
#######################################################
#                                                     #
#                        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    7   10   33   98  112  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   59   94  113  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    5   49   62  107  115  117  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    118  118  118     26  109  115  115  115  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     36  114  115  115  115  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     27  114  115  115  115  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     26  114  115  115  115  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     30  114  115  115  115  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     30  114  115  115  115  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     30  114  115  115  115  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     26  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     85  114  115  115  115  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     87  114  115  115  115  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  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     84  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     57  114  115  115  115  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     80  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     82  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     49  114  115  115  115  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     82  114  115  115  115  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     82  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     23  114  115  115  115  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  114  115  115  115  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     57  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     72  114  115  115  115  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     87  114  115  115  115  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     87  114  115  115  115  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     56  114  115  115  115  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     56  114  115  115  115  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     56  114  115  115  115  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  114  115  115  115  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     12  114  115  115  115  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  114  115  115  115  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     87    114    115    115    115    116    116    117    118    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  73.73  96.61  97.46  97.46  97.46  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   0.47   0.48   0.48   0.48   0.58   0.58   0.75   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   1.03   1.01   1.01   1.01   1.01   1.00   1.00   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:  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   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     6.953     0    0.297   0.964     9.821   14.762    8.036
LGA    A    22_B      A    22_B     3.215     0    0.551   0.530     4.492   46.786   52.000
LGA    S    23_B      S    23_B     5.228     0    0.157   0.671     9.467   34.881   24.683
LGA    M    24_B      M    24_B     1.337     0    0.639   0.899     8.481   83.690   51.726
LGA    Y    25_B      Y    25_B     0.768     0    0.118   0.118     1.494   90.476   85.952
LGA    A    26_B      A    26_B     0.887     0    0.022   0.045     0.976   90.476   90.476
LGA    K    27_B      K    27_B     1.001     0    0.049   0.636     3.292   88.214   80.476
LGA    H    28_B      H    28_B     1.022     0    0.052   0.159     1.338   85.952   83.238
LGA    S    29_B      S    29_B     0.968     0    0.089   0.167     1.149   85.952   87.460
LGA    A    30_B      A    30_B     0.989     0    0.030   0.047     1.076   88.214   86.857
LGA    Q    31_B      Q    31_B     1.135     0    0.030   1.207     4.419   88.333   74.921
LGA    N    32_B      N    32_B     0.535     0    0.082   0.498     1.418   92.857   90.536
LGA    Y    33_B      Y    33_B     0.547     0    0.064   0.138     1.024   88.214   92.897
LGA    Q    34_B      Q    34_B     0.505     0    0.024   1.045     2.456   92.857   87.778
LGA    P    35_B      P    35_B     0.438     0    0.058   0.216     0.475  100.000  100.000
LGA    L    36_B      L    36_B     0.533     0    0.011   0.231     0.637   90.476   94.048
LGA    L    37_B      L    37_B     0.501     0    0.019   0.099     0.723   97.619   95.238
LGA    P    38_B      P    38_B     0.452     0    0.008   0.041     0.713   97.619   94.558
LGA    G    39_B      G    39_B     0.266     0    0.049   0.049     0.410  100.000  100.000
