
#######################################################
#                                                     #
#                        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       1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   226      11_B - 246_B       1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   194      16_B - 209_B       0.99     2.06
  LONGEST_CONTINUOUS_SEGMENT:   194      17_B - 210_B       0.99     2.07
  LONGEST_CONTINUOUS_SEGMENT:   194      18_B - 211_B       1.00     2.07
  LCS_AVERAGE:     78.15

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      5  226  226      0    3    5    6    7   19   23   30   39   50   67   88  120  147  173  225  226  226  226  226 
LCS_GDT     K    12_B     K    12_B      6  226  226      0    5    6   11   14   19   53   60  135  154  172  201  225  225  225  225  226  226  226  226 
LCS_GDT     K    13_B     K    13_B      8  226  226      4    6   21   56   89  133  176  212  221  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I    14_B     I    14_B     14  226  226      4    6   25   72  112  172  209  217  221  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E    15_B     E    15_B    132  226  226      4    9   77  171  208  213  217  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P    16_B     P    16_B    194  226  226     54  128  185  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F    17_B     F    17_B    194  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    18_B     S    18_B    194  226  226     91  139  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T    19_B     T    19_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    20_B     L    20_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V    21_B     V    21_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I    22_B     I    22_B    194  226  226     67  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    23_B     L    23_B    194  226  226     67  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R    24_B     R    24_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     H    25_B     H    25_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G    26_B     G    26_B    194  226  226     40  127  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E    27_B     E    27_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    28_B     S    28_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    29_B     L    29_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    30_B     S    30_B    194  226  226     50  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N    31_B     N    31_B    194  226  226     35  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    32_B     L    32_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N    33_B     N    33_B    194  226  226     53  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R    34_B     R    34_B    194  226  226     32  128  187  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T    35_B     T    35_B    194  226  226     50  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Y    36_B     Y    36_B    194  226  226     56  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    37_B     S    37_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G    38_B     G    38_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     W    39_B     W    39_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Y    40_B     Y    40_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D    41_B     D    41_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T    42_B     T    42_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D    43_B     D    43_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    44_B     L    44_B    194  226  226     85  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T    45_B     T    45_B    194  226  226     76  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E    46_B     E    46_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K    47_B     K    47_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G    48_B     G    48_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I    49_B     I    49_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E    50_B     E    50_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D    51_B     D    51_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A    52_B     A    52_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Y    53_B     Y    53_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A    54_B     A    54_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A    55_B     A    55_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G    56_B     G    56_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R    57_B     R    57_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    58_B     L    58_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    59_B     L    59_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K    60_B     K    60_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    61_B     S    61_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     H    62_B     H    62_B    194  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G    63_B     G    63_B    194  226  226     91  139  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F    64_B     F    64_B    194  226  226     79  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     H    65_B     H    65_B    194  226  226     52  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F    66_B     F    66_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D    