
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  249 ( 1930),  selected  230 , name one
# Molecule2: number of CA atoms  230 ( 1795),  selected  230 , 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:   230      15_B - 244_B       1.22     1.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   230      15_B - 244_B       1.22     1.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   226      15_B - 240_B       0.99     1.23
  LCS_AVERAGE:     96.58

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  230
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     A    15_B     A    15_B    226  230  230     23  135  197  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    16_B     F    16_B    226  230  230     26  150  206  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    17_B     Y    17_B    226  230  230     73  176  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    18_B     E    18_B    226  230  230     54  165  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    19_B     L    19_B    226  230  230     68  165  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    20_B     E    20_B    226  230  230      9  163  210  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    21_B     F    21_B    226  230  230     11  156  210  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    22_B     G    22_B    226  230  230     26  163  210  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P    23_B     P    23_B    226  230  230     91  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    24_B     R    24_B    226  230  230    102  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    25_B     T    25_B    226  230  230     78  184  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    26_B     I    26_B    226  230  230     84  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    27_B     M    27_B    226  230  230     82  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    28_B     T    28_B    226  230  230     82  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    29_B     L    29_B    226  230  230     89  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    30_B     A    30_B    226  230  230     78  185  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N    31_B     N    31_B    226  230  230     82  193  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    32_B     F    32_B    226  230  230     88  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P    33_B     P    33_B    226  230  230     15  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    34_B     D    34_B    226  230  230     11  193  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    35_B     D    35_B    226  230  230     15  177  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V    36_B     V    36_B    226  230  230     91  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    37_B     L    37_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P    38_B     P    38_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    39_B     L    39_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    40_B     L    40_B    226  230  230    111  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q    41_B     Q    41_B    226  230  230    118  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    42_B     M    42_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    43_B     E    43_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S    44_B     S    44_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    45_B     L    45_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    46_B     M    46_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    47_B     T    47_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    48_B     F    48_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    49_B     E    49_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    50_B     A    50_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    51_B     M    51_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    52_B     A    52_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    53_B     Y    53_B    226  230  230    102  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    54_B     L    54_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    55_B     R    55_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C    56_B     C    56_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    57_B     D    57_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    58_B     A    58_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    59_B     L    59_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V    60_B     V    60_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    61_B     E    61_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    62_B     L    62_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    63_B     G    63_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C    64_B     C    64_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    65_B     Y    65_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    66_B     D    66_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    67_B     G    67_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    68_B     R    68_B    226  230  230     29  184  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    69_B     A    69_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    70_B     L    70_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    71_B     E    71_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    72_B     