LGA    I    40_B      I    40_B     0.293     0    0.020   0.616     1.744  100.000   95.417
LGA    K    41_B      K    41_B     0.142     0    0.010   0.826     2.215  100.000   91.111
LGA    I    42_B      I    42_B     0.288     0    0.015   0.097     0.414  100.000  100.000
LGA    K    43_B      K    43_B     0.402     0    0.029   0.358     1.008  100.000   97.937
LGA    T    44_B      T    44_B     0.140     0    0.010   0.081     0.249  100.000  100.000
LGA    L    45_B      L    45_B     0.223     0    0.047   0.061     0.509   97.619   98.810
LGA    V    46_B      V    46_B     0.132     0    0.054   0.079     0.196  100.000  100.000
LGA    Y    47_B      Y    47_B     0.327     0    0.047   0.264     0.905   97.619   96.825
LGA    G    48_B      G    48_B     0.258     0    0.033   0.033     0.396  100.000  100.000
LGA    E    49_B      E    49_B     0.329     0    0.025   0.334     1.093  100.000   95.820
LGA    L    50_B      L    50_B     0.070     0    0.017   0.120     0.556  100.000   98.810
LGA    T    51_B      T    51_B     0.095     0    0.065   0.112     0.422  100.000  100.000
LGA    L    52_B      L    52_B     0.109     0    0.024   0.155     0.653  100.000   98.810
LGA    M    53_B      M    53_B     0.131     0    0.013   0.098     0.358  100.000  100.000
LGA    T    54_B      T    54_B     0.340     0    0.064   0.094     0.345  100.000  100.000
LGA    E    55_B      E    55_B     0.272     0    0.053   0.343     1.432  100.000   96.878
LGA    F    56_B      F    56_B     0.506     0    0.067   0.259     0.878   92.857   92.208
LGA    V    57_B      V    57_B     0.400     0    0.037   0.092     0.596  100.000   97.279
LGA    M    58_B      M    58_B     0.243     0    0.070   0.216     0.460  100.000  100.000
LGA    D    59_B      D    59_B     0.284     0    0.039   0.551     1.660  100.000   93.095
LGA    K    60_B      K    60_B     0.398     0    0.030   0.066     1.397  100.000   92.698
LGA    G    61_B      G    61_B     0.551     0    0.045   0.045     0.645   92.857   92.857
LGA    S    62_B      S    62_B     0.448     0    0.052   0.095     0.517   97.619   98.413
LGA    S    63_B      S    63_B     0.466     0    0.012   0.040     0.717  100.000   96.825
LGA    L    64_B      L    64_B     0.567     0    0.021   0.771     3.327   90.476   82.083
LGA    P    65_B      P    65_B     0.379     0    0.038   0.049     0.485  100.000  100.000
LGA    D    66_B      D    66_B     0.183     0    0.030   0.578     1.584  100.000   95.417
LGA    H    67_B      H    67_B     0.409     0    0.070   0.138     0.773   97.619   96.190
LGA    T    68_B      T    68_B     0.273     0    0.067   1.087     2.678  100.000   88.844
LGA    H    69_B      H    69_B     0.629     0    0.051   0.126     0.703   92.857   92.381
LGA    P    70_B      P    70_B     0.638     0    0.151   0.141     1.314   88.214   89.184
LGA    Y    71_B      Y    71_B     0.434     0    0.041   0.159     0.824   95.238   94.444
LGA    E    72_B      E    72_B     0.462     0    0.018   0.224     0.959  100.000   96.825
LGA    Q    73_B      Q    73_B     0.409     0    0.032   0.113     0.463  100.000  100.000
LGA    T    74_B      T    74_B     0.358     0    0.051   1.155     2.234   97.619   87.211
LGA    G    75_B      G    75_B     0.390     0    0.026   0.026     0.435  100.000  100.000
LGA    Y    76_B      Y    76_B     0.396     0    0.020   0.186     1.259  100.000   92.222
LGA    L    77_B      L    77_B     0.411     0    0.019   0.184     0.824   97.619   95.238
LGA    V    78_B      V    78_B     0.432     0    0.019   0.036     0.454  100.000  100.000
LGA    S    79_B      S    79_B     0.375     0    0.065   0.104     0.508   97.619   98.413
LGA    G    80_B      G    80_B     0.374     0    0.010   0.010     0.414  100.000  100.000
LGA    K    81_B      K    81_B     0.328     0    0.019   0.603     2.260  100.000   92.169
LGA    I    82_B      I    82_B     0.336     0    0.048   0.065     0.434  100.000  100.000
LGA    I    83_B      I    83_B     0.385     0    0.066   0.078     0.851  100.000   95.238
LGA    L    84_B      L    84_B     0.379     0    0.051   0.126     0.436  100.000  100.000
LGA    Y    85_B      Y    85_B     0.499     0    0.022   0.072     0.648  100.000   94.444
LGA    I    86_B      I    86_B     0.588     0    0.020   0.088     0.695   90.476   91.667
LGA    E    87_B      E    87_B     0.463     0    0.046   1.165     5.127   95.238   76.772
LGA    D    88_B      D    88_B     0.462     0    0.066   0.164     1.147   97.619   94.107
LGA    K    89_B      K    89_B     0.365     0    0.136   0.589     2.174   97.619   90.053
LGA    K    90_B      K    90_B     0.354     0    0.013   0.305     1.245   95.238   94.762
LGA    Q    91_B      Q    91_B     0.398     0    0.011   0.580     2.365  100.000   84.339
LGA    Q    92_B      Q    92_B     0.399     0    0.042   0.335     1.198  100.000   96.878
LGA    I    93_B      I    93_B     0.407     0    0.005   0.217     1.061  100.000   96.488