67_B     D    67_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V    68_B     V    68_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     C    69_B     C    69_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F    70_B     F    70_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    71_B     S    71_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    72_B     S    72_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Y    73_B     Y    73_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    74_B     L    74_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K    75_B     K    75_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R    76_B     R    76_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    77_B     S    77_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I    78_B     I    78_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R    79_B     R    79_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T    80_B     T    80_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M    81_B     M    81_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     W    82_B     W    82_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I    83_B     I    83_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V    84_B     V    84_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    85_B     L    85_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D    86_B     D    86_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V    87_B     V    87_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L    88_B     L    88_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D    89_B     D    89_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Q    90_B     Q    90_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M    91_B     M    91_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     H    92_B     H    92_B    194  226  226     79  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I    93_B     I    93_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Q    94_B     Q    94_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T    95_B     T    95_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I    96_B     I    96_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S    97_B     S    97_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N    98_B     N    98_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     W    99_B     W    99_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R   100_B     R   100_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   101_B     L   101_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   102_B     N   102_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   103_B     E   103_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     C   104_B     C   104_B    194  226  226     39  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     H   105_B     H   105_B    194  226  226     39  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F   106_B     F   106_B    194  226  226     52  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G   107_B     G   107_B    194  226  226     52  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   108_B     L   108_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   109_B     L   109_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T   110_B     T   110_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G   111_B     G   111_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M   112_B     M   112_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   113_B     N   113_B    194  226  226     35  128  186  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   114_B     K   114_B    194  226  226     32  110  167  206  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   115_B     E   115_B    194  226  226     35  103  165  205  212  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Q   116_B     Q   116_B    194  226  226     30  125  185  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   117_B     I   117_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     C   118_B     C   118_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T   119_B     T   119_B    194  226  226     70  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T   120_B     T   120_B    194  226  226     51  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   121_B     L   121_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T   122_B     T   122_B    194  226  226     56  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   123_B     E   123_B    194  226  226     51  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   124_B     E   124_B    194  226  226     14  127  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   125_B     E   125_B    194  226  226     51  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   126_B     L   126_B    194  226  226     23  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   127_B     N   127_B    194  226  226     12   48  187  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   128_B     I   128_B    194  226  226     12   71  190  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     W   129_B     W   129_B    194  226  226     12  100  189  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   130_B     K   130_B    194  226  226     12   17  113  206  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   131_B     K   131_B    194  226  226      5   48  113  206  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   132_B     D   132_B    