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

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

# Molecule1: number of CA atoms  249 ( 2004),  selected  226 , name one
# Molecule2: number of CA atoms  226 ( 1803),  selected  226 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   226      23_B - 248_B       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   226      23_B - 248_B       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   156      23_B - 178_B       0.98     1.09
  LCS_AVERAGE:     56.35

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  226
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     R    23_B     R    23_B    156  226  226     71  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Y    24_B     Y    24_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K    25_B     K    25_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A    26_B     A    26_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E    27_B     E    27_B    156  226  226    123  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I    28_B     I    28_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G    29_B     G    29_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    30_B     S    30_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V    31_B     V    31_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    32_B     S    32_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P    33_B     P    33_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T    34_B     T    34_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T    35_B     T    35_B    156  226  226    118  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    36_B     S    36_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R    37_B     R    37_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D    38_B     D    38_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T    39_B     T    39_B    156  226  226    123  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F    40_B     F    40_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E    41_B     E    41_B    156  226  226    123  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D    42_B     D    42_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H    43_B     H    43_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D    44_B     D    44_B    156  226  226    120  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T    45_B     T    45_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     C    46_B     C    46_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F    47_B     F    47_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L    48_B     L    48_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G    49_B     G    49_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V    50_B     V    50_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    51_B     S    51_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L    52_B     L    52_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E    53_B     E    53_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     N    54_B     N    54_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    55_B     S    55_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     N    56_B     N    56_B    156  226  226    107  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F    57_B     F    57_B    156  226  226    118  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K    58_B     K    58_B    156  226  226    125  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P    59_B     P    59_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A    60_B     A    60_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K    61_B     K    61_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V    62_B     V    62_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D    63_B     D    63_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A    64_B     A    64_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     M    65_B     M    65_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A    66_B     A    66_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K    67_B     K    67_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     W    68_B     W    68_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I    69_B     I    69_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    70_B     S    70_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R    71_B     R    71_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R    72_B     R    72_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F    73_B     F    73_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    74_B     S    74_B    156  226  226     76  173  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q    75_B     Q    75_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     C    76_B     C    76_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T    77_B     T    77_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V    78_B     V    78_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L    79_B     L    79_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I    80_B     I    80_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G    81_B     G    81_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D    82_B     D    82_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    83_B     S    83_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I    