I    72_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    73_B     A    73_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    74_B     R    74_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    75_B     L    75_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    76_B     L    76_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N    77_B     N    77_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    78_B     A    78_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    79_B     R    79_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    80_B     Y    80_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    81_B     L    81_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    82_B     G    82_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V    83_B     V    83_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    84_B     D    84_B    226  230  230    118  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    85_B     L    85_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    86_B     D    86_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q    87_B     Q    87_B    226  230  230     65  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    88_B     R    88_B    226  230  230     65  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    89_B     A    89_B    226  230  230     98  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    90_B     I    90_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    91_B     E    91_B    226  230  230     98  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    92_B     T    92_B    226  230  230     89  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    93_B     L    93_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    94_B     R    94_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    95_B     T    95_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    96_B     R    96_B    226  230  230    101  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    97_B     I    97_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    98_B     E    98_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    99_B     R    99_B    226  230  230     54  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   100_B     E   100_B    226  230  230     35  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   101_B     G   101_B    226  230  230    102  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M   102_B     M   102_B    226  230  230    110  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   103_B     S   103_B    226  230  230    111  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   104_B     D   104_B    226  230  230     81  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   105_B     R   105_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   106_B     A   106_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   107_B     D   107_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   108_B     T   108_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   109_B     V   109_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   110_B     V   110_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   111_B     D   111_B    226  230  230    106  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   112_B     D   112_B    226  230  230    118  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I   113_B     I   113_B    226  230  230     99  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   114_B     L   114_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   115_B     N   115_B    226  230  230    115  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   116_B     H   116_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   117_B     T   117_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   118_B     R   118_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   119_B     R   119_B    226  230  230     31  191  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   120_B     G   120_B    226  230  230      3    3   15  114  202  221  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   121_B     A   121_B    226  230  230     15  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   122_B     S   122_B    226  230  230     31  179  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   123_B     V   123_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   124_B     G   124_B    226  230  230     93  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   125_B     S   125_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   126_B     R   126_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   127_B     A   127_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   128_B     L   128_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   129_B     Y   129_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   130_B     L   130_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   131_B     L   131_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P   132_B     P   132_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   133_B     F   133_B    226  230  230    118  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   134_B     N   134_B    226  230  230    103  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   135_B     L   135_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   136_B     L   136_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   137_B     G   137_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   138_B     N   138_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   