
#######################################################
#                                                     #
#                        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       0.98     0.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.98     0.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.98     0.98
  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   23   73  112  116  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   44  105  116  116  117  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   40   52   97  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    118  118  118     20  110  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B    118  118  118     46  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B    118  118  118     30  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B    118  118  118     30  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B    118  118  118     27  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B    118  118  118     27  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B    118  118  118     25  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    118  118  118     21  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    118  118  118     60  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    118  118  118     42  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    118  118  118     78  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    118  118  118     58  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    118  118  118     20  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    118  118  118     20  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    118  118  118     27  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    118  118  118     60  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    118  118  118     92  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B    118  118  118     15  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B    118  118  118     15  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B    118  118  118      6  102  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B    118  118  118     40  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B    118  118  118     40  113  115  115  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B    118  118  118     40  113  115  115  116  116  117  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     92    113    115    115    116    116    117    117    118    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  77.97  95.76  97.46  97.46  98.31  98.31  99.15  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    0.33   0.50   0.52   0.52   0.60   0.60   0.77   0.77   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98
GDT RMS_ALL_AT   1.04   1.01   1.01   1.01   1.00   1.00   0.99   0.99   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98

# Checking swapping
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  F    56_B      F    56_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     6.721     0    0.277   0.962    11.858   15.238    8.393
LGA    A    22_B      A    22_B     3.148     0    0.579   0.557     4.352   48.571   53.429
LGA    S    23_B      S    23_B     5.251     0    0.138   0.190     9.982   34.881   24.524
LGA    M    24_B      M    24_B     1.300     0    0.630   1.247     8.438   83.690   54.286
LGA    Y    25_B      Y    25_B     0.717     0    0.111   0.117     1.614   90.476   84.484
LGA    A    26_B      A    26_B     0.872     0    0.017   0.031     0.918   90.476   90.476
LGA    K    27_B      K    27_B     1.022     0    0.051   0.635     3.170   85.952   77.460
LGA    H    28_B      H    28_B     0.987     0    0.047   0.148     1.187   88.214   84.143
LGA    S    29_B      S    29_B     1.020     0    0.090   0.174     1.220   81.429   84.444
LGA    A    30_B      A    30_B     0.946     0    0.034   0.051     1.015   90.476   88.667
LGA    Q    31_B      Q    31_B     1.124     0    0.040   1.219     4.665   85.952   72.381
LGA    N    32_B      N    32_B     0.494     0    0.088   0.498     1.265   95.238   91.726
LGA    Y    33_B      Y    33_B     0.554     0    0.057   0.112     0.985   90.476   90.476
LGA    Q    34_B      Q    34_B     0.556     0    0.016   1.048     2.337   90.476   85.820
LGA    P    35_B      P    35_B     0.516     0    0.060   0.212     0.644   92.857   94.558
LGA    L    36_B      L    36_B     0.520     0    0.012   0.226     0.621   92.857   95.238
LGA    L    37_B      L    37_B     0.448     0    0.019   0.080     0.678  100.000   96.429
LGA    P    38_B      P    38_B     0.444     0    0.009   0.042     0.719   97.619   94.558
LGA    G    39_B      G    39_B     0.277     0    0.045   0.045     0.426  100.000  100.000
LGA    I    40_B      I    40_B     0.287     0    0.022   0.621     1.748  100.000   95.417