84_B     I    84_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H    85_B     H    85_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R    86_B     R    86_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I    87_B     I    87_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T    88_B     T    88_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L    89_B     L    89_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E    90_B     E    90_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    91_B     S    91_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T    92_B     T    92_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R    93_B     R    93_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S    94_B     S    94_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     M    95_B     M    95_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P    96_B     P    96_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P    97_B     P    97_B    156  226  226     15  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R    98_B     R    98_B    156  226  226     32  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A    99_B     A    99_B    156  226  226    115  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   100_B     A   100_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   101_B     L   101_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   102_B     D   102_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   103_B     D   103_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   104_B     A   104_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   105_B     L   105_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   106_B     R   106_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   107_B     L   107_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   108_B     G   108_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   109_B     R   109_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   110_B     E   110_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   111_B     F   111_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   112_B     V   112_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   113_B     E   113_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   114_B     S   114_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   115_B     R   115_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q   116_B     Q   116_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P   117_B     P   117_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   118_B     V   118_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   119_B     F   119_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   120_B     E   120_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   121_B     S   121_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   122_B     F   122_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   123_B     R   123_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   124_B     D   124_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   125_B     R   125_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T   126_B     T   126_B    156  226  226    107  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K   127_B     K   127_B    156  226  226     76  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   128_B     F   128_B    156  226  226    129  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T   129_B     T   129_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   130_B     F   130_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   131_B     V   131_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T   132_B     T   132_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     C   133_B     C   133_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   134_B     S   134_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   135_B     E   135_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   136_B     V   136_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q   137_B     Q   137_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   138_B     S   138_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     W   139_B     W   139_B    156  226  226    115  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   140_B     G   140_B    156  226  226     63  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   141_B     L   141_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Y   142_B     Y   142_B    156  226  226     69  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   143_B     G   143_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   144_B     D   144_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Y   145_B     Y   145_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H   146_B     H   146_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   147_B     E   147_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   148_B     R   148_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   149_B     L   149_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   150_B     R   150_B    156  226  226     61  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q   151_B     Q   151_B    156  226  226     61  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H   152_B     H   152_B    156  226  226    120  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Y   