139_B     F   139_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   140_B     R   140_B    226  230  230    117  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   141_B     E   141_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P   142_B     P   142_B    226  230  230    109  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     K   143_B     K   143_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   144_B     R   144_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   145_B     L   145_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   146_B     L   146_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   147_B     D   147_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   148_B     S   148_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   149_B     L   149_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   150_B     A   150_B    226  230  230      8   27  207  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   151_B     E   151_B    226  230  230      3    5   73  115  202  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   152_B     R   152_B    226  230  230      3    5   73  125  216  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   153_B     S   153_B    226  230  230      3    4    5   12   30  201  224  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   154_B     V   154_B    226  230  230      0   19  155  206  220  222  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   155_B     A   155_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   156_B     A   156_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   157_B     V   157_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   158_B     V   158_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   159_B     S   159_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   160_B     V   160_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   161_B     F   161_B    226  230  230    118  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   162_B     G   162_B    226  230  230    115  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   163_B     D   163_B    226  230  230     91  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   164_B     S   164_B    226  230  230     80  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   165_B     A   165_B    226  230  230     65  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   166_B     E   166_B    226  230  230     65  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   167_B     A   167_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   168_B     T   168_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   169_B     R   169_B    226  230  230     54  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   170_B     V   170_B    226  230  230     49  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   171_B     R   171_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q   172_B     Q   172_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   173_B     S   173_B    226  230  230     49  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   174_B     Y   174_B    226  230  230     49  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   175_B     Y   175_B    226  230  230    101  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   176_B     R   176_B    226  230  230     91  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   177_B     R   177_B    226  230  230     49  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   178_B     C   178_B    226  230  230     91  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   179_B     G   179_B    226  230  230    101  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   180_B     V   180_B    226  230  230    111  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q   181_B     Q   181_B    226  230  230     89  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   182_B     G   182_B    226  230  230    110  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   183_B     L   183_B    226  230  230    115  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   184_B     E   184_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   185_B     L   185_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   186_B     H   186_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   187_B     T   187_B    226  230  230     50  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   188_B     R   188_B    226  230  230     65  185  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   189_B     D   189_B    226  230  230     44  167  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   190_B     D   190_B    226  230  230     81  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   191_B     G   191_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   192_B     T   192_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   193_B     V   193_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   194_B     F   194_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   195_B     T   195_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   196_B     G   196_B    226  230  230    110  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   197_B     S   197_B    226  230  230    103  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   198_B     D   198_B    226  230  230     61  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   199_B     G   199_B    226  230  230     98  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   200_B     F   200_B    226  230  230     89  