
#######################################################
#                                                     #
#                        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       0.94     0.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.94     0.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.94     0.94
  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    3   34   63  101  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B    118  118  118      3    3    4    6   68  103  117  118  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    4   67   96  104  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    118  118  118      3  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B    118  118  118     54  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B    118  118  118     54  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B    118  118  118     46  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B    118  118  118     46  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B    118  118  118     61  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B    118  118  118     61  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    118  118  118     46  113  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    118  118  118     83  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    118  118  118     84  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    118  118  118     54  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    118  118  118     89  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    118  118  118     61  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    118  118  118     61  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    118  118  118     55  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    118  118  118     32  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    118  118  118     54  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    118  118  118     73  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B    118  118  118     91  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B    118  118  118     54  114  115  115  115  116  117  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B    118  118  118     91  114  115  115  115  116  117  118  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     91    114    115    115    115    116    117    118    118    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  77.12  96.61  97.46  97.46  97.46  98.31  99.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.43   0.44   0.44   0.44   0.60   0.79   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94
GDT RMS_ALL_AT   0.97   0.98   0.98   0.98   0.98   0.96   0.95   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94

# 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     3.958     0    0.688   0.972     7.158   40.714   32.857
LGA    A    22_B      A    22_B     5.375     0    0.434   0.418     6.843   28.929   25.810
LGA    S    23_B      S    23_B     5.565     0    0.424   0.700     9.714   32.500   22.540
LGA    M    24_B      M    24_B     1.305     0    0.667   0.916     8.606   83.690   51.488
LGA    Y    25_B      Y    25_B     0.756     0    0.133   0.132     1.816   90.476   81.587
LGA    A    26_B      A    26_B     0.739     0    0.026   0.049     0.942   90.476   90.476
LGA    K    27_B      K    27_B     0.933     0    0.068   0.635     3.014   90.476   81.481
LGA    H    28_B      H    28_B     1.056     0    0.061   0.181     1.215   81.429   81.429
LGA    S    29_B      S    29_B     1.078     0    0.060   0.159     1.113   81.429   82.937
LGA    A    30_B      A    30_B     1.151     0    0.018   0.032     1.261   81.429   81.429
LGA    Q    31_B      Q    31_B     1.321     0    0.031   0.997     2.383   85.952   78.995
LGA    N    32_B      N    32_B     0.721     0    0.062   0.512     1.789   90.476   88.274
LGA    Y    33_B      Y    33_B     0.640     0    0.062   0.140     1.170   88.214   91.310
LGA    Q    34_B      Q    34_B     0.588     0    0.023   1.034     2.346   90.476   84.762
LGA    P    35_B      P    35_B     0.452     0    0.054   0.199     0.485  100.000  100.000
LGA    L    36_B      L    36_B     0.637     0    0.013   0.223     0.790   90.476   92.857
LGA    L    37_B      L    37_B     0.635     0    0.022   0.089     0.737   92.857   91.667
LGA    P    38_B      P    38_B     0.640     0    0.010   0.041     0.938   90.476   90.476
LGA    G    39_B      G    39_B     0.337     0    0.052   0.052     0.404  100.000  100.000
LGA    I    40_B      I    40_B     0.313     0    0.025   0.622     1.786  100.000   95.417
LGA    K    41_B      K    41_B     0.241     0    0.010   0.812     2.137  100.000   92.169
LGA    I    42_B      I    42_B     0.338     0    0.006   0.103     0.513  100.000   98.810