153_B     Y   153_B    156  226  226    126  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   154_B     D   154_B    156  226  226     26  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q   155_B     Q   155_B    156  226  226     26  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   156_B     D   156_B    156  226  226     37  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   157_B     A   157_B    156  226  226     37  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   158_B     A   158_B    156  226  226     37  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   159_B     F   159_B    156  226  226    125  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   160_B     R   160_B    156  226  226    118  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   161_B     G   161_B    156  226  226     25  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   162_B     S   162_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   163_B     V   163_B    156  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   164_B     E   164_B    156  226  226     25  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   165_B     A   165_B    156  226  226     20  166  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   166_B     F   166_B    156  226  226      9  116  195  213  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   167_B     G   167_B    156  226  226      9  157  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   168_B     R   168_B    156  226  226     59  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   169_B     D   169_B    156  226  226      8   54  199  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Y   170_B     Y   170_B    156  226  226      8   29   86  201  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H   171_B     H   171_B    156  226  226      8   35  113  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   172_B     G   172_B    156  226  226      8   35  146  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K   173_B     K   173_B    156  226  226      5   34  116  215  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   174_B     R   174_B    156  226  226      5   33  107  214  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   175_B     S   175_B    156  226  226      6   31   96  214  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   176_B     E   176_B    156  226  226     15   28   79  170  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   177_B     G   177_B    156  226  226      9   30   72  168  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   178_B     V   178_B    156  226  226     15   42  157  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   179_B     S   179_B     44  226  226     15   44  168  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   180_B     A   180_B     44  226  226     15  126  194  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q   181_B     Q   181_B     44  226  226     15   36  177  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   182_B     E   182_B     44  226  226     15   44  182  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   183_B     L   183_B     44  226  226     18  144  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   184_B     D   184_B     65  226  226     71  173  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H   185_B     H   185_B     65  226  226     20  160  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   186_B     R   186_B     65  226  226     18  154  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I   187_B     I   187_B     65  226  226     65  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   188_B     R   188_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K   189_B     K   189_B     65  226  226     36  174  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   190_B     S   190_B     65  226  226     15   33  202  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   191_B     S   191_B     65  226  226     32  163  202  215  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   192_B     E   192_B     65  226  226    129  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Y   193_B     Y   193_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   194_B     F   194_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   195_B     L   195_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   196_B     E   196_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   197_B     E   197_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   198_B     F   198_B     65  226  226    118  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   199_B     A   199_B     65  226  226    118  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I   200_B     I   200_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   201_B     F   201_B     65  226  226    118  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   202_B     A   202_B     65  226  226     69  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     C   203_B     C   203_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   204_B     L   204_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q   205_B     Q   205_B     65  226  226     69  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   206_B     R   206_B     65  226  226     63  174  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T   207_B     T   207_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   