194  226  226     10   83  187  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T   133_B     T   133_B    194  226  226     69  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     C   134_B     C   134_B    194  226  226     50  143  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   135_B     L   135_B    194  226  226     62  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Q   136_B     Q   136_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   137_B     P   137_B    194  226  226     52  141  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   138_B     P   138_B    194  226  226     30   82  182  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   139_B     P   139_B    194  226  226     24  125  189  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     C   140_B     C   140_B    194  226  226     65  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A   141_B     A   141_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   142_B     P   142_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G   143_B     G   143_B    194  226  226     13   39  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Q   144_B     Q   144_B    194  226  226     13  142  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   145_B     E   145_B    194  226  226     13   39  186  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   146_B     N   146_B    194  226  226      4   28  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   147_B     P   147_B    194  226  226      4   11   91  142  199  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S   148_B     S   148_B    194  226  226      4    4    8    9  131  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   149_B     D   149_B    194  226  226      4  102  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   150_B     D   150_B    194  226  226     18  138  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   151_B     P   151_B    194  226  226     69  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   152_B     K   152_B    194  226  226     69  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Y   153_B     Y   153_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   154_B     K   154_B    194  226  226     69  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   155_B     D   155_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   156_B     L   156_B    194  226  226     69  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   157_B     D   157_B    194  226  226     30  141  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   158_B     P   158_B    194  226  226      5   96  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R   159_B     R   159_B    194  226  226      5  125  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V   160_B     V   160_B    194  226  226      5  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   161_B     I   161_B    194  226  226     52  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   162_B     P   162_B    194  226  226     52  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   163_B     N   163_B    194  226  226     57  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G   164_B     G   164_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   165_B     E   165_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S   166_B     S   166_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   167_B     I   167_B    194  226  226     66  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   168_B     D   168_B    194  226  226     65  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M   169_B     M   169_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M   170_B     M   170_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     W   171_B     W   171_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   172_B     E   172_B    194  226  226     65  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R   173_B     R   173_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A   174_B     A   174_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   175_B     K   175_B    194  226  226     56  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   176_B     P   176_B    194  226  226     67  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Y   177_B     Y   177_B    194  226  226     67  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F   178_B     F   178_B    194  226  226     69  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   179_B     I   179_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   180_B     D   180_B    194  226  226     71  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Q   181_B     Q   181_B    194  226  226     74  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   182_B     I   182_B    194  226  226     75  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V   183_B     V   183_B    194  226  226     88  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     P   184_B     P   184_B    194  226  226     75  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R   185_B     R   185_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   186_B     L   186_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M   187_B     M   187_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   188_B     E   188_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G   189_B     G   189_B    194  226  226     91  139  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   190_B     K   190_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   191_B     K   