
#######################################################
#                                                     #
#                        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  258 ( 2089),  selected  226 , name one
# Molecule2: number of CA atoms  226 ( 1818),  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      11_B - 246_B       2.69     2.69
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   223      14_B - 246_B       1.89     2.73
  LCS_AVERAGE:     97.82

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      16_B - 120_B       0.97     2.84
  LONGEST_CONTINUOUS_SEGMENT:   105      17_B - 121_B       0.98     2.84
  LCS_AVERAGE:     31.24

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    11_B     R    11_B      4   17  226      3    4    4    4    5    8   12   24   25   32   36   44   54   71   87  141  148  170  181  217 
LCS_GDT     K    12_B     K    12_B      4   19  226      3    4    4    4    9   15   19   24   26   67   77   88  103  125  161  182  205  217  220  223 
LCS_GDT     K    13_B     K    13_B      6  199  226      4   11   18   30   43   58   91  111  133  180  204  216  222  222  224  224  224  224  224  224 
LCS_GDT     I    14_B     I    14_B      6  223  226      4    8   12   31   62  101  118  159  196  214  220  221  222  223  224  224  224  224  224  224 
LCS_GDT     E    15_B     E    15_B      6  223  226      4    5   21   59   89  150  191  210  217  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P    16_B     P    16_B    105  223  226      7   69  128  180  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F    17_B     F    17_B    105  223  226     15   79  144  184  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    18_B     S    18_B    105  223  226     23  109  161  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T    19_B     T    19_B    105  223  226     14  119  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    20_B     L    20_B    105  223  226     37  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V    21_B     V    21_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I    22_B     I    22_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    23_B     L    23_B    105  223  226     67  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R    24_B     R    24_B    105  223  226     50  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     H    25_B     H    25_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G    26_B     G    26_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E    27_B     E    27_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    28_B     S    28_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    29_B     L    29_B    105  223  226     73  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    30_B     S    30_B    105  223  226     37  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N    31_B     N    31_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    32_B     L    32_B    105  223  226      7  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N    33_B     N    33_B    105  223  226     77  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R    34_B     R    34_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T    35_B     T    35_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Y    36_B     Y    36_B    105  223  226     67  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    37_B     S    37_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G    38_B     G    38_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     W    39_B     W    39_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Y    40_B     Y    40_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D    41_B     D    41_B    105  223  226     76  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T    42_B     T    42_B    105  223  226     74  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D    43_B     D    43_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    44_B     L    44_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T    45_B     T    45_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E    46_B     E    46_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K    47_B     K    47_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G    48_B     G    48_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I    49_B     I    49_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E    50_B     E    50_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D    51_B     D    51_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A    52_B     A    52_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Y    53_B     Y    53_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A    54_B     A    54_B    105  223  226     77  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A    55_B     A    55_B    105  223  226     77  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G    56_B     G    56_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R    57_B     R    57_B    105  223  226     51  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    58_B     L    58_B    105  223  226     28  134  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    59_B     L    59_B    105  223  226     37  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K    60_B     K    60_B    105  223  226     36  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    61_B     S    61_B    105  223  226     28  118  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     H    62_B     H    62_B    105  223  226     37  134  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G    63_B     G    63_B    105  223  226     76  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F    64_B     F    64_B    105  223  