208_B     G   208_B     65  226  226     76  173  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   209_B     S   209_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P   210_B     P   210_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   211_B     V   211_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     M   212_B     M   212_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   213_B     V   213_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Y   214_B     Y   214_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P   215_B     P   215_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   216_B     G   216_B     65  226  226      4  125  194  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   217_B     S   217_B     65  226  226      4   94  181  209  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     F   218_B     F   218_B     65  226  226     33  141  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   219_B     S   219_B     65  226  226     10  164  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     T   220_B     T   220_B     65  226  226     10  164  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   221_B     L   221_B     65  226  226     20  125  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   222_B     S   222_B     65  226  226     22  160  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   223_B     E   223_B     65  226  226     22  165  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I   224_B     I   224_B     65  226  226     17   44  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   225_B     A   225_B     65  226  226     17   44  138  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     Q   226_B     Q   226_B     65  226  226     17   44  138  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   227_B     G   227_B     65  226  226     17   44  195  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K   228_B     K   228_B     65  226  226     22  135  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H   229_B     H   229_B     65  226  226     20  174  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P   230_B     P   230_B     65  226  226     20  174  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   231_B     G   231_B     65  226  226     20  168  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     A   232_B     A   232_B     65  226  226      6  166  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     P   233_B     P   233_B     65  226  226     22  166  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   234_B     E   234_B     65  226  226     20  166  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     E   235_B     E   235_B     65  226  226      4  168  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   236_B     L   236_B     65  226  226     73  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     R   237_B     R   237_B     65  226  226    100  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     D   238_B     D   238_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   239_B     L   239_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     I   240_B     I   240_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   241_B     V   241_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     V   242_B     V   242_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     S   243_B     S   243_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   244_B     L   244_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     H   245_B     H   245_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     L   246_B     L   246_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     K   247_B     K   247_B     65  226  226    132  175  203  216  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_GDT     G   248_B     G   248_B     65  226  226     52  175  203  213  224  226  226  226  226  226  226  226  226  226  226  226  226  226  226  226 
LCS_AVERAGE  LCS_A:  85.45  (  56.35  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    132    175    203    216    224    226    226    226    226    226    226    226    226    226    226    226    226    226    226    226 
GDT PERCENT_AT  58.41  77.43  89.82  95.58  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.47   0.68   0.91   1.01   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07
GDT RMS_ALL_AT   1.16   1.16   1.12   1.08   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07

# Checking swapping
#   possible swapping detected:  Y    24_B      Y    24_B
#   possible swapping detected:  F    40_B      F    40_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  E    53_B      E    53_B
#   possible swapping detected:  F    57_B      F    57_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  Y   142_B      Y   142_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  F   159_B      F   159_B
#   possible swapping detected:  E   164_B      E   164_B
#   possible swapping detected:  Y   170_B      Y   170_B
#   possible swapping detected:  E   192_B      E   192_B
#   possible swapping detected:  E   196_B      E   196_B
#   possible swapping detected:  E   197_B      E   197_B
#   possible swapping detected:  Y   214_B      Y   214_B
#   possible swapping detected:  E   223_B      E   223_B
#   possible swapping detected:  E   234_B      E   234_B
#   possible swapping detected:  E   235_B      E   235_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    23_B      R    23_B     0.596     0    0.061   0.141     2.398   92.976   80.346
LGA    Y    24_B      Y    24_B     0.473     0    0.033   0.102     0.559   95.238   98.413