LGA    K    41_B      K    41_B     0.147     0    0.016   0.832     2.227  100.000   91.111
LGA    I    42_B      I    42_B     0.290     0    0.018   0.117     0.510   97.619   98.810
LGA    K    43_B      K    43_B     0.518     0    0.042   0.400     1.136   95.238   91.587
LGA    T    44_B      T    44_B     0.261     0    0.010   0.081     0.450  100.000  100.000
LGA    L    45_B      L    45_B     0.391     0    0.031   0.042     0.640   97.619   96.429
LGA    V    46_B      V    46_B     0.170     0    0.050   0.076     0.309  100.000  100.000
LGA    Y    47_B      Y    47_B     0.229     0    0.087   0.214     1.055  100.000   96.865
LGA    G    48_B      G    48_B     0.538     0    0.052   0.052     0.538   97.619   97.619
LGA    E    49_B      E    49_B     0.278     0    0.009   0.325     1.126  100.000   97.937
LGA    L    50_B      L    50_B     0.123     0    0.017   0.133     0.471  100.000  100.000
LGA    T    51_B      T    51_B     0.166     0    0.076   0.126     0.613   97.619   98.639
LGA    L    52_B      L    52_B     0.204     0    0.017   0.056     0.475  100.000  100.000
LGA    M    53_B      M    53_B     0.271     0    0.009   0.111     0.599  100.000   96.429
LGA    T    54_B      T    54_B     0.369     0    0.081   0.178     0.564  100.000   98.639
LGA    E    55_B      E    55_B     0.253     0    0.051   0.144     1.009  100.000   96.878
LGA    F    56_B      F    56_B     0.443     0    0.059   0.255     0.907   97.619   95.671
LGA    V    57_B      V    57_B     0.375     0    0.028   0.088     0.603  100.000   97.279
LGA    M    58_B      M    58_B     0.213     0    0.071   0.225     0.569   97.619   97.619
LGA    D    59_B      D    59_B     0.272     0    0.038   0.549     1.611  100.000   93.095
LGA    K    60_B      K    60_B     0.439     0    0.034   0.072     1.403  100.000   92.698
LGA    G    61_B      G    61_B     0.550     0    0.055   0.055     0.591   95.238   95.238
LGA    S    62_B      S    62_B     0.444     0    0.053   0.093     0.528   97.619   98.413
LGA    S    63_B      S    63_B     0.447     0    0.017   0.038     0.673  100.000   96.825
LGA    L    64_B      L    64_B     0.503     0    0.018   0.748     3.273   95.238   85.655
LGA    P    65_B      P    65_B     0.386     0    0.041   0.050     0.528  100.000   97.279
LGA    D    66_B      D    66_B     0.250     0    0.023   0.567     1.550  100.000   95.417
LGA    H    67_B      H    67_B     0.567     0    0.058   0.121     0.755   92.857   92.381
LGA    T    68_B      T    68_B     0.332     0    0.058   0.091     0.602  100.000   97.279
LGA    H    69_B      H    69_B     0.614     0    0.048   0.163     0.746   92.857   96.190
LGA    P    70_B      P    70_B     0.620     0    0.164   0.151     1.371   88.214   89.184
LGA    Y    71_B      Y    71_B     0.424     0    0.044   0.183     0.998   95.238   92.063
LGA    E    72_B      E    72_B     0.470     0    0.020   0.180     1.050  100.000   95.820
LGA    Q    73_B      Q    73_B     0.434     0    0.021   0.090     0.452  100.000  100.000
LGA    T    74_B      T    74_B     0.397     0    0.034   1.168     2.241   97.619   87.211
LGA    G    75_B      G    75_B     0.462     0    0.048   0.048     0.490  100.000  100.000
LGA    Y    76_B      Y    76_B     0.345     0    0.023   0.166     1.113  100.000   93.730
LGA    L    77_B      L    77_B     0.370     0    0.015   0.184     0.798   97.619   96.429
LGA    V    78_B      V    78_B     0.461     0    0.007   0.028     0.497  100.000  100.000
LGA    S    79_B      S    79_B     0.421     0    0.047   0.063     0.436  100.000  100.000
LGA    G    80_B      G    80_B     0.427     0    0.008   0.008     0.427  100.000  100.000
LGA    K    81_B      K    81_B     0.379     0    0.008   0.418     1.459  100.000   94.815
LGA    I    82_B      I    82_B     0.382     0    0.055   0.064     0.490  100.000  100.000
LGA    I    83_B      I    83_B     0.372     0    0.049   0.618     2.031  100.000   92.024
LGA    L    84_B      L    84_B     0.411     0    0.051   0.136     0.647  100.000   98.810
LGA    Y    85_B      Y    85_B     0.516     0    0.033   0.054     0.652   95.238   92.063
LGA    I    86_B      I    86_B     0.543     0    0.030   0.077     0.598   90.476   92.857
LGA    E    87_B      E    87_B     0.374     0    0.049   0.387     2.922   97.619   83.386
LGA    D    88_B      D    88_B     0.401     0    0.053   0.360     2.493   95.238   85.238
LGA    K    89_B      K    89_B     0.420     0    0.171   0.600     2.513   92.976   85.026
LGA    K    90_B      K    90_B     0.419     0    0.037   0.329     1.537   92.857   92.751
LGA    Q    91_B      Q    91_B     0.439     0    0.014   0.568     2.330  100.000   84.339
LGA    Q    92_B      Q    92_B     0.364     0    0.033   0.153     0.617  100.000   98.942
LGA    I    93_B      I    93_B     0.365     0    0.005   0.211     0.893  100.000   98.810
LGA    M    94_B      M    94_B     0.671     0    0.064   0.534     2.545   95.238   83.274
