B     1.730     0    0.098   0.196     2.580   75.000   71.837
LGA    V   118_B      V   118_B     0.993     0    0.042   0.081     1.589   90.595   85.442
LGA    F   119_B      F   119_B     0.105     0    0.074   1.148     8.086   97.619   59.091
LGA    E   120_B      E   120_B     1.721     0    0.062   0.318     4.791   75.000   56.984
LGA    S   121_B      S   121_B     1.734     0    0.069   0.675     3.245   72.857   69.048
LGA    F   122_B      F   122_B     1.157     0    0.721   1.174     6.767   73.571   55.411
LGA    R   123_B      R   123_B     2.353     0    0.587   1.281    10.714   64.881   33.550
LGA    D   124_B      D   124_B     5.398     0    0.337   1.261     8.593   25.357   16.964
LGA    R   125_B      R   125_B     7.149     0    0.735   1.385    19.039   18.690    6.926
LGA    T   126_B      T   126_B     1.511     0    0.363   0.433     3.668   61.190   61.973
LGA    K   127_B      K   127_B     3.054     0    0.075   1.105     5.938   61.190   42.646
LGA    F   128_B      F   128_B     2.618     0    0.092   1.229     6.160   55.476   45.628
LGA    T   129_B      T   129_B     1.205     0    0.080   1.047     2.784   83.690   76.871
LGA    F   130_B      F   130_B     0.980     0    0.026   1.307     5.679   88.214   66.970
LGA    V   131_B      V   131_B     0.283     0    0.167   1.172     3.039   92.976   83.810
LGA    T   132_B      T   132_B     0.254     0    0.032   1.096     2.603  100.000   90.000
LGA    C   133_B      C   133_B     0.404     0    0.047   0.773     2.692   97.619   89.683
LGA    S   134_B      S   134_B     0.848     0    0.071   0.305     2.419   85.952   81.667
LGA    E   135_B      E   135_B     1.497     0    0.058   1.127     4.054   79.286   71.799
LGA    V   136_B      V   136_B     1.417     0    0.020   1.020     3.888   81.429   71.293
LGA    Q   137_B      Q   137_B     1.126     0    0.090   1.167     4.924   81.429   72.328
LGA    S   138_B      S   138_B     1.287     0    0.076   0.077     1.739   79.286   80.000
LGA    W   139_B      W   139_B     1.289     0    0.051   1.219     6.995   81.429   46.905
LGA    G   140_B      G   140_B     1.419     0    0.022   0.022     2.084   75.119   75.119
LGA    L   141_B      L   141_B     2.449     0    0.087   0.538     3.927   64.881   56.667
LGA    Y   142_B      Y   142_B     2.281     0    0.031   0.283     2.634   64.762   64.841
LGA    G   143_B      G   143_B     2.439     0    0.049   0.049     2.439   64.762   64.762
LGA    D   144_B      D   144_B     2.546     0    0.024   0.121     3.823   62.857   55.655
LGA    Y   145_B      Y   145_B     1.975     0    0.055   1.244     8.693   70.833   44.841
LGA    H   146_B      H   146_B     1.984     0    0.040   1.033     4.103   70.833   67.190
LGA    E   147_B      E   147_B     2.011     0    0.041   1.230     5.837   68.810   58.624
LGA    R   148_B      R   148_B     1.142     0    0.044   1.151     5.258   81.429   58.918
LGA    L   149_B      L   149_B     1.189     0    0.034   1.026     5.434   81.429   68.512
LGA    R   150_B      R   150_B     1.641     0    0.042   1.226     7.566   72.857   53.160
LGA    Q   151_B      Q   151_B     1.459     0    0.085   0.823     5.073   81.429   58.307
LGA    H   152_B      H   152_B     1.334     0    0.089   1.194     3.966   79.286   71.952
LGA    Y   153_B      Y   153_B     1.222     0    0.067   0.378     2.422   81.429   74.444
LGA    D   154_B      D   154_B     1.498     0    0.156   0.200     1.799   79.286   76.071
LGA    Q   155_B      Q   155_B     1.185     0    0.180   0.881     3.593   81.429   76.243
LGA    D   156_B      D   156_B     0.992     0    0.098   0.862     2.705   90.476   80.833
LGA    A   157_B      A   157_B     0.750     0    0.037   0.062     0.862   90.476   90.476
LGA    A   158_B      A   158_B     0.537     0    0.034   0.050     0.745   90.476   92.381
LGA    F   159_B      F   159_B     0.822     0    0.053   0.271     2.208   88.214   81.645
LGA    R   160_B      R   160_B     1.261     0    0.041   0.216     1.523   81.429   80.693
LGA    G   161_B      G   161_B     0.746     0    0.040   0.040     0.882   90.476   90.476
LGA    S   162_B      S   162_B     0.500     0    0.030   0.532     2.586   92.857   86.508
LGA    V   163_B      V   163_B     1.229     0    0.047   0.997     3.716   83.690   70.612