LGA    K    25_B      K    25_B     0.838     0    0.046   0.574     1.106   90.476   90.582
LGA    A    26_B      A    26_B     0.776     0    0.029   0.032     0.909   90.476   90.476
LGA    E    27_B      E    27_B     1.141     0    0.067   0.725     2.201   88.214   82.646
LGA    I    28_B      I    28_B     0.787     0    0.032   0.090     0.880   90.476   90.476
LGA    G    29_B      G    29_B     0.843     0    0.133   0.133     0.843   92.857   92.857
LGA    S    30_B      S    30_B     0.599     0    0.033   0.593     1.640   95.238   90.714
LGA    V    31_B      V    31_B     0.359     0    0.082   0.149     0.533   97.619   98.639
LGA    S    32_B      S    32_B     0.509     0    0.011   0.676     2.424   92.857   87.778
LGA    P    33_B      P    33_B     0.578     0    0.033   0.037     0.578   92.857   94.558
LGA    T    34_B      T    34_B     0.498     0    0.064   1.108     2.621   95.238   85.034
LGA    T    35_B      T    35_B     0.611     0    0.063   0.068     0.955   95.238   93.197
LGA    S    36_B      S    36_B     0.467     0    0.079   0.529     1.122  100.000   95.317
LGA    R    37_B      R    37_B     0.730     0    0.047   0.527     1.362   90.595   88.052
LGA    D    38_B      D    38_B     0.792     0    0.161   0.274     2.185   88.214   83.869
LGA    T    39_B      T    39_B     0.694     0    0.033   0.044     0.848   90.476   91.837
LGA    F    40_B      F    40_B     0.702     0    0.062   0.119     0.998   90.476   90.476
LGA    E    41_B      E    41_B     0.821     0    0.060   0.647     2.811   90.476   84.762
LGA    D    42_B      D    42_B     0.704     0    0.067   0.166     1.354   90.476   89.345
LGA    H    43_B      H    43_B     0.689     0    0.107   0.124     1.100   88.214   89.571
LGA    D    44_B      D    44_B     0.528     0    0.147   0.829     3.266   92.857   79.048
LGA    T    45_B      T    45_B     0.663     0    0.033   0.077     0.767   90.476   90.476
LGA    C    46_B      C    46_B     0.631     0    0.027   0.045     0.654   90.476   90.476
LGA    F    47_B      F    47_B     0.538     0    0.059   0.055     0.656   90.476   90.476
LGA    L    48_B      L    48_B     0.476     0    0.022   0.070     0.820  100.000   95.238
LGA    G    49_B      G    49_B     0.423     0    0.026   0.026     0.625   97.619   97.619
LGA    V    50_B      V    50_B     0.500     0    0.054   0.132     0.719   97.619   95.918
LGA    S    51_B      S    51_B     0.554     0    0.068   0.710     2.444   90.476   86.190
LGA    L    52_B      L    52_B     0.228     0    0.036   0.065     0.309  100.000  100.000
LGA    E    53_B      E    53_B     0.200     0    0.267   0.443     1.074   95.357   96.878
LGA    N    54_B      N    54_B     0.501     0    0.038   0.228     1.044   95.238   92.917
LGA    S    55_B      S    55_B     0.480     0    0.104   0.226     0.652   97.619   98.413
LGA    N    56_B      N    56_B     0.565     0    0.060   0.317     1.227   92.857   90.536
LGA    F    57_B      F    57_B     0.619     0    0.051   0.161     0.956   90.476   94.805
LGA    K    58_B      K    58_B     0.556     0    0.035   0.387     1.212   95.238   92.646
LGA    P    59_B      P    59_B     0.254     0    0.107   0.110     0.519   97.619   98.639
LGA    A    60_B      A    60_B     0.500     0    0.060   0.055     0.728   92.857   92.381
LGA    K    61_B      K    61_B     0.396     0    0.022   0.095     0.621  100.000   98.942
LGA    V    62_B      V    62_B     0.320     0    0.072   0.181     0.557  100.000   98.639
LGA    D    63_B      D    63_B     0.338     0    0.040   0.111     1.127   97.619   94.107
LGA    A    64_B      A    64_B     0.538     0    0.036   0.044     0.615   92.857   92.381
LGA    M    65_B      M    65_B     0.561     0    0.094   0.201     0.953   95.238   92.857
LGA    A    66_B      A    66_B     0.447     0    0.033   0.035     0.579  100.000   98.095
LGA    K    67_B      K    67_B     0.451     0    0.087   0.481     1.993   95.238   88.624
LGA    W    68_B      W    68_B     0.760     0    0.056   0.141     1.089   90.476   89.184
LGA    I    69_B      I    69_B     0.747     0    0.104   0.128     0.990   90.476   90.476
LGA    S    70_B      S    70_B     0.680     0    0.166   0.645     1.923   90.476   86.032
LGA    R    71_B      R    71_B     0.759     0    0.064   0.708     1.905   88.214   86.407
LGA    R    72_B      R    72_B     0.949     0    0.034   1.004     3.256   85.952   83.506
LGA    F    73_B      F    73_B     0.941     0    0.030   0.100     1.183   90.476   88.009
LGA    S    74_B      S    74_B     1.168     0    0.069   0.079     1.792   85.952   81.587
LGA    Q    75_B      Q    75_B     0.666     0    0.028   0.692     2.044   90.476   87.672
LGA    C    76_B      C    76_B     0.542     0    0.063   0.065     0.640   90.476   90.476
LGA    T    77_B      T    77_B     0.464     0    0.052   0.073     0.547   97.619   98.639
LGA    V    78_B      V    78_B     0.325     0    0.051   0.062     0.427  100.000  100.000
LGA    L    79_B      L    79_B     0.244     0    0.017   0.050     0.306  100.000  100.000
LGA    I    80_B      I    80_B     0.277     0    0.027   0.084     0.335  100.000  100.000
LGA    G    81_B      G    81_B     0.387     0    0.082   0.082     0.387  100.000  100.000