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   201_B     Y   201_B    226  230  230    109  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   202_B     S   202_B    226  230  230    110  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   203_B     R   203_B    226  230  230    114  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   204_B     S   204_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   205_B     Y   205_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   206_B     S   206_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   207_B     R   207_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   208_B     A   208_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   209_B     C   209_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   210_B     L   210_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   211_B     H   211_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   212_B     A   212_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   213_B     L   213_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   214_B     L   214_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   215_B     A   215_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   216_B     E   216_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   217_B     C   217_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   218_B     G   218_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   219_B     L   219_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   220_B     T   220_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   221_B     V   221_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   222_B     V   222_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   223_B     R   223_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   224_B     S   224_B    226  230  230     66  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   225_B     A   225_B    226  230  230    111  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   226_B     S   226_B    226  230  230    118  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   227_B     N   227_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   228_B     L   228_B    226  230  230     65  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   229_B     F   229_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   230_B     A   230_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   231_B     H   231_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   232_B     C   232_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   233_B     V   233_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   234_B     T   234_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   235_B     V   235_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   236_B     L   236_B    226  230  230    119  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P   237_B     P   237_B    226  230  230    108  194  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   238_B     E   238_B    226  230  230     42  185  211  218  220  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   239_B     G   239_B    226  230  230      5   10   58  172  208  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   240_B     A   240_B    226  230  230      5   11   53  144  209  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   241_B     D   241_B      6  230  230      3    4    8   25   31   43   73  223  227  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q   242_B     Q   242_B      3  230  230      3    3    3    4   86  201  224  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   243_B     G   243_B      3  230  230      3    3   21  111  215  224  226  228  228  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   244_B     F   244_B      3  230  230      0    3    3   42   72   98  224  224  227  230  230  230  230  230  230  230  230  230  230  230 
LCS_AVERAGE  LCS_A:  98.86  (  96.58  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    119    194    211    218    220    224    226    228    228    230    230    230    230    230    230    230    230    230    230    230 
GDT PERCENT_AT  51.74  84.35  91.74  94.78  95.65  97.39  98.26  99.13  99.13 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.54   0.63   0.71   0.74   0.91   0.97   1.07   1.07   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22
GDT RMS_ALL_AT   1.27   1.25   1.25   1.25   1.25   1.23   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22

# Checking swapping
#   possible swapping detected:  F    16_B      F    16_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    20_B      E    20_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  F    48_B      F    48_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    53_B      Y    53_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  D    84_B      D    84_B
#   possible swapping detected:  E    91_B      E    91_B
#   possible swapping detected:  E   100_B      E   100_B
#   possible swapping detected:  F   133_B      F   133_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  E   166_B      E   166_B
#   possible swapping detected:  Y   174_B      Y   174_B
#   possible swapping detected:  D   189_B      D   189_B
#   possible swapping detected:  D   190_B      D   190_B
#   possible swapping detected:  D   198_B      D   198_B
#   possible swapping detected:  F   200_B      F   200_B
#   possible swapping detected:  Y   201_B      Y   201_B
#   possible swapping detected:  F   229_B      F   229_B
#   possible swapping detected:  E   238_B      E   238_B
#   possible swapping detected:  D   241_B      D   241_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    15_B      A    15_B     2.338     0    0.069   0.066     2.633   64.762   63.238
LGA    F    16_B      F    16_B     2.076     0    0.028   0.094     2.231   68.810   68.442