191_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V   192_B     V   192_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   193_B     L   193_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   194_B     I   194_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V   195_B     V   195_B    194  226  226     88  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A   196_B     A   196_B    194  226  226     67  128  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     H   197_B     H   197_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G   198_B     G   198_B    194  226  226     91  136  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   199_B     N   199_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V   200_B     V   200_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M   201_B     M   201_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     R   202_B     R   202_B    194  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A   203_B     A   203_B    194  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M   204_B     M   204_B    194  226  226     91  144  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   205_B     K   205_B    194  226  226     85  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   206_B     K   206_B    194  226  226     79  129  187  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Y   207_B     Y   207_B    194  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   208_B     L   208_B    194  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     Q   209_B     Q   209_B    194  226  226     91  132  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   210_B     K   210_B    194  226  226     79  130  187  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     M   211_B     M   211_B    194  226  226     79  128  167  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   222_B     L   222_B     69  226  226      4   14   36  112  170  212  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S   223_B     S   223_B     69  226  226      3   14   23   80  153  205  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   224_B     N   224_B     69  226  226      4   13   23   80  169  212  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     G   225_B     G   225_B     69  226  226      4   13   23   80  178  214  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S   226_B     S   226_B     69  226  226      4   30  121  195  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     A   227_B     A   227_B     69  226  226     34  119  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   228_B     L   228_B     69  226  226     52  128  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     V   229_B     V   229_B     69  226  226     79  131  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F   230_B     F   230_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   231_B     K   231_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F   232_B     F   232_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     D   233_B     D   233_B     69  226  226     91  132  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   234_B     N   234_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     K   235_B     K   235_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     F   236_B     F   236_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     N   237_B     N   237_B     69  226  226     91  132  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   238_B     L   238_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     L   239_B     L   239_B     69  226  226     91  132  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   240_B     E   240_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     T   241_B     T   241_B     69  226  226     91  135  191  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   242_B     E   242_B     69  226  226     67  128  181  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   243_B     I   243_B     69  226  226     38  124  181  207  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     I   244_B     I   244_B     69  226  226     10  100  167  206  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     S   245_B     S   245_B     69  226  226      7   76  125  178  213  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_GDT     E   246_B     E   246_B     69  226  226      3   76  115  155  200  216  220  222  222  224  224  224  225  225  225  225  226  226  226  226 
LCS_AVERAGE  LCS_A:  92.72  (  78.15  100.00  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     91    144    191    207    213    216    220    222    222    224    224    224    225    225    225    225    226    226    226    226 
GDT PERCENT_AT  40.27  63.72  84.51  91.59  94.25  95.58  97.35  98.23  98.23  99.12  99.12  99.12  99.56  99.56  99.56  99.56 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.63   0.87   0.97   1.05   1.10   1.22   1.29   1.29   1.46   1.46   1.46   1.68   1.68   1.68   1.68   1.98   1.98   1.98   1.98
GDT RMS_ALL_AT   2.23   2.11   2.03   2.03   2.03   2.03   2.04   2.03   2.03   2.00   2.00   2.00   1.99   1.99   1.99   1.99   1.98   1.98   1.98   1.98