LGA    E   164_B      E   164_B     1.537     0    0.179   0.924     2.904   81.548   69.683
LGA    A   165_B      A   165_B     0.707     0    0.068   0.079     1.464   83.690   85.048
LGA    F   166_B      F   166_B     2.229     0    0.040   0.389     6.052   64.881   44.848
LGA    G   167_B      G   167_B     1.691     0    0.069   0.069     2.609   68.929   68.929
LGA    R   168_B      R   168_B     2.200     0    0.027   1.308     3.942   59.524   59.610
LGA    D   169_B      D   169_B     3.557     0    0.093   0.954     5.706   40.952   37.857
LGA    Y   170_B      Y   170_B     4.348     0    0.023   0.143     6.223   34.524   29.206
LGA    H   171_B      H   171_B     4.188     0    0.134   0.270     6.179   30.952   44.667
LGA    G   172_B      G   172_B     5.929     0    0.107   0.107     7.725   17.024   17.024
LGA    K   173_B      K   173_B     7.552     4    0.213   0.209     8.221    7.500    4.444
LGA    R   174_B      R   174_B     9.171     0    0.509   1.578    10.370    2.262    5.931
LGA    S   175_B      S   175_B     9.380     0    0.453   0.862    10.853    0.714    1.429
LGA    E   176_B      E   176_B    12.082     4    0.556   0.498    12.394    0.000    0.000
LGA    G   177_B      G   177_B    11.868     0    0.139   0.139    13.016    0.000    0.000
LGA    V   178_B      V   178_B    12.938     0    0.184   1.015    13.451    0.000    0.000
LGA    S   179_B      S   179_B    15.831     0    0.516   0.538    18.337    0.000    0.000
LGA    A   180_B      A   180_B    16.098     0    0.620   0.588    18.056    0.000    0.000
LGA    Q   181_B      Q   181_B    13.865     0    0.639   1.038    17.603    0.000    0.000
LGA    E   182_B      E   182_B     6.965     0    0.619   1.293     9.586   16.667   18.466
LGA    L   183_B      L   183_B     3.941     0    0.033   1.232     5.907   39.167   34.286
LGA    D   184_B      D   184_B     5.716     0    0.103   0.841     9.147   26.310   16.726
LGA    H   185_B      H   185_B     5.157     0    0.040   1.350     6.380   34.762   26.476
LGA    R   186_B      R   186_B     2.681     0    0.049   1.661    10.440   61.190   35.498
LGA    I   187_B      I   187_B     2.169     0    0.022   1.415     5.324   60.952   51.310
LGA    R   188_B      R   188_B     3.816     0    0.060   1.273     7.065   50.119   34.545
LGA    K   189_B      K   189_B     2.091     0    0.030   1.474     4.913   73.452   57.778
LGA    S   190_B      S   190_B     0.668     0    0.023   0.659     2.219   83.690   81.667
LGA    S   191_B      S   191_B     2.247     0    0.052   0.738     3.790   66.786   60.079
LGA    E   192_B      E   192_B     1.859     0    0.058   0.698     2.453   72.857   70.159
LGA    Y   193_B      Y   193_B     1.419     0    0.026   0.175     1.636   77.143   79.365
LGA    F   194_B      F   194_B     1.916     0    0.018   0.096     2.608   72.857   65.628
LGA    L   195_B      L   195_B     1.885     0    0.017   0.144     2.244   72.857   70.833
LGA    E   196_B      E   196_B     1.316     0    0.043   0.199     1.449   81.429   85.450
LGA    E   197_B      E   197_B     1.492     0    0.034   0.347     1.952   77.143   78.571
LGA    F   198_B      F   198_B     2.236     0    0.049   0.616     2.558   66.786   65.541
LGA    A   199_B      A   199_B     2.404     0    0.038   0.067     2.607   62.857   63.238
LGA    I   200_B      I   200_B     2.202     0    0.022   1.618     3.915   62.857   60.476
LGA    F   201_B      F   201_B     2.705     0    0.040   0.896     2.898   57.143   62.078
LGA    A   202_B      A   202_B     2.738     0    0.025   0.036     2.793   57.143   57.143
LGA    C   203_B      C   203_B     2.200     0    0.124   0.135     2.211   64.762   64.762
LGA    L   204_B      L   204_B     2.356     0    0.041   0.099     4.516   66.786   56.131
LGA    Q   205_B      Q   205_B     2.810     0    0.098   1.214     6.146   59.048   42.275
LGA    R   206_B      R   206_B     2.593     0    0.170   0.571    10.724   66.905   33.203
LGA    T   207_B      T   207_B     1.367     0    0.312   1.149     5.291   79.524   63.469
LGA    G   208_B      G   208_B     2.913     0    0.185   0.185     3.051   59.286   59.286
LGA    S   209_B      S   209_B     1.401     0    0.288   0.728     4.142   71.071   65.714
LGA    P   210_B      P   210_B     2.678     0    0.121   0.338     3.495   64.881   63.878