LGA    Y    17_B      Y    17_B     1.359     0    0.069   0.097     1.656   79.286   83.730
LGA    E    18_B      E    18_B     1.655     0    0.026   0.149     2.560   72.857   69.312
LGA    L    19_B      L    19_B     1.763     0    0.074   0.079     2.064   70.833   71.845
LGA    E    20_B      E    20_B     1.949     0    0.129   0.662     2.477   68.810   77.989
LGA    F    21_B      F    21_B     1.944     0    0.338   1.299     9.094   70.833   41.082
LGA    G    22_B      G    22_B     1.809     0    0.031   0.031     1.827   75.000   75.000
LGA    P    23_B      P    23_B     0.883     0    0.051   0.052     1.363   88.214   86.599
LGA    R    24_B      R    24_B     0.853     0    0.028   0.823     3.450   90.476   82.771
LGA    T    25_B      T    25_B     1.310     0    0.029   0.120     1.923   81.429   77.755
LGA    I    26_B      I    26_B     0.909     0    0.111   0.164     1.207   88.214   89.345
LGA    M    27_B      M    27_B     0.847     0    0.038   0.156     0.992   90.476   90.476
LGA    T    28_B      T    28_B     0.975     0    0.087   0.128     1.509   88.214   84.082
LGA    L    29_B      L    29_B     0.733     0    0.024   0.966     2.757   90.476   84.107
LGA    A    30_B      A    30_B     1.290     0    0.069   0.066     1.632   81.429   79.714
LGA    N    31_B      N    31_B     1.052     0    0.063   0.149     1.422   83.690   83.690
LGA    F    32_B      F    32_B     0.800     0    0.020   0.240     0.962   90.476   90.476
LGA    P    33_B      P    33_B     0.840     0    0.022   0.358     1.873   88.214   85.374
LGA    D    34_B      D    34_B     1.065     0    0.092   0.314     1.978   83.690   79.345
LGA    D    35_B      D    35_B     1.173     0    0.054   0.312     1.814   83.690   81.488
LGA    V    36_B      V    36_B     0.624     0    0.018   0.139     1.200   92.857   90.544
LGA    L    37_B      L    37_B     0.321     0    0.048   1.387     3.513  100.000   83.155
LGA    P    38_B      P    38_B     0.374     0    0.050   0.065     0.553  100.000   97.279
LGA    L    39_B      L    39_B     0.513     0    0.019   1.008     2.857   92.857   86.488
LGA    L    40_B      L    40_B     0.584     0    0.021   0.131     0.674   90.476   92.857
LGA    Q    41_B      Q    41_B     0.474     0    0.028   0.719     2.600   97.619   88.042
LGA    M    42_B      M    42_B     0.361     0    0.016   0.112     0.983  100.000   96.429
LGA    E    43_B      E    43_B     0.668     0    0.058   0.178     0.887   90.476   93.651
LGA    S    44_B      S    44_B     0.570     0    0.034   0.036     0.780   92.857   92.063
LGA    L    45_B      L    45_B     0.114     0    0.058   1.400     3.604  100.000   82.262
LGA    M    46_B      M    46_B     0.443     0    0.015   0.570     1.589   97.619   93.036
LGA    T    47_B      T    47_B     0.489     0    0.015   0.071     0.769  100.000   97.279
LGA    F    48_B      F    48_B     0.233     0    0.033   0.380     1.146  100.000   96.580
LGA    E    49_B      E    49_B     0.265     0    0.019   0.782     3.047  100.000   87.354
LGA    A    50_B      A    50_B     0.485     0    0.022   0.020     0.591   97.619   96.190
LGA    M    51_B      M    51_B     0.498     0    0.017   0.057     0.838  100.000   95.238
LGA    A    52_B      A    52_B     0.280     0    0.032   0.030     0.435  100.000  100.000
LGA    Y    53_B      Y    53_B     0.515     0    0.016   0.115     2.387   97.619   82.659
LGA    L    54_B      L    54_B     0.488     0    0.031   0.060     1.007   97.619   92.917
LGA    R    55_B      R    55_B     0.538     0    0.016   1.192     5.135   92.857   77.706
LGA    C    56_B      C    56_B     0.486     0    0.038   0.108     0.736   95.238   93.651
LGA    D    57_B      D    57_B     0.342     0    0.044   0.164     0.502  100.000   98.810
LGA    A    58_B      A    58_B     0.260     0    0.026   0.031     0.325  100.000  100.000
LGA    L    59_B      L    59_B     0.329     0    0.028   0.029     0.357  100.000  100.000
LGA    V    60_B      V    60_B     0.405     0    0.062   0.077     0.604   97.619   97.279
LGA    E    61_B      E    61_B     0.428     0    0.028   0.149     0.729  100.000   97.884
LGA    L    62_B      L    62_B     0.314     0    0.050   0.090     0.643   97.619   98.810
LGA    G    63_B      G    63_B     0.558     0    0.012   0.012     0.687   92.857   92.857
LGA    C    64_B      C    64_B     0.476     0    0.082   0.091     0.549   95.238   96.825
LGA    Y    65_B      Y    65_B     0.213     0    0.062   0.118     0.680  100.000   97.619
LGA    D    66_B      D    66_B     0.057     0    0.066   0.066     0.411  100.000  100.000
LGA    G    67_B      G    67_B     0.268     0    0.044   0.044     0.477  100.000  100.000
LGA    R    68_B      R    68_B     1.169     0    0.102   1.392     6.994   81.548   62.857
LGA    A    69_B      A    69_B     0.479     0    0.109   0.117     0.705   92.857   94.286
LGA    L    70_B      L    70_B     0.433     0    0.020   0.029     0.522   97.619   98.810
LGA    E    71_B      E    71_B     0.409     0    0.054   0.760     3.584   97.619   83.757
LGA    I    72_B      I    72_B     0.464     0    0.017   0.084     0.555   97.619   97.619
LGA    A    73_B      A    73_B     0.396     0    0.060   0.071     0.406  100.000  100.000