# Checking swapping
#   possible swapping detected:  F    17_B      F    17_B
#   possible swapping detected:  Y    36_B      Y    36_B
#   possible swapping detected:  Y    40_B      Y    40_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  F    70_B      F    70_B
#   possible swapping detected:  E   124_B      E   124_B
#   possible swapping detected:  E   125_B      E   125_B
#   possible swapping detected:  E   145_B      E   145_B
#   possible swapping detected:  D   155_B      D   155_B
#   possible swapping detected:  E   165_B      E   165_B
#   possible swapping detected:  E   172_B      E   172_B
#   possible swapping detected:  Y   177_B      Y   177_B
#   possible swapping detected:  F   178_B      F   178_B
#   possible swapping detected:  D   180_B      D   180_B
#   possible swapping detected:  E   188_B      E   188_B
#   possible swapping detected:  Y   207_B      Y   207_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    16.821     0    0.090   1.305    21.083    0.000    0.000
LGA    K    12_B      K    12_B    12.832     0    0.132   1.109    15.273    0.000    0.000
LGA    K    13_B      K    13_B     8.131     0    0.078   0.658     9.819    4.881   24.021
LGA    I    14_B      I    14_B     7.115     0    0.059   0.090     9.705   17.500   11.905
LGA    E    15_B      E    15_B     4.137     0    0.070   0.531     6.624   40.833   29.312
LGA    P    16_B      P    16_B     1.907     0    0.084   0.092     2.505   68.929   70.680
LGA    F    17_B      F    17_B     1.276     0    0.021   0.082     1.491   81.429   85.541
LGA    S    18_B      S    18_B     0.825     0    0.038   0.062     0.968   90.476   92.063
LGA    T    19_B      T    19_B     0.712     0    0.045   0.056     1.095   90.476   89.184
LGA    L    20_B      L    20_B     0.483     0    0.016   0.070     0.627   95.238   96.429
LGA    V    21_B      V    21_B     0.602     0    0.044   0.053     0.632   92.857   91.837
LGA    I    22_B      I    22_B     0.863     0    0.014   0.095     1.100   88.214   88.214
LGA    L    23_B      L    23_B     0.883     0    0.089   1.341     3.484   88.214   78.869
LGA    R    24_B      R    24_B     0.551     0    0.062   0.472     3.229   90.476   80.519
LGA    H    25_B      H    25_B     0.754     0    0.036   0.044     1.039   88.214   89.571
LGA    G    26_B      G    26_B     1.350     0    0.058   0.058     1.350   83.690   83.690
LGA    E    27_B      E    27_B     0.731     0    0.012   0.041     0.870   92.857   92.593
LGA    S    28_B      S    28_B     0.399     0    0.029   0.070     0.731   97.619   95.238
LGA    L    29_B      L    29_B     0.406     0    0.030   0.876     2.184   95.238   89.821
LGA    S    30_B      S    30_B     1.197     0    0.027   0.038     1.587   81.548   83.016
LGA    N    31_B      N    31_B     1.346     0    0.051   1.081     3.416   81.429   71.488
LGA    L    32_B      L    32_B     0.933     0    0.061   0.096     1.267   83.690   90.655
LGA    N    33_B      N    33_B     1.333     0    0.027   0.865     3.341   77.143   70.238
LGA    R    34_B      R    34_B     1.792     0    0.030   1.082     3.666   70.833   68.009
LGA    T    35_B      T    35_B     1.465     0    0.059   0.063     1.608   79.286   78.980
LGA    Y    36_B      Y    36_B     1.048     0    0.101   0.118     1.485   83.690   82.937
LGA    S    37_B      S    37_B     0.671     0    0.074   0.103     0.781   90.476   90.476
LGA    G    38_B      G    38_B     0.570     0    0.024   0.024     0.570   92.857   92.857
LGA    W    39_B      W    39_B     0.421     0    0.017   0.071     0.776  100.000   93.197
LGA    Y    40_B      Y    40_B     0.363     0    0.032   0.071     0.475  100.000  100.000
LGA    D    41_B      D    41_B     0.297     0    0.025   0.137     0.852  100.000   96.429
LGA    T    42_B      T    42_B     0.079     0    0.033   0.100     0.486  100.000  100.000
LGA    D    43_B      D    43_B     0.426     0    0.019   0.064     1.316  100.000   94.107
LGA    L    44_B      L    44_B     0.266     0    0.023   0.060     0.404  100.000  100.000
LGA    T    45_B      T    45_B     0.283     0    0.009   0.046     0.435  100.000  100.000
LGA    E    46_B      E    46_B     0.412     0    0.069   0.924     4.138  100.000   82.698
LGA    K    47_B      K    47_B     0.500     0    0.015   0.545     1.402   95.238   91.587
LGA    G    48_B      G    48_B     0.488     0    0.052   0.052     0.488  100.000  100.000
LGA    I    49_B      I    49_B     0.521     0    0.036   0.089     0.607   95.238   92.857
LGA    E    50_B      E    50_B     0.351     0    0.054   0.991     4.179  100.000   81.958
LGA    D    51_B      D    51_B     0.319     0    0.011   0.050     0.396  100.000  100.000
LGA    A    52_B      A    52_B     0.369     0    0.023   0.031     0.391  100.000  100.000
LGA    Y    53_B      Y    53_B     0.374     0    0.012   0.098     0.596  100.000   96.825
LGA    A    54_B      A    54_B     0.257     0    0.101   0.116     0.475  100.000  100.000
LGA    A    55_B      A    55_B     0.234     0    0.046   0.053     0.360  100.000  100.000
LGA    G    56_B      G    56_B     0.249     0    0.037   0.037     0.277  100.000  100.000
LGA    R    57_B      R    57_B     0.330     0    0.039   0.086     0.366  100.000  100.000
LGA    L    58_B      L    58_B     0.390     0    0.016   0.132     1.539  100.000   90.774
LGA    L    59_B      L    59_B     0.343     0    0.024   0.147     0.633   97.619   97.619
LGA    K    60_B      K    60_B     0.384     0    0.015   0.534     1.531  100.000   92.804
LGA    S    61_B      S    61_B     0.412     0    0.054   0.054     0.645   95.238   95.238
LGA    H    62_B      H    62_B     1.011     0    0.028   0.115     1.504   83.690   81.476
LGA    G    63_B      G    63_B     1.144     0    0.012   0.012     1.237   81.429   81.429
LGA    F    64_B      F    64_B     0.974     0    0.014   0.083     1.171   88.214   87.186