LGA    A    95_B      A    95_B     0.698     0    0.018   0.022     0.961   90.476   90.476
LGA    G    96_B      G    96_B     0.713     0    0.050   0.050     0.713   90.476   90.476
LGA    D    97_B      D    97_B     0.452     0    0.030   0.138     0.765   97.619   95.238
LGA    S    98_B      S    98_B     0.411     0    0.068   0.101     0.758   97.619   96.825
LGA    W    99_B      W    99_B     0.441     0    0.062   0.150     0.739  100.000   97.279
LGA    C   100_B      C   100_B     0.525     0    0.063   0.081     1.010   90.595   90.556
LGA    I   101_B      I   101_B     0.278     0    0.003   0.082     0.527  100.000   98.810
LGA    P   102_B      P   102_B     0.713     0    0.034   0.036     0.898   92.857   91.837
LGA    K   103_B      K   103_B     0.986     0    0.063   1.423     4.143   90.476   76.772
LGA    N   104_B      N   104_B     0.815     0    0.047   0.299     1.098   90.476   89.345
LGA    V   105_B      V   105_B     0.353     0    0.026   0.074     0.507   97.619   98.639
LGA    H   106_B      H   106_B     0.401     0    0.030   0.088     0.589  100.000   97.143
LGA    H   107_B      H   107_B     0.443     0    0.039   0.078     0.477  100.000  100.000
LGA    H   108_B      H   108_B     0.372     0    0.063   1.155     2.752  100.000   88.524
LGA    A   109_B      A   109_B     0.413     0    0.044   0.041     0.458  100.000  100.000
LGA    E   110_B      E   110_B     0.273     0    0.026   0.877     3.865  100.000   85.026
LGA    I   111_B      I   111_B     0.154     0    0.030   0.114     0.471  100.000  100.000
LGA    L   112_B      L   112_B     0.362     0    0.028   0.066     0.647   97.619   95.238
LGA    E   113_B      E   113_B     0.355     0    0.062   1.018     4.301  100.000   81.323
LGA    N   114_B      N   114_B     0.222     0    0.083   0.333     0.949  100.000   97.619
LGA    S   115_B      S   115_B     0.230     0    0.049   0.110     0.414  100.000  100.000
LGA    V   116_B      V   116_B     0.285     0    0.065   0.073     0.512  100.000   98.639
LGA    A   117_B      A   117_B     0.275     0    0.033   0.039     0.408  100.000  100.000
LGA    V   118_B      V   118_B     0.240     0    0.025   0.074     0.375  100.000  100.000
LGA    E   119_B      E   119_B     0.325     0    0.065   0.702     2.261   97.619   90.847
LGA    V   120_B      V   120_B     0.348     0    0.048   0.080     0.520  100.000   98.639
LGA    F   121_B      F   121_B     0.216     0    0.065   0.094     0.576  100.000   98.268
LGA    A   122_B      A   122_B     0.266     0    0.061   0.062     0.351  100.000  100.000
LGA    P   123_B      P   123_B     0.036     0    0.034   0.047     0.249  100.000  100.000
LGA    T   124_B      T   124_B     0.448     0    0.017   0.178     0.956  100.000   95.918
LGA    R   125_B      R   125_B     0.450     0    0.053   0.148     0.698   97.619   97.403
LGA    E   126_B      E   126_B     0.627     0    0.029   0.961     4.032   90.476   76.984
LGA    E   127_B      E   127_B     0.416     0    0.068   0.922     3.343   97.619   82.540
LGA    Y   128_B      Y   128_B     0.343     0    0.073   0.104     0.497  100.000  100.000
LGA    I   129_B      I   129_B     0.573     0    0.025   0.114     0.771   92.857   91.667
LGA    K   130_B      K   130_B     0.689     0    0.028   0.202     2.588   90.476   80.952
LGA    Y   131_B      Y   131_B     0.640     0    0.029   0.100     1.052   90.476   88.968
LGA    L   132_B      L   132_B     0.348     0    0.028   0.099     0.444  100.000  100.000
LGA    D   133_B      D   133_B     0.808     0    0.021   0.168     1.543   90.476   83.810
LGA    R   134_B      R   134_B     0.858     0    0.051   1.075     9.104   88.214   54.805
LGA    T   135_B      T   135_B     1.235     0    0.014   0.085     1.916   81.429   78.980
LGA    T   136_B      T   136_B     0.817     0    0.051   0.151     1.157   90.476   87.891
LGA    V   137_B      V   137_B     0.870     0    0.018   0.123     1.020   90.476   89.184
LGA    V   138_B      V   138_B     0.925     0    0.024   0.209     1.021   88.214   90.544

# 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):     0.981          0.967                  1.437           94.663   91.041

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    117    0.77    98.093    98.989    13.393

LGA_LOCAL      RMSD:   0.774  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.988  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   0.981  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.165984 * X  +   0.364278 * Y  +  -0.916379 * Z  + -34.594616
  Y_new =  -0.359284 * X  +  -0.843058 * Y  +  -0.400209 * Z  +  26.963957
  Z_new =  -0.918348 * X  +   0.395669 * Y  +  -0.009055 * Z  +   2.891568 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.138020  1.163887  1.593677   [DEG:  -65.2037   66.6858   91.3110 ]
ZXZ: -1.159033  1.579851 -1.163982   [DEG:  -66.4077   90.5188  -66.6913 ]
 
# END of job