LGA    K    43_B      K    43_B     0.447     0    0.036   0.421     1.266  100.000   93.757
LGA    T    44_B      T    44_B     0.292     0    0.019   0.107     0.333  100.000  100.000
LGA    L    45_B      L    45_B     0.356     0    0.043   0.052     0.651   97.619   98.810
LGA    V    46_B      V    46_B     0.207     0    0.054   0.078     0.382  100.000  100.000
LGA    Y    47_B      Y    47_B     0.192     0    0.044   0.146     1.088  100.000   95.278
LGA    G    48_B      G    48_B     0.327     0    0.043   0.043     0.492  100.000  100.000
LGA    E    49_B      E    49_B     0.255     0    0.066   0.714     2.722  100.000   81.799
LGA    L    50_B      L    50_B     0.266     0    0.015   0.117     0.339  100.000  100.000
LGA    T    51_B      T    51_B     0.273     0    0.099   0.151     0.792   97.619   97.279
LGA    L    52_B      L    52_B     0.254     0    0.033   0.090     0.560   97.619   97.619
LGA    M    53_B      M    53_B     0.329     0    0.010   0.104     0.649  100.000   96.429
LGA    T    54_B      T    54_B     0.403     0    0.079   0.172     0.543  100.000   97.279
LGA    E    55_B      E    55_B     0.229     0    0.046   0.333     1.391  100.000   96.878
LGA    F    56_B      F    56_B     0.381     0    0.055   0.244     0.883   97.619   94.805
LGA    V    57_B      V    57_B     0.231     0    0.026   0.074     0.372  100.000  100.000
LGA    M    58_B      M    58_B     0.151     0    0.079   0.204     0.422  100.000  100.000
LGA    D    59_B      D    59_B     0.306     0    0.035   0.577     1.736  100.000   93.095
LGA    K    60_B      K    60_B     0.251     0    0.033   0.066     1.075  100.000   94.762
LGA    G    61_B      G    61_B     0.556     0    0.058   0.058     0.813   92.857   92.857
LGA    S    62_B      S    62_B     0.597     0    0.059   0.091     0.604   90.476   90.476
LGA    S    63_B      S    63_B     0.489     0    0.019   0.021     0.645   95.238   93.651
LGA    L    64_B      L    64_B     0.523     0    0.021   0.727     3.181   92.857   84.464
LGA    P    65_B      P    65_B     0.323     0    0.033   0.349     1.614  100.000   94.762
LGA    D    66_B      D    66_B     0.248     0    0.028   0.628     1.832  100.000   95.417
LGA    H    67_B      H    67_B     0.497     0    0.065   0.128     0.808   95.238   93.333
LGA    T    68_B      T    68_B     0.373     0    0.064   1.077     2.683  100.000   88.844
LGA    H    69_B      H    69_B     0.698     0    0.057   0.139     0.879   90.476   90.476
LGA    P    70_B      P    70_B     0.670     0    0.216   0.208     1.711   86.071   87.959
LGA    Y    71_B      Y    71_B     0.434     0    0.059   0.180     0.978   95.238   93.651
LGA    E    72_B      E    72_B     0.435     0    0.023   0.197     1.008  100.000   95.820
LGA    Q    73_B      Q    73_B     0.346     0    0.037   0.105     0.456  100.000  100.000
LGA    T    74_B      T    74_B     0.337     0    0.020   1.151     2.246  100.000   88.571
LGA    G    75_B      G    75_B     0.441     0    0.045   0.045     0.521   97.619   97.619
LGA    Y    76_B      Y    76_B     0.369     0    0.020   0.116     1.025  100.000   94.484
LGA    L    77_B      L    77_B     0.373     0    0.019   0.151     0.762   97.619   97.619
LGA    V    78_B      V    78_B     0.351     0    0.006   0.037     0.387  100.000  100.000
LGA    S    79_B      S    79_B     0.394     0    0.047   0.066     0.434  100.000  100.000
LGA    G    80_B      G    80_B     0.322     0    0.010   0.010     0.322  100.000  100.000
LGA    K    81_B      K    81_B     0.283     0    0.008   0.414     1.445  100.000   94.815
LGA    I    82_B      I    82_B     0.293     0    0.031   0.067     0.329  100.000  100.000
LGA    I    83_B      I    83_B     0.339     0    0.065   0.075     0.668  100.000   96.429
LGA    L    84_B      L    84_B     0.399     0    0.048   0.140     0.629  100.000   98.810
LGA    Y    85_B      Y    85_B     0.426     0    0.027   0.087     0.616  100.000   98.413
LGA    I    86_B      I    86_B     0.405     0    0.028   0.069     0.475  100.000  100.000
LGA    E    87_B      E    87_B     0.280     0    0.058   0.457     2.733  100.000   84.444
LGA    D    88_B      D    88_B     0.398     0    0.041   0.189     1.344   97.619   94.107
LGA    K    89_B      K    89_B     0.301     0    0.088   0.545     2.257   97.619   90.053
LGA    K    90_B      K    90_B     0.355     0    0.053   0.324     1.684   97.619   94.868
LGA    Q    91_B      Q    91_B     0.309     0    0.013   0.578     2.214  100.000   86.138
LGA    Q    92_B      Q    92_B     0.297     0    0.017   0.188     0.650  100.000   98.942
LGA    I    93_B      I    93_B     0.242     0    0.008   0.220     0.921  100.000   98.810
LGA    M    94_B      M    94_B     0.598     0    0.055   0.479     2.362   95.238   85.238
LGA    A    95_B      A    95_B     0.753     0    0.020   0.024     1.008   90.476   88.667