LGA    H    65_B      H    65_B     1.011     0    0.114   1.156     5.324   81.429   65.952
LGA    F    66_B      F    66_B     0.408     0    0.029   0.062     0.560   97.619   97.403
LGA    D    67_B      D    67_B     0.520     0    0.039   0.079     0.844   95.238   92.857
LGA    V    68_B      V    68_B     0.335     0    0.064   0.088     0.408  100.000  100.000
LGA    C    69_B      C    69_B     0.409     0    0.043   0.091     0.674  100.000   96.825
LGA    F    70_B      F    70_B     0.456     0    0.032   0.087     0.591   95.238   94.805
LGA    S    71_B      S    71_B     0.523     0    0.041   0.643     2.054   95.238   89.365
LGA    S    72_B      S    72_B     0.730     0    0.013   0.185     0.733   90.476   90.476
LGA    Y    73_B      Y    73_B     0.807     0    0.030   0.339     1.447   90.476   91.349
LGA    L    74_B      L    74_B     0.629     0    0.029   0.051     0.737   90.476   90.476
LGA    K    75_B      K    75_B     0.692     0    0.029   0.760     2.270   90.476   80.847
LGA    R    76_B      R    76_B     0.693     0    0.047   0.184     1.340   90.476   89.654
LGA    S    77_B      S    77_B     0.575     0    0.036   0.475     1.638   92.857   89.127
LGA    I    78_B      I    78_B     0.666     0    0.016   0.119     0.768   90.476   91.667
LGA    R    79_B      R    79_B     0.655     0    0.062   1.079     3.226   90.476   80.346
LGA    T    80_B      T    80_B     0.540     0    0.019   0.039     0.654   95.238   93.197
LGA    M    81_B      M    81_B     0.496     0    0.023   0.098     0.909   95.238   94.048
LGA    W    82_B      W    82_B     0.607     0    0.025   0.181     0.954   90.476   90.476
LGA    I    83_B      I    83_B     0.580     0    0.011   0.047     0.639   95.238   92.857
LGA    V    84_B      V    84_B     0.364     0    0.024   0.034     0.465  100.000  100.000
LGA    L    85_B      L    85_B     0.339     0    0.025   0.055     0.482  100.000  100.000
LGA    D    86_B      D    86_B     0.601     0    0.031   0.433     1.424   90.476   88.214
LGA    V    87_B      V    87_B     0.373     0    0.030   0.048     0.505  100.000   98.639
LGA    L    88_B      L    88_B     0.292     0    0.092   0.094     0.585   97.619   98.810
LGA    D    89_B      D    89_B     0.439     0    0.026   0.798     3.187   95.238   82.560
LGA    Q    90_B      Q    90_B     0.576     0    0.028   0.970     2.977   90.476   86.825
LGA    M    91_B      M    91_B     0.810     0    0.047   0.704     2.895   88.214   82.976
LGA    H    92_B      H    92_B     1.108     0    0.023   0.086     1.158   83.690   83.238
LGA    I    93_B      I    93_B     0.591     0    0.026   0.074     0.774   90.476   94.048
LGA    Q    94_B      Q    94_B     0.308     0    0.065   0.453     1.797  100.000   93.862
LGA    T    95_B      T    95_B     0.475     0    0.058   0.109     0.887   97.619   94.558
LGA    I    96_B      I    96_B     0.485     0    0.099   0.128     0.835  100.000   96.429
LGA    S    97_B      S    97_B     0.599     0    0.018   0.059     0.656   90.476   92.063
LGA    N    98_B      N    98_B     0.517     0    0.048   0.080     0.602   92.857   92.857
LGA    W    99_B      W    99_B     0.613     0    0.025   0.091     1.030   90.476   89.184
LGA    R   100_B      R   100_B     0.536     0    0.038   0.068     0.846   90.476   90.476
LGA    L   101_B      L   101_B     0.712     0    0.032   0.061     1.001   88.214   89.345
LGA    N   102_B      N   102_B     0.673     0    0.035   0.152     0.817   90.476   90.476
LGA    E   103_B      E   103_B     0.713     0    0.028   0.152     1.648   90.476   85.503
LGA    C   104_B      C   104_B     1.190     0    0.041   0.686     1.756   83.690   83.016
LGA    H   105_B      H   105_B     1.203     0    0.045   0.181     1.515   81.429   80.571
LGA    F   106_B      F   106_B     1.166     0    0.015   0.213     1.383   81.429   81.429
LGA    G   107_B      G   107_B     1.220     0    0.049   0.049     1.220   81.429   81.429
LGA    L   108_B      L   108_B     1.024     0    0.016   0.079     1.121   83.690   83.690
LGA    L   109_B      L   109_B     1.014     0    0.055   0.132     1.223   81.429   84.821
LGA    T   110_B      T   110_B     1.038     0    0.008   0.023     1.143   85.952   84.014
LGA    G   111_B      G   111_B     0.965     0    0.060   0.060     1.363   85.952   85.952
LGA    M   112_B      M   112_B     1.250     0    0.017   0.153     1.372   81.429   84.821
LGA    N   113_B      N   113_B     1.915     0    0.035   0.132     3.143   72.857   66.012
LGA    K   114_B      K   114_B     2.266     4    0.018   0.022     2.831   66.786   36.032
LGA    E   115_B      E   115_B     2.611     4    0.016   0.018     3.127   60.952   32.646
LGA    Q   116_B      Q   116_B     1.940     0    0.015   0.067     2.645   75.119   68.519
LGA    I   117_B      I   117_B     0.784     0    0.019   0.613     2.069   88.214   86.131
LGA    C   118_B      C   118_B     1.213     0    0.045   0.056     1.849   81.429   78.571
LGA    T   119_B      T   119_B     1.258     0    0.137   1.101     4.372   81.429   72.653
LGA    T   120_B      T   120_B     0.939     0    0.015   0.026     1.522   90.476   85.374
LGA    L   121_B      L   121_B     0.267     0    0.016   1.063     3.131  100.000   88.155
LGA    T   122_B      T   122_B     0.691     0    0.072   0.075     1.140   92.857   90.544
LGA    E   123_B      E   123_B     0.970     0    0.036   0.356     1.980   85.952   84.497
LGA    E   124_B      E   124_B     1.431     0    0.073   1.145     6.398   81.429   61.270
LGA    E   125_B      E   125_B     0.904     0    0.032   0.241     1.434   88.214   89.524