LGA    V   211_B      V   211_B     0.854     0    0.094   1.161     3.178   90.595   80.952
LGA    M   212_B      M   212_B     0.375     0    0.056   0.868     3.383   97.619   85.655
LGA    V   213_B      V   213_B     0.392     0    0.097   0.200     0.522  100.000   97.279
LGA    Y   214_B      Y   214_B     0.517     0    0.086   0.155     1.233   90.476   92.103
LGA    P   215_B      P   215_B     0.716     0    0.458   0.666     2.820   79.881   83.129
LGA    G   216_B      G   216_B     0.375     0    0.028   0.028     0.740   97.619   97.619
LGA    S   217_B      S   217_B     0.851     0    0.045   0.050     0.858   90.476   90.476
LGA    F   218_B      F   218_B     1.283     0    0.050   0.769     3.692   81.429   71.429
LGA    S   219_B      S   219_B     0.814     0    0.036   0.730     1.977   92.976   89.206
LGA    T   220_B      T   220_B     0.434     0    0.016   1.119     2.954   97.619   85.034
LGA    L   221_B      L   221_B     0.352     0    0.098   0.178     1.059   95.238   92.917
LGA    S   222_B      S   222_B     1.192     0    0.057   0.715     3.441   83.690   77.698
LGA    E   223_B      E   223_B     1.181     0    0.050   0.924     2.554   79.286   74.974
LGA    I   224_B      I   224_B     1.140     0    0.038   1.031     2.091   81.548   78.393
LGA    A   225_B      A   225_B     1.731     0    0.047   0.060     2.563   69.048   69.810
LGA    Q   226_B      Q   226_B     2.504     0    0.201   1.238     4.642   59.048   53.545
LGA    G   227_B      G   227_B     2.513     0    0.103   0.103     2.513   62.857   62.857
LGA    K   228_B      K   228_B     2.198     0    0.204   1.441     8.349   64.762   43.175
LGA    H   229_B      H   229_B     2.138     0    0.410   1.217     3.375   66.786   66.524
LGA    P   230_B      P   230_B     3.955     0    0.090   0.119     6.443   48.452   37.687
LGA    G   231_B      G   231_B     3.696     0    0.696   0.696     4.350   46.905   46.905
LGA    A   232_B      A   232_B     4.179     0    0.023   0.051     5.127   41.786   38.667
LGA    P   233_B      P   233_B     4.786     0    0.112   0.350     7.168   34.286   27.823
LGA    E   234_B      E   234_B     3.221     0    0.069   0.466     4.787   43.452   42.116
LGA    E   235_B      E   235_B     5.802     0    0.592   0.962    10.406   26.786   14.603
LGA    L   236_B      L   236_B     8.783     0    0.044   0.203    15.628    5.595    2.798
LGA    R   237_B      R   237_B     9.490     0    0.050   1.296    21.390    4.048    1.472
LGA    D   238_B      D   238_B     4.862     0    0.687   0.580     7.877   43.929   33.452
LGA    L   239_B      L   239_B     2.802     0    0.355   0.873     4.323   57.500   59.702
LGA    I   240_B      I   240_B     1.468     0    0.172   1.361     5.001   79.524   64.881
LGA    V   241_B      V   241_B     1.221     0    0.125   1.109     4.854   81.548   66.531
LGA    V   242_B      V   242_B     0.366     0    0.105   0.135     1.643   95.357   88.163
LGA    S   243_B      S   243_B     0.469     0    0.162   0.201     0.675   95.238   96.825
LGA    L   244_B      L   244_B     0.780     0    0.056   0.111     1.019   88.214   89.345
LGA    H   245_B      H   245_B     0.877     0    0.136   1.173     5.939   92.857   65.190
LGA    L   246_B      L   246_B     1.382     0    0.030   0.202     2.060   77.143   75.060
LGA    K   247_B      K   247_B     1.362     0    0.029   0.933     4.415   75.119   62.593
LGA    G   248_B      G   248_B     2.553     0    0.610   0.610     2.957   65.000   65.000

# 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):     3.439          3.371                  4.069           70.694   63.782

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    199    1.83    73.341    69.946    10.332

LGA_LOCAL      RMSD:   1.826  Number of atoms:  199  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.588  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   3.439  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.615058 * X  +  -0.331017 * Y  +  -0.715634 * Z  +  39.577496
  Y_new =  -0.530289 * X  +   0.845341 * Y  +   0.064749 * Z  +  54.213070
  Z_new =   0.583521 * X  +   0.419317 * Y  +  -0.695468 * Z  + -63.073887 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.430072 -0.623058  2.599023   [DEG: -139.2328  -35.6986  148.9131 ]
ZXZ: -1.661029  2.339868  0.947697   [DEG:  -95.1699  134.0645   54.2991 ]
 
# END of job