226     64  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     H    65_B     H    65_B    105  223  226     67  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F    66_B     F    66_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D    67_B     D    67_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V    68_B     V    68_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     C    69_B     C    69_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F    70_B     F    70_B    105  223  226     53  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    71_B     S    71_B    105  223  226     73  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    72_B     S    72_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Y    73_B     Y    73_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    74_B     L    74_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K    75_B     K    75_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R    76_B     R    76_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    77_B     S    77_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I    78_B     I    78_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R    79_B     R    79_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T    80_B     T    80_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M    81_B     M    81_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     W    82_B     W    82_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I    83_B     I    83_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V    84_B     V    84_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    85_B     L    85_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D    86_B     D    86_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V    87_B     V    87_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L    88_B     L    88_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D    89_B     D    89_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Q    90_B     Q    90_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M    91_B     M    91_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     H    92_B     H    92_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I    93_B     I    93_B    105  223  226     75  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Q    94_B     Q    94_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T    95_B     T    95_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I    96_B     I    96_B    105  223  226     76  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S    97_B     S    97_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N    98_B     N    98_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     W    99_B     W    99_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R   100_B     R   100_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   101_B     L   101_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   102_B     N   102_B    105  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   103_B     E   103_B    105  223  226     76  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     C   104_B     C   104_B    105  223  226     29  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     H   105_B     H   105_B    105  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F   106_B     F   106_B    105  223  226     57  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G   107_B     G   107_B    105  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   108_B     L   108_B    105  223  226     66  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   109_B     L   109_B    105  223  226     66  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T   110_B     T   110_B    105  223  226     70  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G   111_B     G   111_B    105  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M   112_B     M   112_B    105  223  226     41  128  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   113_B     N   113_B    105  223  226     49  129  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   114_B     K   114_B    105  223  226      9    9  164  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   115_B     E   115_B    105  223  226      9   48   75  179  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Q   116_B     Q   116_B    105  223  226      9   21  149  183  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   117_B     I   117_B    105  223  226      9   61  156  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     C   118_B     C   118_B    105  223  226     47  124  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T   119_B     T   119_B    105  223  226      9   14   52  159  196  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T   120_B     T   120_B    105  223  226      9   10   15   21  118  186  212  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   121_B     L   121_B    105  223  226      9   15   27  162  198  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T   122_B     T   122_B     14  223  226      7   11   20  160  196  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   123_B     E   123_B     14  223  226     10   11   15   38  152  207  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   124_B     E   124_B     14  223  226     10   11   57  165  196  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   125_B     E   125_B     14  223  226     10   50  152  184  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   126_B     L   126_B     14  223  226     10   39  117  183  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   127_B     N   127_B     14  223  226     10   11   21  131  194  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   