
#######################################################
#                                                     #
#                        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  139 ( 1107),  selected  118 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  118 , 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:   118      21_B - 138_B       0.99     0.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.99     0.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.99     0.99
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
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     M    21_B     M    21_B    118  118  118      3    4    5    8   20   71   87  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B    118  118  118      3    4   32   76  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B    118  118  118      3    3    4   42   52   71  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    118  118  118     18  109  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B    118  118  118     26  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B    118  118  118     26  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B    118  118  118     24  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B    118  118  118     17  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B    118  118  118     17  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B    118  118  118     36  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    118  118  118     44  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    118  118  118     85  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    118  118  118     76  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    118  118  118     58  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    118  118  118     58  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    118  118  118     64  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    118  118  118     37  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    118  118  118     23  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    118  118  118     58  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    118  118  118     74  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    118  118  118     90  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B    118  118  118     59  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B    118  118  118     59  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B    118  118  118     11  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B    118  118  118     56  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B    118  118  118     56  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B    118  118  118     56  112  115  115  116  116  116  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     90    112    115    115    116    116    116    117    118    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  76.27  94.92  97.46  97.46  98.31  98.31  98.31  99.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.46   0.49   0.49   0.58   0.58   0.58   0.77   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99
GDT RMS_ALL_AT   1.04   1.01   1.02   1.02   1.01   1.01   1.01   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99   0.99

# Checking swapping
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  D    66_B      D    66_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    85_B      Y    85_B
#   possible swapping detected:  E    87_B      E    87_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  E   126_B      E   126_B
#   possible swapping detected:  E   127_B      E   127_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     6.890     0    0.371   0.904    13.172   14.167    7.262
LGA    A    22_B      A    22_B     3.289     0    0.564   0.540     4.486   45.119   49.048
LGA    S    23_B      S    23_B     5.352     0    0.084   0.755     9.359   34.881   24.683
LGA    M    24_B      M    24_B     1.256     0    0.650   1.016     8.952   83.690   52.143
LGA    Y    25_B      Y    25_B     0.866     0    0.132   0.135     1.685   88.214   81.548
LGA    A    26_B      A    26_B     0.893     0    0.022   0.044     1.077   85.952   86.857
LGA    K    27_B      K    27_B     1.069     0    0.056   0.625     3.321   83.690   75.450
LGA    H    28_B      H    28_B     1.087     0    0.063   0.192     1.379   83.690   82.333
LGA    S    29_B      S    29_B     1.033     0    0.080   0.159     1.140   81.429   84.444
LGA    A    30_B      A    30_B     1.089     0    0.015   0.031     1.224   81.429   81.429
LGA    Q    31_B      Q    31_B     1.149     0    0.042   0.999     2.173   85.952   79.947
LGA    N    32_B      N    32_B     0.610     0    0.080   0.517     1.629   90.476   88.274
LGA    Y    33_B      Y    33_B     0.570     0    0.053   0.125     1.005   88.214   92.103
LGA    Q    34_B      Q    34_B     0.550     0    0.017   1.040     2.280   90.476   85.820
LGA    P    35_B      P    35_B     0.454     0    0.054   0.207     0.531   97.619   98.639
LGA    L    36_B      L    36_B     0.518     0    0.011   0.237     0.642   90.476   94.048