LGA    R    74_B      R    74_B     0.476     0    0.018   0.629     3.101   97.619   84.026
LGA    L    75_B      L    75_B     0.290     0    0.112   0.100     0.806   97.619   98.810
LGA    L    76_B      L    76_B     0.338     0    0.054   0.062     0.450  100.000  100.000
LGA    N    77_B      N    77_B     0.304     0    0.029   0.967     4.087  100.000   83.333
LGA    A    78_B      A    78_B     0.441     0    0.046   0.044     0.506   97.619   98.095
LGA    R    79_B      R    79_B     0.439     0    0.062   1.313     4.995   97.619   79.004
LGA    Y    80_B      Y    80_B     0.411     0    0.034   0.136     0.826  100.000   96.032
LGA    L    81_B      L    81_B     0.353     0    0.022   0.102     0.379  100.000  100.000
LGA    G    82_B      G    82_B     0.356     0    0.029   0.029     0.563   97.619   97.619
LGA    V    83_B      V    83_B     0.527     0    0.019   0.059     0.709   92.857   91.837
LGA    D    84_B      D    84_B     0.628     0    0.042   0.104     0.839   90.476   90.476
LGA    L    85_B      L    85_B     0.721     0    0.014   0.109     1.040   90.476   89.345
LGA    D    86_B      D    86_B     0.855     0    0.110   0.230     1.450   92.857   89.405
LGA    Q    87_B      Q    87_B     1.066     0    0.053   1.222     5.586   83.690   65.026
LGA    R    88_B      R    88_B     1.080     0    0.024   1.235     6.156   85.952   64.589
LGA    A    89_B      A    89_B     0.873     0    0.040   0.055     0.899   90.476   90.476
LGA    I    90_B      I    90_B     0.748     0    0.065   0.081     0.818   92.857   91.667
LGA    E    91_B      E    91_B     0.867     0    0.032   0.992     3.998   90.476   75.820
LGA    T    92_B      T    92_B     0.995     0    0.021   0.027     1.237   90.476   86.599
LGA    L    93_B      L    93_B     0.597     0    0.025   0.050     0.717   90.476   95.238
LGA    R    94_B      R    94_B     0.219     0    0.026   0.143     1.352  100.000   94.069
LGA    T    95_B      T    95_B     0.469     0    0.018   0.034     0.594   95.238   93.197
LGA    R    96_B      R    96_B     0.681     0    0.021   0.178     0.811   90.476   90.476
LGA    I    97_B      I    97_B     0.428     0    0.045   0.072     0.720   97.619   98.810
LGA    E    98_B      E    98_B     0.417     0    0.019   1.182     4.263   95.238   77.566
LGA    R    99_B      R    99_B     0.926     0    0.016   1.396     8.075   88.214   59.177
LGA    E   100_B      E   100_B     0.853     0    0.026   0.209     1.342   90.476   89.471
LGA    G   101_B      G   101_B     0.784     0    0.103   0.103     0.784   90.476   90.476
LGA    M   102_B      M   102_B     0.672     0    0.068   0.631     2.178   90.476   87.262
LGA    S   103_B      S   103_B     0.604     0    0.103   0.136     0.965   90.476   90.476
LGA    D   104_B      D   104_B     1.053     0    0.057   0.077     1.340   85.952   83.690
LGA    R   105_B      R   105_B     0.575     0    0.243   1.503     7.870   95.238   65.065
LGA    A   106_B      A   106_B     0.338     0    0.093   0.112     0.898   97.619   98.095
LGA    D   107_B      D   107_B     0.347     0    0.045   0.045     0.780  100.000   95.238
LGA    T   108_B      T   108_B     0.192     0    0.086   0.101     0.551   97.619   98.639
LGA    V   109_B      V   109_B     0.433     0    0.076   1.253     3.008   97.619   86.258
LGA    V   110_B      V   110_B     0.740     0    0.122   0.144     1.692   83.810   85.374
LGA    D   111_B      D   111_B     0.851     0    0.038   0.141     1.426   92.857   87.143
LGA    D   112_B      D   112_B     0.659     0    0.036   0.435     1.225   90.476   88.214
LGA    I   113_B      I   113_B     0.605     0    0.020   1.251     2.747   90.476   80.893
LGA    L   114_B      L   114_B     0.561     0    0.064   0.399     1.144   90.476   89.345
LGA    N   115_B      N   115_B     0.539     0    0.019   0.276     1.521   97.619   91.845
LGA    H   116_B      H   116_B     0.199     0    0.022   0.108     0.320  100.000  100.000
LGA    T   117_B      T   117_B     0.187     0    0.077   0.799     1.939  100.000   92.245
LGA    R   118_B      R   118_B     0.452     0    0.131   1.163     4.618   97.619   79.177
LGA    R   119_B      R   119_B     1.278     0    0.138   1.127     5.559   73.452   52.035
LGA    G   120_B      G   120_B     4.271     0    0.607   0.607     4.271   52.143   52.143
LGA    A   121_B      A   121_B     0.919     0    0.137   0.158     2.246   81.667   78.286
LGA    S   122_B      S   122_B     1.353     0    0.193   0.804     3.439   83.690   76.270
LGA    V   123_B      V   123_B     0.739     0    0.630   0.546     3.271   78.095   86.122
LGA    G   124_B      G   124_B     0.563     0    0.036   0.036     0.750   92.857   92.857
LGA    S   125_B      S   125_B     0.131     0    0.084   0.180     0.675   97.619   98.413
LGA    R   126_B      R   126_B     0.188     0    0.102   0.881     4.044  100.000   85.325
LGA    A   127_B      A   127_B     0.286     0    0.025   0.037     0.485  100.000  100.000
LGA    L   128_B      L   128_B     0.567     0    0.029   0.563     1.430   92.857   89.405
LGA    Y   129_B      Y   129_B     0.508     0    0.056   0.170     0.950   90.476   95.238
LGA    L   130_B      L   130_B     0.505     0    0.028   0.032     0.517   92.857   96.429
LGA    L   131_B      L   131_B     0.493     0    0.063   0.061     0.727   95.238   97.619
LGA    P   132_B      P   132_B     0.689     0    0.030   0.066     0.797   95.238   94.558
LGA    F   133_B      F   133_B     0.533     0    0.545   0.454     3.009   80.357   91.126
LGA    N   134_B      N   134_B     0.875     0    0.053   0.269     1.340   88.214   87.083