128_B     I   128_B     14  223  226     10   62  144  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     W   129_B     W   129_B     14  223  226     14   65  131  185  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   130_B     K   130_B     14  223  226     10   35   85  135  191  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   131_B     K   131_B     14  223  226     10   16   85  136  192  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   132_B     D   132_B     14  223  226     17   67  143  185  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T   133_B     T   133_B     12  223  226     12   36  163  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     C   134_B     C   134_B      8  223  226     15  129  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   135_B     L   135_B      8  223  226      8  116  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Q   136_B     Q   136_B      7  223  226     69  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   137_B     P   137_B      7  223  226     25  133  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   138_B     P   138_B      9  223  226     19  108  158  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   139_B     P   139_B      9  223  226      4  121  166  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     C   140_B     C   140_B      9  223  226     20  106  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A   141_B     A   141_B      9  223  226      4   13   48  126  186  208  214  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   142_B     P   142_B      9  223  226      4    6    9   18   30   40  118  195  215  218  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G   143_B     G   143_B      9  223  226      4    7   18   47  104  176  208  212  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Q   144_B     Q   144_B      9  223  226      8   29   81  144  191  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   145_B     E   145_B      9  223  226     22   68  145  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   146_B     N   146_B      9  223  226     61  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   147_B     P   147_B      6  223  226      3   21   45  122  178  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S   148_B     S   148_B     63  223  226      3    5    7   26  165  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   149_B     D   149_B     63  223  226      6   76  163  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   150_B     D   150_B     63  223  226     35  132  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   151_B     P   151_B     63  223  226     49  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   152_B     K   152_B     63  223  226     57  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Y   153_B     Y   153_B     63  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   154_B     K   154_B     63  223  226     46  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   155_B     D   155_B     63  223  226     42  133  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   156_B     L   156_B     63  223  226     58  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   157_B     D   157_B     63  223  226     48  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   158_B     P   158_B     63  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R   159_B     R   159_B     63  223  226     30  133  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V   160_B     V   160_B     63  223  226     12  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   161_B     I   161_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   162_B     P   162_B     63  223  226     50  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   163_B     N   163_B     63  223  226      8  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G   164_B     G   164_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   165_B     E   165_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S   166_B     S   166_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   167_B     I   167_B     63  223  226     75  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   168_B     D   168_B     63  223  226     71  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M   169_B     M   169_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M   170_B     M   170_B     63  223  226     76  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     W   171_B     W   171_B     63  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   172_B     E   172_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R   173_B     R   173_B     63  223  226     73  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A   174_B     A   174_B     63  223  226     58  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   175_B     K   175_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   176_B     P   176_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Y   177_B     Y   177_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F   178_B     F   178_B     63  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   179_B     I   179_B     63  223  226     23  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   180_B     D   180_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Q   181_B     Q   181_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   182_B     I   182_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V   183_B     V   183_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     P   184_B     P   184_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R   185_B     R   185_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   186_B     L   186_B     63  223  226     33  