LGA    M    94_B      M    94_B     0.810     0    0.063   0.476     2.697   90.476   78.750
LGA    A    95_B      A    95_B     0.762     0    0.010   0.018     1.001   90.476   88.667
LGA    G    96_B      G    96_B     0.709     0    0.041   0.041     0.709   90.476   90.476
LGA    D    97_B      D    97_B     0.405     0    0.032   0.169     0.941   97.619   95.238
LGA    S    98_B      S    98_B     0.343     0    0.069   0.104     0.632   97.619   96.825
LGA    W    99_B      W    99_B     0.368     0    0.054   0.136     0.501  100.000   99.320
LGA    C   100_B      C   100_B     0.536     0    0.054   0.074     1.004   90.595   90.556
LGA    I   101_B      I   101_B     0.307     0    0.013   0.140     0.689  100.000   97.619
LGA    P   102_B      P   102_B     0.774     0    0.035   0.056     0.951   90.476   90.476
LGA    K   103_B      K   103_B     1.021     0    0.061   1.211     3.748   88.214   78.307
LGA    N   104_B      N   104_B     0.694     0    0.039   0.339     0.880   95.238   92.857
LGA    V   105_B      V   105_B     0.307     0    0.018   0.134     0.754   97.619   97.279
LGA    H   106_B      H   106_B     0.301     0    0.027   0.105     0.849  100.000   95.238
LGA    H   107_B      H   107_B     0.352     0    0.042   0.090     0.389  100.000  100.000
LGA    H   108_B      H   108_B     0.275     0    0.063   1.153     2.472  100.000   90.095
LGA    A   109_B      A   109_B     0.476     0    0.040   0.038     0.513  100.000   98.095
LGA    E   110_B      E   110_B     0.329     0    0.022   0.825     3.481  100.000   85.767
LGA    I   111_B      I   111_B     0.091     0    0.021   0.110     0.457  100.000  100.000
LGA    L   112_B      L   112_B     0.254     0    0.026   0.042     0.672   97.619   96.429
LGA    E   113_B      E   113_B     0.179     0    0.055   1.019     3.910  100.000   83.757
LGA    N   114_B      N   114_B     0.237     0    0.076   0.320     0.847  100.000   97.619
LGA    S   115_B      S   115_B     0.282     0    0.037   0.108     0.457  100.000  100.000
LGA    V   116_B      V   116_B     0.310     0    0.050   0.055     0.557  100.000   98.639
LGA    A   117_B      A   117_B     0.233     0    0.025   0.031     0.348  100.000  100.000
LGA    V   118_B      V   118_B     0.224     0    0.043   0.081     0.400  100.000  100.000
LGA    E   119_B      E   119_B     0.344     0    0.081   0.698     2.298   97.619   91.852
LGA    V   120_B      V   120_B     0.276     0    0.037   0.074     0.421  100.000  100.000
LGA    F   121_B      F   121_B     0.161     0    0.069   0.099     0.491  100.000  100.000
LGA    A   122_B      A   122_B     0.305     0    0.068   0.068     0.417  100.000  100.000
LGA    P   123_B      P   123_B     0.181     0    0.024   0.045     0.321  100.000  100.000
LGA    T   124_B      T   124_B     0.376     0    0.018   0.177     0.821  100.000   98.639
LGA    R   125_B      R   125_B     0.363     0    0.073   0.132     0.536   97.619   99.134
LGA    E   126_B      E   126_B     0.571     0    0.024   0.964     3.980   95.238   78.995
LGA    E   127_B      E   127_B     0.163     0    0.063   0.692     3.745   97.619   78.360
LGA    Y   128_B      Y   128_B     0.300     0    0.066   0.121     0.626  100.000   97.619
LGA    I   129_B      I   129_B     0.477     0    0.027   0.107     0.573   95.238   95.238
LGA    K   130_B      K   130_B     0.752     0    0.046   0.188     2.541   90.476   81.852
LGA    Y   131_B      Y   131_B     0.513     0    0.020   0.088     1.061   95.238   90.556
LGA    L   132_B      L   132_B     0.149     0    0.043   0.078     0.287  100.000  100.000
LGA    D   133_B      D   133_B     0.512     0    0.019   0.135     1.138   92.857   89.405
LGA    R   134_B      R   134_B     0.593     0    0.072   1.379     8.051   90.476   56.840
LGA    T   135_B      T   135_B     0.802     0    0.012   0.074     1.301   90.476   89.184
LGA    T   136_B      T   136_B     0.693     0    0.077   0.117     1.390   90.476   86.599
LGA    V   137_B      V   137_B     0.761     0    0.024   0.111     1.015   92.857   90.544
LGA    V   138_B      V   138_B     0.658     0    0.027   0.147     0.724   90.476   93.197

# 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):     0.979          0.960                  1.406           95.021   91.441

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    117    0.75    98.305    98.952    13.703

LGA_LOCAL      RMSD:   0.754  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.986  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   0.979  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.564473 * X  +  -0.730345 * Y  +  -0.384664 * Z  + -33.310894
  Y_new =   0.536146 * X  +  -0.029931 * Y  +   0.843594 * Z  +  25.654577
  Z_new =  -0.627629 * X  +  -0.682422 * Y  +   0.374676 * Z  +   2.272120 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.759667  0.678503 -1.068691   [DEG:   43.5257   38.8754  -61.2315 ]
ZXZ: -2.713775  1.186749 -2.397996   [DEG: -155.4879   67.9957 -137.3950 ]
 
# END of job