LGA    G    96_B      G    96_B     0.782     0    0.048   0.048     0.782   90.476   90.476
LGA    D    97_B      D    97_B     0.512     0    0.025   0.169     0.802   90.476   90.476
LGA    S    98_B      S    98_B     0.446     0    0.042   0.082     0.767   97.619   96.825
LGA    W    99_B      W    99_B     0.457     0    0.048   0.145     0.659  100.000   98.639
LGA    C   100_B      C   100_B     0.559     0    0.065   0.083     0.942   90.476   90.476
LGA    I   101_B      I   101_B     0.289     0    0.005   0.036     0.515   97.619   98.810
LGA    P   102_B      P   102_B     0.767     0    0.032   0.044     0.877   90.476   90.476
LGA    K   103_B      K   103_B     1.073     0    0.055   1.229     3.879   88.214   78.307
LGA    N   104_B      N   104_B     0.898     0    0.025   0.344     1.294   90.476   88.214
LGA    V   105_B      V   105_B     0.325     0    0.019   0.045     0.511   97.619   98.639
LGA    H   106_B      H   106_B     0.354     0    0.032   0.086     0.800  100.000   95.238
LGA    H   107_B      H   107_B     0.371     0    0.043   0.109     0.401  100.000  100.000
LGA    H   108_B      H   108_B     0.297     0    0.065   1.154     2.425  100.000   90.095
LGA    A   109_B      A   109_B     0.460     0    0.048   0.044     0.507  100.000   98.095
LGA    E   110_B      E   110_B     0.336     0    0.021   0.802     3.190  100.000   85.767
LGA    I   111_B      I   111_B     0.155     0    0.025   0.440     0.896  100.000   97.619
LGA    L   112_B      L   112_B     0.224     0    0.025   0.051     0.489  100.000  100.000
LGA    E   113_B      E   113_B     0.247     0    0.054   1.011     4.282  100.000   83.122
LGA    N   114_B      N   114_B     0.206     0    0.078   0.296     0.773  100.000   97.619
LGA    S   115_B      S   115_B     0.314     0    0.051   0.112     0.515  100.000   98.413
LGA    V   116_B      V   116_B     0.165     0    0.061   0.069     0.402  100.000  100.000
LGA    A   117_B      A   117_B     0.228     0    0.026   0.031     0.343  100.000  100.000
LGA    V   118_B      V   118_B     0.183     0    0.043   0.084     0.364  100.000  100.000
LGA    E   119_B      E   119_B     0.380     0    0.071   0.687     2.324   95.238   90.794
LGA    V   120_B      V   120_B     0.441     0    0.038   0.076     0.603  100.000   98.639
LGA    F   121_B      F   121_B     0.340     0    0.064   0.097     0.591  100.000   98.268
LGA    A   122_B      A   122_B     0.507     0    0.079   0.078     0.637   90.476   90.476
LGA    P   123_B      P   123_B     0.316     0    0.028   0.044     0.501   97.619   98.639
LGA    T   124_B      T   124_B     0.480     0    0.025   0.240     0.984   95.238   93.197
LGA    R   125_B      R   125_B     0.459     0    0.045   0.118     0.528   97.619   95.671
LGA    E   126_B      E   126_B     0.454     0    0.020   0.980     3.784  100.000   84.815
LGA    E   127_B      E   127_B     0.264     0    0.076   0.833     4.827   97.619   75.556
LGA    Y   128_B      Y   128_B     0.381     0    0.078   0.110     0.720  100.000   96.825
LGA    I   129_B      I   129_B     0.325     0    0.019   0.121     0.484  100.000  100.000
LGA    K   130_B      K   130_B     0.577     0    0.030   0.199     2.510   97.619   85.979
LGA    Y   131_B      Y   131_B     0.501     0    0.024   0.113     1.159   95.238   91.349
LGA    L   132_B      L   132_B     0.226     0    0.039   0.082     0.384  100.000  100.000
LGA    D   133_B      D   133_B     0.335     0    0.033   0.147     0.852  100.000   97.619
LGA    R   134_B      R   134_B     0.341     0    0.065   1.205     7.650  100.000   63.160
LGA    T   135_B      T   135_B     0.492     0    0.015   0.070     0.784   97.619   95.918
LGA    T   136_B      T   136_B     0.600     0    0.064   0.115     1.266   92.857   89.252
LGA    V   137_B      V   137_B     0.610     0    0.004   0.096     0.817   95.238   93.197
LGA    V   138_B      V   138_B     0.560     0    0.036   0.210     0.662   90.476   91.837

# 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):     0.944          0.899                  1.299           94.996   91.210

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    118    0.94    98.517    99.045    11.307

LGA_LOCAL      RMSD:   0.944  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.944  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   0.944  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.984372 * X  +  -0.154631 * Y  +   0.084262 * Z  + -32.863922
  Y_new =   0.094726 * X  +   0.868326 * Y  +   0.486864 * Z  +  26.981771
  Z_new =  -0.148451 * X  +  -0.471273 * Y  +   0.869404 * Z  +   1.316072 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.095935  0.149002 -0.496730   [DEG:    5.4966    8.5372  -28.4606 ]
ZXZ:  2.970219  0.516801 -2.836432   [DEG:  170.1810   29.6105 -162.5156 ]
 
# END of job