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M   187_B     M   187_B     63  223  226     32  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   188_B     E   188_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G   189_B     G   189_B     63  223  226     19  134  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   190_B     K   190_B     63  223  226     19  122  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   191_B     K   191_B     63  223  226     54  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V   192_B     V   192_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   193_B     L   193_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   194_B     I   194_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V   195_B     V   195_B     63  223  226     78  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A   196_B     A   196_B     63  223  226     21  122  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     H   197_B     H   197_B     63  223  226     73  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G   198_B     G   198_B     63  223  226     39  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   199_B     N   199_B     63  223  226     39  122  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V   200_B     V   200_B     63  223  226     39  108  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M   201_B     M   201_B     63  223  226     39  116  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     R   202_B     R   202_B     63  223  226     27   94  163  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A   203_B     A   203_B     63  223  226     27   94  163  185  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M   204_B     M   204_B     63  223  226     43  126  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   205_B     K   205_B     63  223  226     39  120  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   206_B     K   206_B     63  223  226     39  102  163  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Y   207_B     Y   207_B     63  223  226     43  133  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   208_B     L   208_B     63  223  226     61  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     Q   209_B     Q   209_B     63  223  226     33  125  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   210_B     K   210_B     63  223  226     33  114  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     M   211_B     M   211_B     63  223  226     24   94  154  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   222_B     L   222_B     38  223  226      0    9   17   25   86  119  170  209  215  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S   223_B     S   223_B     14  223  226      2    6   46  105  171  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   224_B     N   224_B     14  223  226      4   24   64  114  191  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     G   225_B     G   225_B     14  223  226      4   24   56  106  189  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S   226_B     S   226_B     20  223  226      8   64  147  185  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     A   227_B     A   227_B     20  223  226      9   93  161  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   228_B     L   228_B     20  223  226     32  118  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     V   229_B     V   229_B     20  223  226     49  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F   230_B     F   230_B     20  223  226     46  136  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   231_B     K   231_B     20  223  226     40  116  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F   232_B     F   232_B     20  223  226      9   91  161  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     D   233_B     D   233_B     20  223  226      9   31  137  184  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   234_B     N   234_B     20  223  226      9   65  141  184  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     K   235_B     K   235_B     20  223  226      9   25   51  178  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     F   236_B     F   236_B     20  223  226      9   25  131  185  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     N   237_B     N   237_B     20  223  226      9   25   51  112  197  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   238_B     L   238_B     20  223  226      5   34  149  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     L   239_B     L   239_B     20  223  226     12   97  161  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   240_B     E   240_B     20  223  226     28  105  161  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     T   241_B     T   241_B     20  223  226     33  116  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   242_B     E   242_B     20  223  226     10   92  161  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   243_B     I   243_B     20  223  226     18   97  161  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     I   244_B     I   244_B     20  223  226     29  118  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     S   245_B     S   245_B     20  223  226     37  110  167  186  199  208  215  217  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_GDT     E   246_B     E   246_B      3  223  226      3    3   41  139  188  202  209  215  218  219  222  222  222  223  224  224  224  224  224  224 
LCS_AVERAGE  LCS_A:  76.35  (  31.24   97.82  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     78    136    167    186    199    208    215    217    218    219    222    222    222    223    224    224    224    224    224    224 