LGA    L   126_B      L   126_B     1.104     0    0.028   1.387     3.537   81.548   71.607
LGA    N   127_B      N   127_B     1.691     0    0.046   1.286     4.549   72.976   64.762
LGA    I   128_B      I   128_B     1.569     0    0.055   0.092     1.774   72.857   76.071
LGA    W   129_B      W   129_B     1.640     0    0.026   0.788     3.009   72.976   67.857
LGA    K   130_B      K   130_B     2.445     0    0.092   0.831     3.456   62.857   64.339
LGA    K   131_B      K   131_B     2.520     0    0.018   1.134     8.153   62.857   46.984
LGA    D   132_B      D   132_B     1.613     0    0.183   0.247     2.114   75.000   72.917
LGA    T   133_B      T   133_B     1.118     0    0.089   0.106     1.196   83.690   82.721
LGA    C   134_B      C   134_B     1.447     0    0.046   0.714     4.695   81.429   71.667
LGA    L   135_B      L   135_B     1.221     0    0.034   0.068     1.443   81.429   81.429
LGA    Q   136_B      Q   136_B     0.973     0    0.024   0.137     1.300   83.690   84.444
LGA    P   137_B      P   137_B     1.406     0    0.017   0.127     1.406   81.429   84.014
LGA    P   138_B      P   138_B     1.860     0    0.076   0.139     2.199   75.000   71.769
LGA    P   139_B      P   139_B     1.582     0    0.057   0.079     2.121   77.143   74.150
LGA    C   140_B      C   140_B     1.233     0    0.030   0.039     1.357   81.429   81.429
LGA    A   141_B      A   141_B     1.208     0    0.009   0.014     1.239   81.429   81.429
LGA    P   142_B      P   142_B     1.114     0    0.026   0.107     1.178   83.690   82.721
LGA    G   143_B      G   143_B     1.471     0    0.066   0.066     1.502   79.286   79.286
LGA    Q   144_B      Q   144_B     1.343     0    0.046   0.226     1.533   81.429   80.476
LGA    E   145_B      E   145_B     1.720     0    0.014   0.257     3.473   72.857   65.026
LGA    N   146_B      N   146_B     1.424     0    0.061   0.279     2.087   79.286   78.274
LGA    P   147_B      P   147_B     3.278     0    0.037   0.065     4.193   50.119   46.395
LGA    S   148_B      S   148_B     3.560     0    0.085   0.138     4.096   50.119   47.937
LGA    D   149_B      D   149_B     1.462     0    0.049   0.254     1.906   79.286   79.286
LGA    D   150_B      D   150_B     1.030     0    0.103   0.127     1.219   85.952   83.690
LGA    P   151_B      P   151_B     0.620     0    0.021   0.061     0.995   90.476   90.476
LGA    K   152_B      K   152_B     0.638     0    0.027   0.619     3.744   92.857   80.635
LGA    Y   153_B      Y   153_B     0.383     0    0.033   0.108     0.507   97.619   99.206
LGA    K   154_B      K   154_B     0.652     0    0.030   0.752     2.979   90.476   86.772
LGA    D   155_B      D   155_B     0.550     0    0.052   0.088     0.922   95.238   92.857
LGA    L   156_B      L   156_B     0.634     0    0.016   0.062     0.888   90.476   95.238
LGA    D   157_B      D   157_B     1.177     0    0.039   0.241     1.719   85.952   81.548
LGA    P   158_B      P   158_B     1.445     0    0.008   0.059     1.908   81.429   77.755
LGA    R   159_B      R   159_B     1.409     0    0.037   0.957     4.269   81.429   72.771
LGA    V   160_B      V   160_B     1.035     0    0.056   1.199     2.794   81.429   76.871
LGA    I   161_B      I   161_B     0.891     0    0.027   0.066     0.921   90.476   90.476
LGA    P   162_B      P   162_B     0.860     0    0.059   0.084     1.242   90.476   86.599
LGA    N   163_B      N   163_B     0.626     0    0.167   0.252     2.175   88.214   85.000
LGA    G   164_B      G   164_B     0.937     0    0.105   0.105     1.090   88.214   88.214
LGA    E   165_B      E   165_B     0.995     0    0.038   0.363     1.097   90.476   89.471
LGA    S   166_B      S   166_B     1.120     0    0.045   0.089     1.120   83.690   84.444
LGA    I   167_B      I   167_B     1.213     0    0.010   0.093     1.477   81.429   81.429
LGA    D   168_B      D   168_B     1.312     0    0.032   0.086     2.390   81.429   74.107
LGA    M   169_B      M   169_B     0.774     0    0.035   0.104     0.982   90.476   90.476
LGA    M   170_B      M   170_B     0.695     0    0.028   0.645     1.978   90.476   88.333
LGA    W   171_B      W   171_B     0.833     0    0.079   0.091     1.281   88.214   84.660
LGA    E   172_B      E   172_B     0.989     0    0.053   0.158     1.705   88.214   83.545
LGA    R   173_B      R   173_B     0.854     0    0.133   0.690     2.082   90.476   85.714
LGA    A   174_B      A   174_B     0.793     0    0.012   0.020     1.005   88.214   88.667
LGA    K   175_B      K   175_B     1.137     0    0.023   0.457     1.762   81.429   80.476
LGA    P   176_B      P   176_B     1.223     0    0.079   0.134     1.305   83.690   82.721
LGA    Y   177_B      Y   177_B     1.035     0    0.024   0.075     1.110   85.952   87.460
LGA    F   178_B      F   178_B     0.782     0    0.028   0.118     0.919   90.476   91.342
LGA    I   179_B      I   179_B     0.917     0    0.034   0.035     0.981   90.476   90.476
LGA    D   180_B      D   180_B     0.942     0    0.025   0.162     1.275   90.476   85.952
LGA    Q   181_B      Q   181_B     0.761     0    0.067   0.222     1.066   90.476   89.471
LGA    I   182_B      I   182_B     0.565     0    0.016   0.153     0.745   95.238   94.048
LGA    V   183_B      V   183_B     0.352     0    0.034   0.057     0.490  100.000  100.000
LGA    P   184_B      P   184_B     0.456     0    0.052   0.053     0.708   97.619   94.558
LGA    R   185_B      R   185_B     0.418     0    0.032   0.167     0.671  100.000   99.134