LGA    L   135_B      L   135_B     0.660     0    0.029   0.146     0.812   90.476   91.667
LGA    L   136_B      L   136_B     0.559     0    0.019   0.060     0.601   90.476   94.048
LGA    G   137_B      G   137_B     0.589     0    0.095   0.095     0.952   90.476   90.476
LGA    N   138_B      N   138_B     0.607     0    0.202   0.803     2.854   92.857   85.238
LGA    F   139_B      F   139_B     0.586     0    0.042   0.157     0.755   90.476   93.074
LGA    R   140_B      R   140_B     0.622     0    0.053   1.027     2.567   90.476   82.727
LGA    E   141_B      E   141_B     0.564     0    0.075   0.446     1.350   92.857   89.524
LGA    P   142_B      P   142_B     0.471     0    0.068   0.094     0.650  100.000   97.279
LGA    K   143_B      K   143_B     0.454     0    0.041   0.638     1.805   97.619   91.852
LGA    R   144_B      R   144_B     0.398     0    0.103   1.051     4.412  100.000   85.325
LGA    L   145_B      L   145_B     0.392     0    0.027   0.159     1.016   97.619   94.107
LGA    L   146_B      L   146_B     0.309     0    0.057   0.162     0.608  100.000   98.810
LGA    D   147_B      D   147_B     0.450     0    0.052   0.190     1.020  100.000   94.107
LGA    S   148_B      S   148_B     0.441     0    0.038   0.153     0.641   97.619   98.413
LGA    L   149_B      L   149_B     0.472     0    0.062   0.160     1.282   90.714   91.786
LGA    A   150_B      A   150_B     1.951     0    0.033   0.047     2.702   68.810   66.476
LGA    E   151_B      E   151_B     3.531     0    0.116   0.636     8.283   48.452   32.646
LGA    R   152_B      R   152_B     3.273     0    0.048   1.157     5.954   45.119   41.861
LGA    S   153_B      S   153_B     4.642     0    0.534   0.820     7.190   53.095   39.286
LGA    V   154_B      V   154_B     2.794     0    0.670   0.589     6.695   53.690   40.068
LGA    A   155_B      A   155_B     0.751     0    0.108   0.149     0.976   90.476   90.476
LGA    A   156_B      A   156_B     0.387     0    0.047   0.054     0.547   97.619   96.190
LGA    V   157_B      V   157_B     0.560     0    0.019   0.048     0.581   90.476   93.197
LGA    V   158_B      V   158_B     0.630     0    0.080   0.103     0.865   90.476   90.476
LGA    S   159_B      S   159_B     0.498     0    0.068   0.095     0.713   95.238   93.651
LGA    V   160_B      V   160_B     0.554     0    0.040   1.102     2.885   90.476   83.197
LGA    F   161_B      F   161_B     0.716     0    0.071   0.336     2.020   90.476   81.688
LGA    G   162_B      G   162_B     0.754     0    0.035   0.035     0.775   90.476   90.476
LGA    D   163_B      D   163_B     0.860     0    0.059   1.207     4.353   90.476   76.250
LGA    S   164_B      S   164_B     0.728     0    0.047   0.098     0.782   90.476   90.476
LGA    A   165_B      A   165_B     1.074     0    0.024   0.023     1.320   88.214   86.857
LGA    E   166_B      E   166_B     0.891     0    0.064   1.299     4.953   90.476   72.857
LGA    A   167_B      A   167_B     0.428     0    0.050   0.047     0.689   92.857   94.286
LGA    T   168_B      T   168_B     0.591     0    0.054   0.114     0.783   90.476   90.476
LGA    R   169_B      R   169_B     1.080     0    0.021   1.009     4.899   88.214   73.896
LGA    V   170_B      V   170_B     0.914     0    0.031   0.058     1.228   90.476   87.891
LGA    R   171_B      R   171_B     0.291     0    0.030   0.110     0.789  100.000   94.805
LGA    Q   172_B      Q   172_B     0.624     0    0.044   0.429     2.959   92.857   81.111
LGA    S   173_B      S   173_B     1.100     0    0.028   0.054     1.704   85.952   83.016
LGA    Y   174_B      Y   174_B     0.931     0    0.027   0.150     1.465   88.214   85.198
LGA    Y   175_B      Y   175_B     0.563     0    0.037   0.055     0.665   90.476   95.238
LGA    R   176_B      R   176_B     0.844     0    0.022   0.250     1.906   90.476   82.381
LGA    R   177_B      R   177_B     0.954     0    0.030   0.930     2.859   90.476   80.952
LGA    C   178_B      C   178_B     0.692     0    0.161   0.173     0.784   90.476   90.476
LGA    G   179_B      G   179_B     0.621     0    0.164   0.164     0.942   90.476   90.476
LGA    V   180_B      V   180_B     0.446     0    0.061   0.066     0.739   95.238   94.558
LGA    Q   181_B      Q   181_B     0.831     0    0.052   0.840     2.143   90.476   84.603
LGA    G   182_B      G   182_B     0.528     0    0.066   0.066     0.673   90.476   90.476
LGA    L   183_B      L   183_B     0.442     0    0.066   0.135     0.979   97.619   95.238
LGA    E   184_B      E   184_B     0.460     0    0.054   0.115     0.715  100.000   94.709
LGA    L   185_B      L   185_B     0.692     0    0.022   0.216     0.961   90.476   90.476
LGA    H   186_B      H   186_B     0.660     0    0.020   0.067     0.694   90.476   92.381
LGA    T   187_B      T   187_B     1.007     0    0.027   0.033     1.299   85.952   84.014
LGA    R   188_B      R   188_B     1.327     0    0.068   1.371     6.516   77.143   59.048
LGA    D   189_B      D   189_B     1.795     0    0.066   0.271     2.967   72.857   65.952
LGA    D   190_B      D   190_B     1.017     0    0.289   1.237     4.040   79.286   72.679
LGA    G   191_B      G   191_B     0.529     0    0.067   0.067     1.287   88.214   88.214
LGA    T   192_B      T   192_B     0.602     0    0.046   0.064     1.031   90.595   91.905
LGA    V   193_B      V   193_B     0.427     0    0.021   0.132     1.078   97.619   94.626
LGA    F   194_B      F   194_B     0.269     0    0.042   0.103     0.487  100.000  100.000