GDT PERCENT_AT  34.51  60.18  73.89  82.30  88.05  92.04  95.13  96.02  96.46  96.90  98.23  98.23  98.23  98.67  99.12  99.12  99.12  99.12  99.12  99.12
GDT RMS_LOCAL    0.32   0.55   0.77   0.99   1.17   1.34   1.50   1.55   1.57   1.61   1.77   1.77   1.77   1.89   2.04   2.04   2.04   2.04   2.04   2.04
GDT RMS_ALL_AT   2.97   2.95   2.91   2.84   2.78   2.77   2.77   2.76   2.76   2.76   2.75   2.75   2.75   2.73   2.71   2.71   2.71   2.71   2.71   2.71

# Checking swapping
#   possible swapping detected:  F    17_B      F    17_B
#   possible swapping detected:  Y    36_B      Y    36_B
#   possible swapping detected:  E    50_B      E    50_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  F    70_B      F    70_B
#   possible swapping detected:  Y    73_B      Y    73_B
#   possible swapping detected:  E   124_B      E   124_B
#   possible swapping detected:  E   145_B      E   145_B
#   possible swapping detected:  D   155_B      D   155_B
#   possible swapping detected:  E   172_B      E   172_B
#   possible swapping detected:  D   180_B      D   180_B
#   possible swapping detected:  F   236_B      F   236_B
#   possible swapping detected:  E   240_B      E   240_B
#   possible swapping detected:  E   242_B      E   242_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    11_B      R    11_B    20.849     0    0.279   1.323    21.891    0.000    0.000
LGA    K    12_B      K    12_B    18.548     0    0.050   0.992    27.339    0.000    0.000
LGA    K    13_B      K    13_B    12.129     0    0.586   1.065    14.748    0.000    0.000
LGA    I    14_B      I    14_B     9.925     0    0.177   1.315    10.779    3.810    2.381
LGA    E    15_B      E    15_B     6.939     0    0.061   0.803    11.675   15.238    7.725
LGA    P    16_B      P    16_B     2.827     0    0.085   0.382     4.757   48.690   46.871
LGA    F    17_B      F    17_B     2.284     0    0.068   1.422     7.297   64.762   47.359
LGA    S    18_B      S    18_B     1.619     0    0.032   0.548     1.814   77.143   77.143
LGA    T    19_B      T    19_B     1.368     0    0.034   0.051     1.493   81.429   81.429
LGA    L    20_B      L    20_B     0.993     0    0.055   0.082     1.162   88.214   85.952
LGA    V    21_B      V    21_B     0.449     0    0.029   0.052     0.511   97.619   98.639
LGA    I    22_B      I    22_B     0.375     0    0.081   0.721     2.344   97.619   90.893
LGA    L    23_B      L    23_B     0.500     0    0.075   0.414     1.455   95.238   90.595
LGA    R    24_B      R    24_B     0.709     0    0.026   0.500     1.219   90.476   90.563
LGA    H    25_B      H    25_B     0.487     0    0.057   0.107     0.695   95.238   93.333
LGA    G    26_B      G    26_B     0.799     0    0.042   0.042     0.906   90.476   90.476
LGA    E    27_B      E    27_B     1.293     0    0.054   0.108     1.914   81.429   76.667
LGA    S    28_B      S    28_B     1.192     0    0.024   0.081     1.307   81.429   82.937
LGA    L    29_B      L    29_B     1.396     0    0.042   0.977     4.069   81.429   74.821
LGA    S    30_B      S    30_B     1.355     0    0.074   0.101     1.491   81.429   81.429
LGA    N    31_B      N    31_B     1.396     0    0.010   1.183     3.252   79.286   74.286
LGA    L    32_B      L    32_B     1.791     0    0.017   1.411     4.828   70.833   66.726
LGA    N    33_B      N    33_B     1.780     0    0.033   1.136     3.278   72.857   68.988
LGA    R    34_B      R    34_B     1.569     0    0.018   1.405     6.578   77.143   55.628
LGA    T    35_B      T    35_B     0.915     0    0.070   1.044     2.661   83.690   79.320
LGA    Y    36_B      Y    36_B     1.025     0    0.034   0.336     3.297   88.214   74.286
LGA    S    37_B      S    37_B     1.034     0    0.027   0.735     1.367   85.952   84.444
LGA    G    38_B      G    38_B     0.534     0    0.031   0.031     0.725   90.476   90.476
LGA    W    39_B      W    39_B     0.530     0    0.046   0.056     1.005   92.857   90.510
LGA    Y    40_B      Y    40_B     0.463     0    0.015   0.143     0.930  100.000   94.444
LGA    D    41_B      D    41_B     0.373     0    0.052   0.124     0.816  100.000   97.619
LGA    T    42_B      T    42_B     0.375     0    0.052   0.180     0.664  100.000   98.639
LGA    D    43_B      D    43_B     0.904     0    0.014   0.069     1.510   88.214   84.881
LGA    L    44_B      L    44_B     1.194     0    0.051   0.087     1.458   81.429   81.429
LGA    T    45_B      T    45_B     1.606     0    0.035   0.056     1.762   77.143   75.306
LGA    E    46_B      E    46_B     1.473     0    0.018   0.832     4.441   79.286   65.926
LGA    K    47_B      K    47_B     1.416     0    0.008   1.042     3.757   81.429   71.640
LGA    G    48_B      G    48_B     1.312     0    0.015   0.015     1.371   81.429   81.429
LGA    I    49_B      I    49_B     1.133     0    0.048   0.709     2.592   83.690   78.452
LGA    E    50_B      E    50_B     0.984     0    0.032   1.132     4.450   88.214   74.127
LGA    D    51_B      D    51_B     1.156     0    0.024   0.422     3.034   83.690   78.690
LGA    A    52_B      A    52_B     0.916     0    0.016   0.018     1.019   88.214   88.667
LGA    Y    53_B      Y    53_B     0.492     0    0.021   0.053     1.349   97.619   90.595
LGA    A    54_B      A    54_B     0.667     0    0.013   0.019     0.824   90.476   90.476
LGA    A    55_B      A    55_B     0.826     0    0.031   0.031     0.890   90.476   90.476
LGA    G    56_B      G    56_B     0.370     0    0.012   0.012     0.578   97.619   97.619
LGA    R    57_B      R    57_B     0.597     0    0.031   1.322     4.068   90.595   79.784
LGA    L    58_B      L    58_B     1.175     0    0.035   1.282     4.569   83.690   76.369
LGA    L    59_B      L    59_B     0.885     0    0.013   0.269     1.422   90.476   89.345