LGA    L   186_B      L   186_B     0.297     0    0.027   0.042     0.688   97.619   97.619
LGA    M   187_B      M   187_B     0.370     0    0.023   0.063     0.609   97.619   98.810
LGA    E   188_B      E   188_B     0.701     0    0.026   0.499     1.281   90.476   88.466
LGA    G   189_B      G   189_B     0.879     0    0.066   0.066     1.301   88.214   88.214
LGA    K   190_B      K   190_B     0.531     0    0.067   0.187     0.938   90.476   92.593
LGA    K   191_B      K   191_B     0.468     0    0.046   0.268     0.762   97.619   95.767
LGA    V   192_B      V   192_B     0.156     0    0.030   0.044     0.322  100.000  100.000
LGA    L   193_B      L   193_B     0.231     0    0.010   0.044     0.413  100.000  100.000
LGA    I   194_B      I   194_B     0.502     0    0.061   0.084     0.710   92.857   92.857
LGA    V   195_B      V   195_B     0.768     0    0.041   0.078     1.089   88.214   89.184
LGA    A   196_B      A   196_B     1.345     0    0.178   0.269     1.862   81.429   79.714
LGA    H   197_B      H   197_B     0.689     0    0.066   0.109     0.911   90.476   90.476
LGA    G   198_B      G   198_B     0.865     0    0.039   0.039     0.865   90.476   90.476
LGA    N   199_B      N   199_B     0.722     0    0.028   1.067     2.676   90.476   86.488
LGA    V   200_B      V   200_B     0.798     0    0.019   0.029     1.104   90.476   89.184
LGA    M   201_B      M   201_B     0.398     0    0.033   0.891     2.111   95.238   87.619
LGA    R   202_B      R   202_B     1.087     0    0.066   1.225     4.959   83.690   68.745
LGA    A   203_B      A   203_B     1.021     0    0.036   0.050     1.057   88.214   86.857
LGA    M   204_B      M   204_B     0.624     0    0.025   0.062     0.800   90.476   95.238
LGA    K   205_B      K   205_B     1.124     0    0.065   0.549     2.118   83.690   80.582
LGA    K   206_B      K   206_B     1.617     0    0.052   0.185     2.256   79.286   72.116
LGA    Y   207_B      Y   207_B     1.020     0    0.012   0.095     1.111   81.429   84.444
LGA    L   208_B      L   208_B     1.013     0    0.010   0.033     1.080   81.429   82.560
LGA    Q   209_B      Q   209_B     1.414     0    0.082   0.105     2.158   75.119   82.646
LGA    K   210_B      K   210_B     1.683     0    0.109   0.124     2.559   69.048   71.217
LGA    M   211_B      M   211_B     2.065     3    0.073   0.093     2.461   70.833   43.512
LGA    L   222_B      L   222_B     4.230     0    0.096   0.536     5.402   30.238   47.679
LGA    S   223_B      S   223_B     4.642     0    0.038   0.568     4.724   37.262   39.603
LGA    N   224_B      N   224_B     4.360     3    0.619   0.598     4.910   42.262   25.060
LGA    G   225_B      G   225_B     3.965     0    0.143   0.143     4.783   43.690   43.690
LGA    S   226_B      S   226_B     2.808     0    0.064   0.117     3.804   59.167   55.000
LGA    A   227_B      A   227_B     1.507     0    0.058   0.053     1.982   75.000   76.286
LGA    L   228_B      L   228_B     1.404     0    0.055   1.341     3.301   81.429   75.357
LGA    V   229_B      V   229_B     1.257     0    0.017   0.044     1.503   79.286   80.204
LGA    F   230_B      F   230_B     1.021     0    0.035   0.060     1.154   85.952   85.541
LGA    K   231_B      K   231_B     1.050     0    0.035   0.118     1.362   81.429   82.434
LGA    F   232_B      F   232_B     1.106     0    0.020   0.075     1.237   81.429   87.186
LGA    D   233_B      D   233_B     1.455     0    0.047   0.083     1.661   81.429   78.214
LGA    N   234_B      N   234_B     1.163     0    0.028   0.073     1.575   83.690   81.488
LGA    K   235_B      K   235_B     1.055     0    0.029   1.248     7.184   85.952   66.455
LGA    F   236_B      F   236_B     0.904     0    0.036   0.080     1.135   85.952   88.831
LGA    N   237_B      N   237_B     1.346     0    0.008   0.077     1.625   81.429   77.143
LGA    L   238_B      L   238_B     1.277     0    0.011   0.043     1.539   79.286   80.357
LGA    L   239_B      L   239_B     1.427     0    0.095   0.164     1.912   77.143   78.214
LGA    E   240_B      E   240_B     1.266     0    0.028   0.234     1.396   81.429   81.429
LGA    T   241_B      T   241_B     1.215     0    0.036   0.080     1.368   81.429   81.429
LGA    E   242_B      E   242_B     1.718     0    0.024   0.130     1.718   72.857   74.762
LGA    I   243_B      I   243_B     1.837     0    0.039   0.201     2.376   72.857   71.845
LGA    I   244_B      I   244_B     2.164     0    0.122   1.176     3.907   66.786   68.393
LGA    S   245_B      S   245_B     2.874     0    0.030   0.570     3.517   55.357   53.651
LGA    E   246_B      E   246_B     3.233     4    0.190   0.194     5.046   42.619   25.291

# 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):     1.982          1.948                  2.219           84.403   81.939

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  258  226    4.0    222    1.29    88.274    94.263    15.990

LGA_LOCAL      RMSD:   1.288  Number of atoms:  222  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.032  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   1.982  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.051766 * X  +   0.894906 * Y  +  -0.443243 * Z  +  40.045040
  Y_new =  -0.927487 * X  +   0.207636 * Y  +   0.310895 * Z  +  -2.851785
  Z_new =   0.370255 * X  +   0.395008 * Y  +   0.840762 * Z  +   7.701671 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.515041 -0.379283  0.439215   [DEG:  -86.8054  -21.7313   25.1651 ]
ZXZ: -2.182468  0.572108  0.753063   [DEG: -125.0462   32.7794   43.1473 ]
 
# END of job