LGA    D    82_B      D    82_B     0.202     0    0.042   0.133     0.369  100.000  100.000
LGA    S    83_B      S    83_B     0.254     0    0.026   0.655     1.910  100.000   95.476
LGA    I    84_B      I    84_B     0.325     0    0.052   0.073     0.512  100.000   98.810
LGA    H    85_B      H    85_B     0.262     0    0.039   0.145     0.327  100.000  100.000
LGA    R    86_B      R    86_B     0.159     0    0.026   0.160     0.364  100.000  100.000
LGA    I    87_B      I    87_B     0.134     0    0.064   0.113     0.402  100.000  100.000
LGA    T    88_B      T    88_B     0.120     0    0.023   0.089     0.550  100.000   98.639
LGA    L    89_B      L    89_B     0.096     0    0.036   0.098     0.404  100.000  100.000
LGA    E    90_B      E    90_B     0.162     0    0.019   0.431     1.120  100.000   94.762
LGA    S    91_B      S    91_B     0.176     0    0.104   0.144     0.453  100.000  100.000
LGA    T    92_B      T    92_B     0.224     0    0.054   0.163     0.410  100.000  100.000
LGA    R    93_B      R    93_B     0.322     0    0.020   0.326     1.141  100.000   95.714
LGA    S    94_B      S    94_B     0.265     0    0.035   0.077     0.384  100.000  100.000
LGA    M    95_B      M    95_B     0.527     0    0.023   0.090     0.540   92.857   96.429
LGA    P    96_B      P    96_B     0.500     0    0.070   0.362     1.236   90.476   89.184
LGA    P    97_B      P    97_B     0.937     0    0.042   0.060     1.432   85.952   84.014
LGA    R    98_B      R    98_B     1.354     0    0.010   1.107     6.488   83.690   57.662
LGA    A    99_B      A    99_B     0.973     0    0.014   0.015     1.182   88.214   86.857
LGA    A   100_B      A   100_B     0.327     0    0.026   0.024     0.517   97.619   98.095
LGA    L   101_B      L   101_B     0.455     0    0.045   0.131     0.811  100.000   96.429
LGA    D   102_B      D   102_B     0.603     0    0.035   0.218     1.444   90.476   89.345
LGA    D   103_B      D   103_B     0.513     0    0.060   0.783     2.473   92.857   83.036
LGA    A   104_B      A   104_B     0.174     0    0.077   0.075     0.500  100.000  100.000
LGA    L   105_B      L   105_B     0.377     0    0.013   0.152     0.604  100.000   97.619
LGA    R   106_B      R   106_B     0.341     0    0.047   0.373     1.115  100.000   94.848
LGA    L   107_B      L   107_B     0.384     0    0.064   0.079     0.454  100.000  100.000
LGA    G   108_B      G   108_B     0.367     0    0.059   0.059     0.367  100.000  100.000
LGA    R   109_B      R   109_B     0.278     0    0.066   0.977     2.789  100.000   93.550
LGA    E   110_B      E   110_B     0.314     0    0.035   0.086     0.468  100.000  100.000
LGA    F   111_B      F   111_B     0.378     0    0.039   0.062     0.538  100.000   97.403
LGA    V   112_B      V   112_B     0.350     0    0.049   0.126     0.693  100.000   97.279
LGA    E   113_B      E   113_B     0.360     0    0.039   0.684     3.379  100.000   82.646
LGA    S   114_B      S   114_B     0.309     0    0.063   0.633     1.819  100.000   93.889
LGA    R   115_B      R   115_B     0.320     0    0.049   0.543     1.777  100.000   90.823
LGA    Q   116_B      Q   116_B     0.148     0    0.047   0.900     2.012  100.000   93.069
LGA    P   117_B      P   117_B     0.375     0    0.072   0.129     0.577   97.619   98.639
LGA    V   118_B      V   118_B     0.539     0    0.049   0.068     0.871   95.238   93.197
LGA    F   119_B      F   119_B     0.371     0    0.017   0.120     0.458  100.000  100.000
LGA    E   120_B      E   120_B     0.279     0    0.058   1.217     3.954  100.000   79.206
LGA    S   121_B      S   121_B     0.362     0    0.089   0.685     2.134   92.976   89.444
LGA    F   122_B      F   122_B     0.612     0    0.037   0.096     0.822   90.476   92.208
LGA    R   123_B      R   123_B     0.579     0    0.058   1.244     5.346   90.476   75.065
LGA    D   124_B      D   124_B     0.661     0    0.060   1.079     4.893   90.476   72.143
LGA    R   125_B      R   125_B     0.694     0    0.022   1.121     7.394   90.476   64.113
LGA    T   126_B      T   126_B     0.795     0    0.025   0.063     0.833   90.476   90.476
LGA    K   127_B      K   127_B     0.988     0    0.021   0.237     2.589   88.214   77.989
LGA    F   128_B      F   128_B     0.414     0    0.021   0.110     0.710   95.238   96.537
LGA    T   129_B      T   129_B     0.428     0    0.018   0.939     2.421   97.619   88.571
LGA    F   130_B      F   130_B     0.418     0    0.049   0.119     0.658   97.619   98.268
LGA    V   131_B      V   131_B     0.347     0    0.094   0.931     2.625   97.619   87.483
LGA    T   132_B      T   132_B     0.415     0    0.032   0.112     0.683  100.000   98.639
LGA    C   133_B      C   133_B     0.472     0    0.073   0.111     0.474  100.000  100.000
LGA    S   134_B      S   134_B     0.231     0    0.024   0.176     0.510  100.000   98.413
LGA    E   135_B      E   135_B     0.278     0    0.018   0.589     1.599  100.000   88.783
LGA    V   136_B      V   136_B     0.179     0    0.005   0.054     0.469  100.000  100.000
LGA    Q   137_B      Q   137_B     0.123     0    0.021   0.078     0.391  100.000  100.000
LGA    S   138_B      S   138_B     0.452     0    0.024   0.044     0.716   95.238   96.825
LGA    W   139_B      W   139_B     0.708     0    0.016   0.062     1.192   90.476   88.537
LGA    G   140_B      G   140_B     1.277     0    0.067   0.067     1.485   81.429   81.429