LGA    K    60_B      K    60_B     0.835     0    0.028   0.344     1.416   88.214   88.466
LGA    S    61_B      S    61_B     1.264     0    0.051   0.057     1.591   79.286   80.000
LGA    H    62_B      H    62_B     1.187     0    0.024   0.113     1.953   81.429   77.143
LGA    G    63_B      G    63_B     0.782     0    0.020   0.020     0.899   90.476   90.476
LGA    F    64_B      F    64_B     0.624     0    0.022   0.208     1.469   95.238   92.294
LGA    H    65_B      H    65_B     0.552     0    0.184   1.021     2.252   90.595   85.333
LGA    F    66_B      F    66_B     0.517     0    0.051   0.141     0.688   92.857   93.074
LGA    D    67_B      D    67_B     0.832     0    0.041   0.052     1.271   90.476   87.083
LGA    V    68_B      V    68_B     0.457     0    0.026   1.286     2.708   97.619   87.483
LGA    C    69_B      C    69_B     0.358     0    0.016   0.777     2.807  100.000   91.270
LGA    F    70_B      F    70_B     0.466     0    0.019   0.141     0.828   95.238   92.208
LGA    S    71_B      S    71_B     0.436     0    0.055   0.616     2.383  100.000   92.540
LGA    S    72_B      S    72_B     0.223     0    0.041   0.045     0.390  100.000  100.000
LGA    Y    73_B      Y    73_B     0.442     0    0.045   0.667     1.888  100.000   89.960
LGA    L    74_B      L    74_B     0.274     0    0.030   0.042     0.417  100.000  100.000
LGA    K    75_B      K    75_B     0.495     0    0.024   0.567     2.512   97.619   82.434
LGA    R    76_B      R    76_B     0.397     0    0.026   0.764     2.362  100.000   95.931
LGA    S    77_B      S    77_B     0.556     0    0.027   0.218     1.583   92.857   89.127
LGA    I    78_B      I    78_B     0.610     0    0.015   0.057     0.691   90.476   90.476
LGA    R    79_B      R    79_B     0.790     0    0.008   0.165     0.970   90.476   90.476
LGA    T    80_B      T    80_B     0.767     0    0.016   0.032     0.807   90.476   90.476
LGA    M    81_B      M    81_B     0.548     0    0.008   1.337     5.593   90.476   78.869
LGA    W    82_B      W    82_B     0.655     0    0.023   0.097     1.493   90.476   86.599
LGA    I    83_B      I    83_B     0.817     0    0.004   0.558     1.739   90.476   87.143
LGA    V    84_B      V    84_B     0.524     0    0.028   0.029     0.651   95.238   95.918
LGA    L    85_B      L    85_B     0.342     0    0.025   0.045     0.464  100.000  100.000
LGA    D    86_B      D    86_B     0.455     0    0.023   0.237     1.045   97.619   95.298
LGA    V    87_B      V    87_B     0.462     0    0.063   1.215     2.653   95.238   86.122
LGA    L    88_B      L    88_B     0.533     0    0.011   0.165     0.683   95.238   95.238
LGA    D    89_B      D    89_B     0.579     0    0.019   0.811     2.583   92.857   84.167
LGA    Q    90_B      Q    90_B     0.470     0    0.059   0.082     0.477  100.000  100.000
LGA    M    91_B      M    91_B     0.442     0    0.038   0.692     2.292   97.619   92.024
LGA    H    92_B      H    92_B     0.488     0    0.041   0.145     0.632   95.238   96.190
LGA    I    93_B      I    93_B     0.803     0    0.068   0.270     0.921   90.476   91.667
LGA    Q    94_B      Q    94_B     0.942     0    0.028   1.113     5.313   90.476   73.175
LGA    T    95_B      T    95_B     0.592     0    0.057   0.156     0.838   90.476   90.476
LGA    I    96_B      I    96_B     0.318     0    0.020   0.526     2.106  100.000   94.405
LGA    S    97_B      S    97_B     0.231     0    0.016   0.120     0.417  100.000  100.000
LGA    N    98_B      N    98_B     0.214     0    0.027   1.127     4.664  100.000   76.607
LGA    W    99_B      W    99_B     0.261     0    0.026   0.056     0.525  100.000   98.639
LGA    R   100_B      R   100_B     0.484     0    0.021   0.986     2.372   97.619   86.797
LGA    L   101_B      L   101_B     0.414     0    0.018   0.122     0.867  100.000   97.619
LGA    N   102_B      N   102_B     0.356     0    0.037   0.055     0.610   97.619   98.810
LGA    E   103_B      E   103_B     0.482     0    0.023   0.100     0.945   95.238   93.651
LGA    C   104_B      C   104_B     1.112     0    0.019   0.810     1.536   83.690   81.508
LGA    H   105_B      H   105_B     1.308     0    0.041   0.144     1.685   79.286   80.571
LGA    F   106_B      F   106_B     1.207     0    0.070   0.315     2.043   81.429   78.355
LGA    G   107_B      G   107_B     1.483     0    0.053   0.053     1.483   81.429   81.429
LGA    L   108_B      L   108_B     0.575     0    0.107   0.534     2.796   90.476   82.083
LGA    L   109_B      L   109_B     0.513     0    0.036   0.141     1.054   95.238   91.726
LGA    T   110_B      T   110_B     0.647     0    0.014   0.059     1.185   95.238   90.612
LGA    G   111_B      G   111_B     0.148     0    0.063   0.063     0.387  100.000  100.000
LGA    M   112_B      M   112_B     0.504     0    0.034   0.730     3.640   97.619   82.857
LGA    N   113_B      N   113_B     0.345     0    0.137   0.585     2.874  100.000   86.845
LGA    K   114_B      K   114_B     1.541     4    0.052   0.058     2.774   79.286   41.587
LGA    E   115_B      E   115_B     2.475     4    0.014   0.020     3.438   66.786   35.238
LGA    Q   116_B      Q   116_B     2.567     0    0.059   1.109     6.303   60.952   47.566
LGA    I   117_B      I   117_B     1.621     0    0.036   0.213     3.888   75.000   68.214
LGA    C   118_B      C   118_B     0.887     0    0.067   0.805     1.727   81.667   80.159
LGA    T   119_B      T   119_B     3.387     0    0.022   0.030     5.105   48.810   42.245
LGA    T   120_B      T   120_B     4.205     0    0.019   0.042     5.342   37.262   34.830
LGA    L   121_B      L   121_B     3.052     0    0.686   1.151     6.497   61.548   47.738