LGA    L    37_B      L    37_B     0.532     0    0.019   0.078     0.720   95.238   92.857
LGA    P    38_B      P    38_B     0.525     0    0.012   0.043     0.797   95.238   93.197
LGA    G    39_B      G    39_B     0.323     0    0.053   0.053     0.383  100.000  100.000
LGA    I    40_B      I    40_B     0.341     0    0.021   0.620     1.709  100.000   95.417
LGA    K    41_B      K    41_B     0.158     0    0.009   0.847     2.405  100.000   92.169
LGA    I    42_B      I    42_B     0.265     0    0.005   0.105     0.442  100.000  100.000
LGA    K    43_B      K    43_B     0.424     0    0.043   0.562     2.147  100.000   90.952
LGA    T    44_B      T    44_B     0.264     0    0.019   0.093     0.437  100.000  100.000
LGA    L    45_B      L    45_B     0.372     0    0.072   0.074     0.793   97.619   97.619
LGA    V    46_B      V    46_B     0.240     0    0.071   1.208     2.815  100.000   88.844
LGA    Y    47_B      Y    47_B     0.227     0    0.076   0.207     0.956  100.000   97.619
LGA    G    48_B      G    48_B     0.173     0    0.038   0.038     0.415  100.000  100.000
LGA    E    49_B      E    49_B     0.348     0    0.068   0.720     2.701   97.619   80.741
LGA    L    50_B      L    50_B     0.189     0    0.024   0.126     0.448  100.000  100.000
LGA    T    51_B      T    51_B     0.148     0    0.104   0.155     0.735   97.619   98.639
LGA    L    52_B      L    52_B     0.181     0    0.024   0.106     0.551  100.000   98.810
LGA    M    53_B      M    53_B     0.251     0    0.008   0.092     0.538  100.000   97.619
LGA    T    54_B      T    54_B     0.314     0    0.077   0.124     0.456  100.000  100.000
LGA    E    55_B      E    55_B     0.209     0    0.044   0.388     1.493  100.000   95.820
LGA    F    56_B      F    56_B     0.407     0    0.063   0.250     0.802   97.619   95.671
LGA    V    57_B      V    57_B     0.305     0    0.033   0.083     0.483  100.000  100.000
LGA    M    58_B      M    58_B     0.218     0    0.076   0.215     0.444  100.000  100.000
LGA    D    59_B      D    59_B     0.279     0    0.036   0.578     1.632  100.000   92.024
LGA    K    60_B      K    60_B     0.349     0    0.029   0.063     1.277  100.000   93.757
LGA    G    61_B      G    61_B     0.543     0    0.055   0.055     0.663   92.857   92.857
LGA    S    62_B      S    62_B     0.487     0    0.058   0.092     0.531   97.619   96.825
LGA    S    63_B      S    63_B     0.430     0    0.015   0.020     0.613  100.000   96.825
LGA    L    64_B      L    64_B     0.466     0    0.020   0.721     3.146  100.000   88.036
LGA    P    65_B      P    65_B     0.266     0    0.029   0.342     1.551  100.000   94.762
LGA    D    66_B      D    66_B     0.285     0    0.027   0.639     1.902  100.000   94.226
LGA    H    67_B      H    67_B     0.545     0    0.068   0.125     0.844   92.857   92.381
LGA    T    68_B      T    68_B     0.390     0    0.068   1.095     2.745  100.000   88.844
LGA    H    69_B      H    69_B     0.682     0    0.053   0.138     0.837   90.476   90.476
LGA    P    70_B      P    70_B     0.644     0    0.222   0.216     1.686   86.071   87.959
LGA    Y    71_B      Y    71_B     0.372     0    0.062   0.159     0.941   95.238   95.238
LGA    E    72_B      E    72_B     0.382     0    0.023   0.172     0.995  100.000   96.825
LGA    Q    73_B      Q    73_B     0.281     0    0.025   0.118     0.364  100.000  100.000
LGA    T    74_B      T    74_B     0.296     0    0.013   1.159     2.360  100.000   88.571
LGA    G    75_B      G    75_B     0.420     0    0.042   0.042     0.446  100.000  100.000
LGA    Y    76_B      Y    76_B     0.326     0    0.020   0.115     0.932  100.000   96.032
LGA    L    77_B      L    77_B     0.372     0    0.017   0.197     0.804  100.000   97.619
LGA    V    78_B      V    78_B     0.382     0    0.006   0.036     0.411  100.000  100.000
LGA    S    79_B      S    79_B     0.391     0    0.044   0.065     0.413  100.000  100.000
LGA    G    80_B      G    80_B     0.376     0    0.012   0.012     0.382  100.000  100.000
LGA    K    81_B      K    81_B     0.333     0    0.020   0.575     2.046  100.000   92.011
LGA    I    82_B      I    82_B     0.362     0    0.039   0.062     0.408  100.000  100.000
LGA    I    83_B      I    83_B     0.373     0    0.062   0.073     0.732  100.000   95.238
LGA    L    84_B      L    84_B     0.391     0    0.052   0.121     0.580  100.000   98.810
LGA    Y    85_B      Y    85_B     0.484     0    0.014   0.076     0.661  100.000   96.032
LGA    I    86_B      I    86_B     0.507     0    0.023   0.073     0.591   92.857   95.238
LGA    E    87_B      E    87_B     0.344     0    0.045   1.158     5.473   97.619   76.402
LGA    D    88_B      D    88_B     0.414     0    0.047   0.206     1.448   97.619   94.107
LGA    K    89_B      K    89_B     0.353     0    0.105   0.568     2.552   97.619   88.148
LGA    K    90_B      K    90_B     0.365     0    0.055   0.337     1.580   95.238   93.810
LGA    Q    91_B      Q    91_B     0.316     0    0.018   0.581     2.199  100.000   86.138
LGA    Q    92_B      Q    92_B     0.304     0    0.029   0.309     1.218  100.000   97.937