LGA    L   141_B      L   141_B     0.498     0    0.093   0.575     2.303   92.857   85.119
LGA    Y   142_B      Y   142_B     0.732     0    0.036   0.069     0.868   90.476   90.476
LGA    G   143_B      G   143_B     0.640     0    0.027   0.027     0.737   92.857   92.857
LGA    D   144_B      D   144_B     0.619     0    0.005   0.102     1.443   95.238   89.464
LGA    Y   145_B      Y   145_B     0.414     0    0.023   0.451     1.368  100.000   94.524
LGA    H   146_B      H   146_B     0.546     0    0.016   0.134     1.156   92.857   90.571
LGA    E   147_B      E   147_B     0.569     0    0.030   0.882     4.338   90.476   76.349
LGA    R   148_B      R   148_B     0.565     0    0.020   1.136     5.277   90.476   78.009
LGA    L   149_B      L   149_B     0.537     0    0.015   0.088     0.661   90.476   91.667
LGA    R   150_B      R   150_B     1.063     0    0.075   1.401     4.838   83.690   73.983
LGA    Q   151_B      Q   151_B     1.293     0    0.072   0.156     1.873   83.690   78.624
LGA    H   152_B      H   152_B     0.807     0    0.079   1.117     3.122   90.476   81.333
LGA    Y   153_B      Y   153_B     0.807     0    0.019   0.141     1.631   88.214   84.484
LGA    D   154_B      D   154_B     1.232     0    0.093   0.136     1.545   79.286   80.357
LGA    Q   155_B      Q   155_B     1.434     0    0.062   0.133     1.434   81.429   81.429
LGA    D   156_B      D   156_B     1.298     0    0.043   0.251     1.708   83.690   82.619
LGA    A   157_B      A   157_B     1.390     0    0.095   0.093     1.640   81.429   79.714
LGA    A   158_B      A   158_B     1.149     0    0.039   0.043     1.244   85.952   85.048
LGA    F   159_B      F   159_B     0.605     0    0.031   0.061     0.845   90.476   95.671
LGA    R   160_B      R   160_B     0.894     0    0.020   0.206     2.020   88.214   80.823
LGA    G   161_B      G   161_B     1.018     0    0.009   0.009     1.018   85.952   85.952
LGA    S   162_B      S   162_B     0.555     0    0.042   0.634     2.420   90.476   87.778
LGA    V   163_B      V   163_B     0.695     0    0.071   0.097     1.060   88.214   90.544
LGA    E   164_B      E   164_B     1.215     0    0.137   0.296     2.240   85.952   79.683
LGA    A   165_B      A   165_B     1.455     0    0.066   0.064     2.101   79.286   76.381
LGA    F   166_B      F   166_B     1.968     0    0.027   0.202     3.911   72.857   58.442
LGA    G   167_B      G   167_B     1.367     0    0.069   0.069     1.551   79.286   79.286
LGA    R   168_B      R   168_B     0.624     0    0.021   0.926     2.564   83.810   81.126
LGA    D   169_B      D   169_B     1.953     0    0.146   0.850     5.692   65.357   52.738
LGA    Y   170_B      Y   170_B     2.732     0    0.038   0.140     4.277   57.262   49.722
LGA    H   171_B      H   171_B     2.521     0    0.035   0.082     3.262   57.262   65.048
LGA    G   172_B      G   172_B     2.653     0    0.051   0.051     3.025   55.357   55.357
LGA    K   173_B      K   173_B     2.942     4    0.033   0.036     3.231   53.571   30.159
LGA    R   174_B      R   174_B     3.094     0    0.245   1.175     5.921   53.571   46.320
LGA    S   175_B      S   175_B     3.096     0    0.022   0.165     3.330   50.000   51.190
LGA    E   176_B      E   176_B     3.735     4    0.063   0.073     3.992   43.333   24.074
LGA    G   177_B      G   177_B     3.923     0    0.037   0.037     3.923   43.333   43.333
LGA    V   178_B      V   178_B     2.930     0    0.064   0.108     3.290   55.357   57.211
LGA    S   179_B      S   179_B     2.840     0    0.027   0.589     4.446   60.952   55.159
LGA    A   180_B      A   180_B     2.019     0    0.037   0.041     2.340   66.786   66.381
LGA    Q   181_B      Q   181_B     2.586     0    0.036   0.969     6.322   62.857   45.344
LGA    E   182_B      E   182_B     2.494     0    0.038   0.546     4.706   64.881   51.746
LGA    L   183_B      L   183_B     1.354     0    0.043   0.213     1.859   83.810   83.810
LGA    D   184_B      D   184_B     0.866     0    0.052   0.067     1.914   90.476   86.012
LGA    H   185_B      H   185_B     1.305     0    0.035   1.134     4.146   83.690   73.143
LGA    R   186_B      R   186_B     1.230     0    0.040   0.950     5.794   83.690   66.494
LGA    I   187_B      I   187_B     0.693     0    0.009   0.120     0.838   90.476   90.476
LGA    R   188_B      R   188_B     0.575     0    0.057   0.101     1.862   97.619   84.242
LGA    K   189_B      K   189_B     0.737     0    0.018   0.995     2.011   92.857   83.704
LGA    S   190_B      S   190_B     1.543     0    0.044   0.042     2.245   75.000   72.937
LGA    S   191_B      S   191_B     1.602     0    0.084   0.091     1.746   77.143   75.714
LGA    E   192_B      E   192_B     0.928     0    0.091   0.283     1.601   88.214   85.503
LGA    Y   193_B      Y   193_B     0.831     0    0.022   0.108     1.087   90.476   88.968
LGA    F   194_B      F   194_B     0.827     0    0.019   0.165     1.207   90.476   85.541
LGA    L   195_B      L   195_B     0.748     0    0.019   0.058     0.846   90.476   90.476
LGA    E   196_B      E   196_B     0.629     0    0.036   0.148     0.747   90.476   91.534
LGA    E   197_B      E   197_B     0.570     0    0.033   0.188     0.858   90.476   90.476
LGA    F   198_B      F   198_B     0.748     0    0.039   0.107     1.120   90.476   88.009
LGA    A   199_B      A   199_B     0.726     0    0.020   0.025     0.800   90.476   90.476