LGA    T   122_B      T   122_B     3.879     0    0.099   1.259     6.072   46.905   39.864
LGA    E   123_B      E   123_B     4.137     0    0.030   0.722     7.867   40.238   26.455
LGA    E   124_B      E   124_B     3.612     0    0.021   1.253     5.864   50.238   40.635
LGA    E   125_B      E   125_B     2.120     0    0.019   1.339     2.858   66.905   67.619
LGA    L   126_B      L   126_B     2.377     0    0.018   1.093     4.447   60.952   53.095
LGA    N   127_B      N   127_B     3.077     0    0.051   0.869     5.402   55.357   48.095
LGA    I   128_B      I   128_B     1.984     0    0.070   0.108     2.941   66.786   64.821
LGA    W   129_B      W   129_B     2.537     0    0.047   0.978     8.346   55.476   34.184
LGA    K   130_B      K   130_B     3.725     0    0.029   0.750     6.233   43.452   39.894
LGA    K   131_B      K   131_B     3.358     0    0.112   1.031     4.199   53.571   50.370
LGA    D   132_B      D   132_B     2.351     0    0.129   0.471     4.558   66.786   56.071
LGA    T   133_B      T   133_B     2.084     0    0.254   0.237     3.529   70.833   61.973
LGA    C   134_B      C   134_B     1.708     0    0.086   0.202     3.126   72.857   67.698
LGA    L   135_B      L   135_B     1.879     0    0.029   1.392     6.768   75.000   55.655
LGA    Q   136_B      Q   136_B     0.491     0    0.124   0.852     3.536   90.595   78.571
LGA    P   137_B      P   137_B     1.346     0    0.050   0.063     1.468   81.429   84.014
LGA    P   138_B      P   138_B     1.844     0    0.086   0.135     2.036   75.000   72.925
LGA    P   139_B      P   139_B     1.934     0    0.073   0.112     2.785   75.000   68.435
LGA    C   140_B      C   140_B     1.857     0    0.101   0.151     3.098   63.214   65.079
LGA    A   141_B      A   141_B     4.258     0    0.092   0.089     5.028   38.929   36.381
LGA    P   142_B      P   142_B     6.801     0    0.658   0.662     8.922   11.905   10.068
LGA    G   143_B      G   143_B     6.183     0    0.041   0.041     6.183   21.548   21.548
LGA    Q   144_B      Q   144_B     3.854     0    0.099   0.417     4.644   43.690   51.429
LGA    E   145_B      E   145_B     2.130     0    0.596   1.119     6.036   57.500   45.185
LGA    N   146_B      N   146_B     0.363     0    0.636   0.777     5.789   84.405   61.548
LGA    P   147_B      P   147_B     4.141     0    0.054   0.143     5.992   41.786   35.170
LGA    S   148_B      S   148_B     4.189     0    0.054   0.693     4.795   43.452   41.429
LGA    D   149_B      D   149_B     1.570     0    0.058   0.122     2.507   77.381   75.298
LGA    D   150_B      D   150_B     0.974     0    0.051   0.109     1.673   88.214   83.750
LGA    P   151_B      P   151_B     0.706     0    0.046   0.262     1.172   90.476   89.184
LGA    K   152_B      K   152_B     0.870     0    0.030   0.652     1.752   90.476   86.508
LGA    Y   153_B      Y   153_B     0.788     0    0.027   0.105     0.819   90.476   90.476
LGA    K   154_B      K   154_B     0.811     0    0.029   1.083     3.563   90.476   83.280
LGA    D   155_B      D   155_B     1.061     0    0.036   0.198     1.792   85.952   81.548
LGA    L   156_B      L   156_B     0.694     0    0.088   1.155     3.219   90.476   82.083
LGA    D   157_B      D   157_B     0.693     0    0.116   1.095     3.369   90.476   83.155
LGA    P   158_B      P   158_B     1.105     0    0.036   0.171     1.366   81.429   81.429
LGA    R   159_B      R   159_B     1.270     0    0.035   0.817     7.049   81.429   55.108
LGA    V   160_B      V   160_B     0.860     0    0.049   0.823     1.789   90.476   86.667
LGA    I   161_B      I   161_B     0.546     0    0.043   0.160     0.857   95.238   94.048
LGA    P   162_B      P   162_B     0.595     0    0.027   0.033     0.819   90.476   90.476
LGA    N   163_B      N   163_B     0.818     0    0.495   0.849     3.910   86.429   71.131
LGA    G   164_B      G   164_B     0.793     0    0.276   0.276     1.362   85.952   85.952
LGA    E   165_B      E   165_B     0.693     0    0.069   0.373     0.991   90.476   90.476
LGA    S   166_B      S   166_B     0.750     0    0.040   0.054     0.938   90.476   90.476
LGA    I   167_B      I   167_B     1.269     0    0.026   1.060     4.048   81.429   67.024
LGA    D   168_B      D   168_B     1.116     0    0.027   0.873     4.497   85.952   68.690
LGA    M   169_B      M   169_B     0.705     0    0.017   1.031     4.452   90.476   72.083
LGA    M   170_B      M   170_B     0.995     0    0.019   1.071     2.791   88.214   79.702
LGA    W   171_B      W   171_B     1.058     0    0.040   1.658     7.855   85.952   59.966
LGA    E   172_B      E   172_B     0.739     0    0.025   1.198     4.624   90.476   75.714
LGA    R   173_B      R   173_B     0.770     0    0.020   0.156     1.167   90.476   89.654
LGA    A   174_B      A   174_B     0.887     0    0.039   0.037     1.114   90.476   88.667
LGA    K   175_B      K   175_B     0.983     0    0.043   0.763     2.836   90.476   80.899
LGA    P   176_B      P   176_B     0.701     0    0.038   0.094     0.757   90.476   90.476
LGA    Y   177_B      Y   177_B     0.657     0    0.041   0.095     0.735   90.476   90.476
LGA    F   178_B      F   178_B     1.056     0    0.035   0.407     2.517   83.690   75.455
LGA    I   179_B      I   179_B     1.279     0    0.010   0.627     1.765   81.429   78.214
LGA    D   180_B      D   180_B     0.997     0    0.017   0.203     1.539   88.214   84.881
LGA    Q   181_B      Q   181_B     0.770     0    0.085   0.729     2.711   90.476   84.762
LGA    I   182_B      I   182_B     0.831     0    0.017   0.306     1.148   90.476   90.536
LGA    V   183_B      V   183_B     0.842     0    0.026   0.055     0.962   90.476   90.476
LGA    P   184_B      P   184_B     0.876     0    0.030   0.077     1.048   88.214   89.184