LGA    T   195_B      T   195_B     0.079     0    0.021   0.068     0.454  100.000  100.000
LGA    G   196_B      G   196_B     0.458     0    0.026   0.026     0.483  100.000  100.000
LGA    S   197_B      S   197_B     0.654     0    0.024   0.029     0.840   90.476   90.476
LGA    D   198_B      D   198_B     0.863     0    0.131   0.863     2.957   88.214   78.631
LGA    G   199_B      G   199_B     0.781     0    0.019   0.019     0.975   90.476   90.476
LGA    F   200_B      F   200_B     0.819     0    0.024   0.043     0.874   90.476   90.476
LGA    Y   201_B      Y   201_B     0.570     0    0.048   0.081     0.781   90.476   90.476
LGA    S   202_B      S   202_B     0.444     0    0.039   0.104     0.563   97.619   96.825
LGA    R   203_B      R   203_B     0.779     0    0.059   0.862     2.865   90.476   82.727
LGA    S   204_B      S   204_B     0.411     0    0.062   0.115     0.541   97.619   96.825
LGA    Y   205_B      Y   205_B     0.325     0    0.054   0.236     1.435  100.000   92.222
LGA    S   206_B      S   206_B     0.358     0    0.023   0.165     0.579   97.619   96.825
LGA    R   207_B      R   207_B     0.584     0    0.034   1.215     4.726   97.619   81.342
LGA    A   208_B      A   208_B     0.369     0    0.024   0.022     0.411  100.000  100.000
LGA    C   209_B      C   209_B     0.241     0    0.021   0.802     2.643  100.000   92.857
LGA    L   210_B      L   210_B     0.236     0    0.038   0.068     0.500  100.000   98.810
LGA    H   211_B      H   211_B     0.308     0    0.020   0.521     1.669  100.000   94.476
LGA    A   212_B      A   212_B     0.354     0    0.014   0.017     0.403  100.000  100.000
LGA    L   213_B      L   213_B     0.213     0    0.023   0.061     0.364  100.000  100.000
LGA    L   214_B      L   214_B     0.237     0    0.069   0.072     0.325  100.000  100.000
LGA    A   215_B      A   215_B     0.517     0    0.018   0.022     0.696   97.619   96.190
LGA    E   216_B      E   216_B     0.333     0    0.045   0.687     2.726  100.000   88.148
LGA    C   217_B      C   217_B     0.252     0    0.093   0.119     0.540   97.619   98.413
LGA    G   218_B      G   218_B     0.346     0    0.123   0.123     0.346  100.000  100.000
LGA    L   219_B      L   219_B     0.213     0    0.034   0.068     0.304  100.000  100.000
LGA    T   220_B      T   220_B     0.362     0    0.030   0.134     0.730  100.000   98.639
LGA    V   221_B      V   221_B     0.537     0    0.098   0.112     0.731   92.857   91.837
LGA    V   222_B      V   222_B     0.579     0    0.141   1.088     2.959   88.214   81.905
LGA    R   223_B      R   223_B     0.831     0    0.024   0.948     6.135   90.476   59.697
LGA    S   224_B      S   224_B     1.189     0    0.153   0.538     2.162   79.286   77.222
LGA    A   225_B      A   225_B     0.842     0    0.036   0.057     0.932   90.476   90.476
LGA    S   226_B      S   226_B     0.727     0    0.117   0.148     1.161   88.214   88.968
LGA    N   227_B      N   227_B     0.458     0    0.027   0.048     0.652   95.238   97.619
LGA    L   228_B      L   228_B     0.968     0    0.090   0.086     1.844   90.476   82.738
LGA    F   229_B      F   229_B     0.415     0    0.057   1.354     6.699   92.857   62.944
LGA    A   230_B      A   230_B     0.382     0    0.049   0.050     0.623   97.619   98.095
LGA    H   231_B      H   231_B     0.600     0    0.027   0.053     0.704   90.476   90.476
LGA    C   232_B      C   232_B     0.578     0    0.027   0.053     0.599   90.476   90.476
LGA    V   233_B      V   233_B     0.668     0    0.021   0.048     0.695   90.476   90.476
LGA    T   234_B      T   234_B     0.539     0    0.017   0.051     0.604   90.476   90.476
LGA    V   235_B      V   235_B     0.549     0    0.050   0.069     0.669   90.476   90.476
LGA    L   236_B      L   236_B     0.362     0    0.075   0.126     1.048   97.619   94.107
LGA    P   237_B      P   237_B     0.522     0    0.038   0.063     1.375   90.595   87.959
LGA    E   238_B      E   238_B     1.307     0    0.105   0.311     2.246   75.357   84.815
LGA    G   239_B      G   239_B     3.718     0    0.051   0.051     4.986   42.262   42.262
LGA    A   240_B      A   240_B     3.649     0    0.701   0.651     4.152   45.119   47.524
LGA    D   241_B      D   241_B     7.088     0    0.683   1.150    12.130   14.405    7.262
LGA    Q   242_B      Q   242_B     4.962     0    0.232   0.850     6.161   32.976   27.249
LGA    G   243_B      G   243_B     3.752     0    0.656   0.656     4.042   43.452   43.452
LGA    F   244_B      F   244_B     5.734     0    0.350   0.470    10.811   21.548    9.654

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      230     920    920  100.00    1795   1795  100.00               230
SUMMARY(RMSD_GDC):     1.217          1.208                  1.813           89.861   85.947

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  230    4.0    228    1.07    94.565    97.149    19.544

LGA_LOCAL      RMSD:   1.067  Number of atoms:  228  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.220  Number of assigned atoms:  230 
Std_ASGN_ATOMS RMSD:   1.217  Standard rmsd on all 230 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.075957 * X  +  -0.932387 * Y  +  -0.353390 * Z  +   7.046989
  Y_new =   0.988751 * X  +   0.116229 * Y  +  -0.094141 * Z  +  20.879457
  Z_new =   0.128851 * X  +  -0.342264 * Y  +   0.930727 * Z  + -18.795918 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.494126 -0.129210 -0.352389   [DEG:   85.6071   -7.4032  -20.1904 ]
ZXZ: -1.310447  0.374401  2.781538   [DEG:  -75.0831   21.4516  159.3704 ]
 
# END of job