LGA    I    93_B      I    93_B     0.306     0    0.012   0.215     0.900  100.000   98.810
LGA    M    94_B      M    94_B     0.591     0    0.058   0.533     2.481   97.619   86.429
LGA    A    95_B      A    95_B     0.684     0    0.017   0.021     0.929   90.476   90.476
LGA    G    96_B      G    96_B     0.708     0    0.045   0.045     0.708   90.476   90.476
LGA    D    97_B      D    97_B     0.444     0    0.027   0.162     0.786   97.619   95.238
LGA    S    98_B      S    98_B     0.387     0    0.065   0.099     0.628   97.619   96.825
LGA    W    99_B      W    99_B     0.392     0    0.053   0.147     0.643  100.000   98.639
LGA    C   100_B      C   100_B     0.472     0    0.055   0.074     0.868   95.238   93.651
LGA    I   101_B      I   101_B     0.264     0    0.005   0.118     0.485  100.000  100.000
LGA    P   102_B      P   102_B     0.731     0    0.034   0.047     0.859   90.476   90.476
LGA    K   103_B      K   103_B     1.023     0    0.056   1.232     3.900   88.214   77.407
LGA    N   104_B      N   104_B     0.845     0    0.030   0.322     1.105   90.476   89.345
LGA    V   105_B      V   105_B     0.360     0    0.020   0.113     0.641   97.619   97.279
LGA    H   106_B      H   106_B     0.361     0    0.024   0.090     0.719  100.000   97.143
LGA    H   107_B      H   107_B     0.371     0    0.043   0.111     0.428  100.000  100.000
LGA    H   108_B      H   108_B     0.284     0    0.063   1.154     2.528  100.000   89.333
LGA    A   109_B      A   109_B     0.410     0    0.044   0.041     0.453  100.000  100.000
LGA    E   110_B      E   110_B     0.284     0    0.021   0.812     3.409  100.000   85.767
LGA    I   111_B      I   111_B     0.140     0    0.023   0.465     0.934  100.000   96.429
LGA    L   112_B      L   112_B     0.299     0    0.025   0.052     0.566   97.619   96.429
LGA    E   113_B      E   113_B     0.286     0    0.059   1.016     4.177  100.000   82.169
LGA    N   114_B      N   114_B     0.226     0    0.075   0.317     0.913  100.000   97.619
LGA    S   115_B      S   115_B     0.270     0    0.047   0.107     0.464  100.000  100.000
LGA    V   116_B      V   116_B     0.177     0    0.068   0.077     0.388  100.000  100.000
LGA    A   117_B      A   117_B     0.311     0    0.024   0.029     0.416  100.000  100.000
LGA    V   118_B      V   118_B     0.237     0    0.042   0.086     0.406  100.000  100.000
LGA    E   119_B      E   119_B     0.245     0    0.062   0.674     2.442   97.619   91.852
LGA    V   120_B      V   120_B     0.338     0    0.045   0.085     0.524  100.000   98.639
LGA    F   121_B      F   121_B     0.210     0    0.065   0.091     0.448  100.000  100.000
LGA    A   122_B      A   122_B     0.401     0    0.076   0.076     0.534   97.619   98.095
LGA    P   123_B      P   123_B     0.212     0    0.024   0.039     0.379  100.000  100.000
LGA    T   124_B      T   124_B     0.403     0    0.024   0.247     1.091  100.000   95.986
LGA    R   125_B      R   125_B     0.309     0    0.048   0.104     0.412  100.000  100.000
LGA    E   126_B      E   126_B     0.553     0    0.019   0.987     4.185   95.238   77.460
LGA    E   127_B      E   127_B     0.349     0    0.081   0.837     4.854   97.619   75.556
LGA    Y   128_B      Y   128_B     0.318     0    0.077   0.121     0.493  100.000  100.000
LGA    I   129_B      I   129_B     0.554     0    0.021   0.121     0.799   92.857   91.667
LGA    K   130_B      K   130_B     0.693     0    0.028   0.206     2.542   90.476   81.852
LGA    Y   131_B      Y   131_B     0.636     0    0.022   0.122     1.296   90.476   88.254
LGA    L   132_B      L   132_B     0.368     0    0.033   0.127     0.434  100.000  100.000
LGA    D   133_B      D   133_B     0.616     0    0.019   0.130     1.320   92.857   88.274
LGA    R   134_B      R   134_B     0.590     0    0.070   1.049     7.612   90.476   58.571
LGA    T   135_B      T   135_B     0.811     0    0.011   0.074     1.409   90.476   87.891
LGA    T   136_B      T   136_B     0.615     0    0.068   0.140     1.310   90.476   87.891
LGA    V   137_B      V   137_B     0.797     0    0.010   0.100     1.062   90.476   89.184
LGA    V   138_B      V   138_B     0.705     0    0.039   0.192     0.738   90.476   90.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     945    945  100.00               118
SUMMARY(RMSD_GDC):     0.986          0.964                  1.481           94.772   90.921

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    117    0.77    97.881    98.874    13.486

LGA_LOCAL      RMSD:   0.768  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.993  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   0.986  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.733666 * X  +  -0.677556 * Y  +  -0.051503 * Z  + -33.927025
  Y_new =   0.467382 * X  +   0.448163 * Y  +   0.762040 * Z  +  26.415409
  Z_new =  -0.493243 * X  +  -0.583154 * Y  +   0.645479 * Z  +   1.589806 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.567217  0.515814 -0.734715   [DEG:   32.4992   29.5539  -42.0960 ]
ZXZ: -3.074110  0.869146 -2.439531   [DEG: -176.1335   49.7984 -139.7748 ]
 
# END of job