LGA    R   185_B      R   185_B     1.126     0    0.033   1.160     5.177   81.429   74.286
LGA    L   186_B      L   186_B     1.276     0    0.030   0.122     1.672   79.286   79.286
LGA    M   187_B      M   187_B     1.251     0    0.049   1.078     3.366   81.429   74.464
LGA    E   188_B      E   188_B     1.467     0    0.008   0.341     1.864   77.143   79.577
LGA    G   189_B      G   189_B     1.885     0    0.066   0.066     1.885   72.857   72.857
LGA    K   190_B      K   190_B     1.755     0    0.068   0.286     1.885   72.857   73.810
LGA    K   191_B      K   191_B     1.151     0    0.040   0.871     5.682   85.952   72.222
LGA    V   192_B      V   192_B     0.533     0    0.042   0.076     0.736   92.857   94.558
LGA    L   193_B      L   193_B     0.167     0    0.024   0.101     0.384  100.000  100.000
LGA    I   194_B      I   194_B     0.412     0    0.026   0.797     2.929  100.000   91.131
LGA    V   195_B      V   195_B     0.462     0    0.033   0.155     0.716   95.238   93.197
LGA    A   196_B      A   196_B     1.137     0    0.204   0.297     2.104   88.214   83.524
LGA    H   197_B      H   197_B     0.384     0    0.055   0.121     0.490  100.000  100.000
LGA    G   198_B      G   198_B     0.924     0    0.035   0.035     1.138   85.952   85.952
LGA    N   199_B      N   199_B     1.269     0    0.030   1.063     2.498   79.286   77.321
LGA    V   200_B      V   200_B     1.409     0    0.044   1.053     2.630   77.143   74.286
LGA    M   201_B      M   201_B     1.489     0    0.068   0.859     5.232   79.286   63.274
LGA    R   202_B      R   202_B     1.929     0    0.023   1.233     6.047   70.833   58.788
LGA    A   203_B      A   203_B     2.137     0    0.034   0.038     2.244   68.810   68.000
LGA    M   204_B      M   204_B     1.409     0    0.022   0.459     3.280   79.286   73.274
LGA    K   205_B      K   205_B     1.373     0    0.009   0.860     4.011   79.286   73.651
LGA    K   206_B      K   206_B     1.964     0    0.019   0.591     3.250   72.857   65.873
LGA    Y   207_B      Y   207_B     1.512     0    0.021   0.094     1.778   77.143   75.714
LGA    L   208_B      L   208_B     0.817     0    0.039   0.098     1.106   88.214   89.345
LGA    Q   209_B      Q   209_B     1.018     0    0.112   1.037     3.337   83.690   78.942
LGA    K   210_B      K   210_B     1.393     0    0.082   0.813     3.306   75.119   70.741
LGA    M   211_B      M   211_B     1.978     3    0.048   0.061     2.449   68.810   42.500
LGA    L   222_B      L   222_B     5.556     0    0.495   0.494     9.224   34.762   22.083
LGA    S   223_B      S   223_B     3.737     0    0.136   0.220     4.029   45.119   45.635
LGA    N   224_B      N   224_B     3.302     3    0.606   0.590     3.709   62.143   36.488
LGA    G   225_B      G   225_B     3.503     0    0.029   0.029     4.127   48.690   48.690
LGA    S   226_B      S   226_B     2.193     0    0.144   0.240     3.113   69.048   65.159
LGA    A   227_B      A   227_B     1.811     0    0.051   0.065     2.094   70.833   71.238
LGA    L   228_B      L   228_B     1.147     0    0.060   0.958     2.543   88.333   79.762
LGA    V   229_B      V   229_B     0.639     0    0.027   0.061     0.878   90.476   91.837
LGA    F   230_B      F   230_B     0.740     0    0.023   0.329     1.170   90.476   88.874
LGA    K   231_B      K   231_B     1.136     0    0.042   0.759     1.697   81.429   81.587
LGA    F   232_B      F   232_B     1.467     0    0.030   0.476     1.954   79.286   80.736
LGA    D   233_B      D   233_B     2.266     0    0.025   0.034     3.181   68.810   62.083
LGA    N   234_B      N   234_B     2.254     0    0.129   1.211     3.088   64.762   62.976
LGA    K   235_B      K   235_B     2.571     0    0.027   1.283     7.957   60.952   44.127
LGA    F   236_B      F   236_B     2.011     0    0.025   1.383     5.778   62.857   55.455
LGA    N   237_B      N   237_B     2.798     0    0.052   1.122     6.695   62.976   52.143
LGA    L   238_B      L   238_B     1.852     0    0.056   0.122     2.222   70.833   69.821
LGA    L   239_B      L   239_B     1.586     0    0.092   1.116     3.058   72.976   68.095
LGA    E   240_B      E   240_B     1.462     0    0.084   0.566     1.966   83.690   85.503
LGA    T   241_B      T   241_B     1.039     0    0.127   1.035     3.412   81.429   76.939
LGA    E   242_B      E   242_B     1.536     0    0.048   0.723     1.798   79.286   81.534
LGA    I   243_B      I   243_B     1.709     0    0.093   1.164     5.569   77.143   61.726
LGA    I   244_B      I   244_B     1.415     0    0.130   1.159     3.813   72.976   64.405
LGA    S   245_B      S   245_B     1.399     0    0.025   0.739     3.094   71.190   69.365
LGA    E   246_B      E   246_B     4.282     4    0.533   0.548     5.486   39.405   20.423

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      226     904    904  100.00    1818   1818  100.00               226
SUMMARY(RMSD_GDC):     2.691          2.628                  3.141           79.820   74.506

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  258  226    4.0    217    1.55    84.403    90.775    13.149

LGA_LOCAL      RMSD:   1.550  Number of atoms:  217  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.765  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   2.691  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.115557 * X  +   0.232630 * Y  +   0.965676 * Z  +  35.411930
  Y_new =   0.981323 * X  +   0.177257 * Y  +   0.074728 * Z  + -38.859100
  Z_new =  -0.153789 * X  +   0.956276 * Y  +  -0.248768 * Z  +  -7.650089 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.688013  0.154402  1.825298   [DEG:   96.7160    8.8466  104.5819 ]
ZXZ:  1.648027  1.822205 -0.159455   [DEG:   94.4250  104.4046   -9.1361 ]
 
# END of job