LGA    I   200_B      I   200_B     0.453     0    0.025   0.068     0.616   92.857   96.429
LGA    F   201_B      F   201_B     0.679     0    0.041   0.071     0.799   90.476   90.476
LGA    A   202_B      A   202_B     0.854     0    0.044   0.062     0.979   90.476   90.476
LGA    C   203_B      C   203_B     0.533     0    0.021   0.052     0.621   95.238   96.825
LGA    L   204_B      L   204_B     0.516     0    0.042   0.198     0.671   90.476   92.857
LGA    Q   205_B      Q   205_B     0.682     0    0.058   0.259     1.168   88.214   88.466
LGA    R   206_B      R   206_B     0.887     0    0.133   0.917     5.455   92.857   66.364
LGA    T   207_B      T   207_B     0.322     0    0.119   0.142     1.081   95.238   93.265
LGA    G   208_B      G   208_B     1.113     0    0.126   0.126     1.113   88.214   88.214
LGA    S   209_B      S   209_B     0.723     0    0.027   0.094     1.168   90.476   88.968
LGA    P   210_B      P   210_B     0.505     0    0.036   0.172     0.925   90.476   91.837
LGA    V   211_B      V   211_B     0.572     0    0.058   0.058     0.735   90.476   90.476
LGA    M   212_B      M   212_B     0.776     0    0.052   0.248     0.962   90.476   90.476
LGA    V   213_B      V   213_B     0.535     0    0.057   0.092     0.664   90.476   93.197
LGA    Y   214_B      Y   214_B     0.558     0    0.027   0.112     0.801   90.476   90.476
LGA    P   215_B      P   215_B     0.604     0    0.238   0.261     0.972   90.476   90.476
LGA    G   216_B      G   216_B     1.627     0    0.057   0.057     1.734   75.000   75.000
LGA    S   217_B      S   217_B     2.165     0    0.113   0.196     2.991   72.976   67.698
LGA    F   218_B      F   218_B     1.464     0    0.033   0.896     3.287   79.286   72.727
LGA    S   219_B      S   219_B     1.140     0    0.124   0.525     1.559   81.429   80.000
LGA    T   220_B      T   220_B     1.211     0    0.056   0.156     1.554   81.429   78.980
LGA    L   221_B      L   221_B     1.504     0    0.081   1.421     3.124   75.000   71.131
LGA    S   222_B      S   222_B     1.379     0    0.076   0.110     1.408   81.429   81.429
LGA    E   223_B      E   223_B     1.140     0    0.035   0.148     1.269   81.429   86.508
LGA    I   224_B      I   224_B     1.533     0    0.063   0.099     1.940   75.000   75.000
LGA    A   225_B      A   225_B     2.153     0    0.038   0.034     2.475   66.786   66.381
LGA    Q   226_B      Q   226_B     2.161     0    0.032   0.339     2.706   64.762   65.714
LGA    G   227_B      G   227_B     1.966     0    0.016   0.016     1.966   72.857   72.857
LGA    K   228_B      K   228_B     1.415     0    0.102   0.537     2.115   79.286   75.767
LGA    H   229_B      H   229_B     1.085     0    0.051   0.146     1.172   81.429   84.143
LGA    P   230_B      P   230_B     1.179     0    0.022   0.082     1.377   81.429   81.429
LGA    G   231_B      G   231_B     1.390     0    0.021   0.021     1.390   81.429   81.429
LGA    A   232_B      A   232_B     1.426     0    0.023   0.027     1.492   81.429   81.429
LGA    P   233_B      P   233_B     1.435     0    0.018   0.067     1.435   81.429   81.429
LGA    E   234_B      E   234_B     1.504     0    0.089   0.553     3.446   79.405   67.196
LGA    E   235_B      E   235_B     1.317     0    0.052   0.110     2.003   81.429   76.720
LGA    L   236_B      L   236_B     0.767     0    0.019   0.067     1.020   88.214   89.345
LGA    R   237_B      R   237_B     0.638     0    0.019   1.021     3.755   95.238   76.234
LGA    D   238_B      D   238_B     0.191     0    0.029   0.169     0.629  100.000   98.810
LGA    L   239_B      L   239_B     0.167     0    0.088   0.090     0.560   97.619   97.619
LGA    I   240_B      I   240_B     0.158     0    0.056   0.071     0.532  100.000   97.619
LGA    V   241_B      V   241_B     0.616     0    0.026   0.038     1.211   95.238   90.612
LGA    V   242_B      V   242_B     0.622     0    0.046   0.064     0.703   90.476   90.476
LGA    S   243_B      S   243_B     0.561     0    0.032   0.158     0.825   92.857   92.063
LGA    L   244_B      L   244_B     0.885     0    0.057   0.069     0.896   90.476   90.476
LGA    H   245_B      H   245_B     0.792     0    0.000   0.960     4.358   90.476   70.667
LGA    L   246_B      L   246_B     0.811     0    0.133   0.182     1.185   88.214   87.083
LGA    K   247_B      K   247_B     0.709     0    0.118   0.242     1.354   90.476   89.471
LGA    G   248_B      G   248_B     1.348     0    0.589   0.589     2.859   75.357   75.357

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      226     904    904  100.00    1803   1803  100.00               226
SUMMARY(RMSD_GDC):     1.071          1.074                  1.393           89.214   86.020

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    226    1.07    93.252    97.091    19.298

LGA_LOCAL      RMSD:   1.071  Number of atoms:  226  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.071  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   1.071  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.694993 * X  +   0.385669 * Y  +   0.606832 * Z  +  39.086910
  Y_new =   0.691986 * X  +  -0.588004 * Y  +  -0.418816 * Z  +  47.988815
  Z_new =   0.195295 * X  +   0.710993 * Y  +  -0.675536 * Z  + -54.299706 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.783230 -0.196558  2.330627   [DEG:   44.8758  -11.2620  133.5351 ]
ZXZ:  0.966699  2.312487  0.268068   [DEG:   55.3878  132.4958   15.3592 ]
 
# END of job
