
#######################################################
#                                                     #
#                        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       0.67     0.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.67     0.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      21_B - 138_B       0.67     0.67
  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      2    3    4   68  117  117  118  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    7   24   44  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B    118  118  118     25  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    118  118  118     68  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B    118  118  118     48  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B    118  118  118     72  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B    118  118  118     51  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B    118  118  118     48  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B    118  118  118     66  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B    118  118  118     52  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    118  118  118     45  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    118  118  118     88  114  116  116  117  117  118  118  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  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    118  118  118     88  114  116  116  117  117  118  118  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  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    118  118  118     81  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    118  118  118     50  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    118  118  118     50  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    118  118  118     86  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    118  118  118     80  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    118  118  118     86  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    118  118  118     81  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    118  118  118     13  114  116  116  117  117  118  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  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    118  118  118     50  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    118  118  118     40  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    118  118  118     88  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B    118  118  118     87  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B    118  118  118     82  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B    118  118  118     68  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B    118  118  118     82  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B    118  118  118     68  114  116  116  117  117  118  118  118  118  118  118  118  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B    118  118  118     23   79  116  116  117  117  118  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     88    114    116    116    117    117    118    118    118    118    118    118    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  74.58  96.61  98.31  98.31  99.15  99.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.47   0.50   0.50   0.57   0.57   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67
GDT RMS_ALL_AT   0.72   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67   0.67

# 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   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     3.710     0    0.239   1.142     9.094   52.024   31.071
LGA    A    22_B      A    22_B     3.100     0    0.601   0.586     5.797   61.071   53.143
LGA    S    23_B      S    23_B     1.046     0    0.015   0.562     2.616   81.548   78.968
LGA    M    24_B      M    24_B     0.662     0    0.064   0.534     1.908   90.476   84.940
LGA    Y    25_B      Y    25_B     0.827     0    0.123   0.149     1.021   90.476   89.722
LGA    A    26_B      A    26_B     0.571     0    0.039   0.045     0.725   90.476   92.381
LGA    K    27_B      K    27_B     0.802     0    0.052   0.675     3.839   90.476   78.995
LGA    H    28_B      H    28_B     0.778     0    0.063   0.187     1.263   90.476   86.857
LGA    S    29_B      S    29_B     0.688     0    0.065   0.125     0.882   90.476   92.063
LGA    A    30_B      A    30_B     0.693     0    0.018   0.036     0.744   90.476   90.476
LGA    Q    31_B      Q    31_B     0.960     0    0.036   1.199     4.285   92.857   77.831
LGA    N    32_B      N    32_B     0.461     0    0.105   0.540     1.582   95.238   90.655
LGA    Y    33_B      Y    33_B     0.469     0    0.055   0.134     0.954   92.857   95.238
LGA    Q    34_B      Q    34_B     0.409     0    0.014   1.046     2.272   97.619   91.111
LGA    P    35_B      P    35_B     0.454     0    0.065   0.241     0.973  100.000   98.639
LGA    L    36_B      L    36_B     0.534     0    0.013   0.234     0.710   90.476   90.476
LGA    L    37_B      L    37_B     0.559     0    0.022   0.114     0.894   95.238   92.857
LGA    P    38_B      P    38_B     0.488     0    0.011   0.044     0.686   97.619   94.558
LGA    G    39_B      G    39_B     0.420     0    0.060   0.060     0.508   97.619   97.619
LGA    I    40_B      I    40_B     0.448     0    0.025   0.618     1.557  100.000   95.417
LGA    K    41_B      K    41_B     0.135     0    0.010   0.838     2.475  100.000   92.169
LGA    I    42_B      I    42_B     0.294     0    0.012   0.093     0.444  100.000  100.000
LGA    K    43_B      K    43_B     0.420     0    0.036   0.622     1.941  100.000   92.910
LGA    T    44_B      T    44_B     0.196     0    0.019   0.083     0.380  100.000  100.000
LGA    L    45_B      L    45_B     0.307     0    0.046   0.062     0.547   97.619   98.810
LGA    V    46_B      V    46_B     0.203     0    0.058   1.187     2.553  100.000   88.844
LGA    Y    47_B      Y    47_B     0.226     0    0.026   0.138     0.754  100.000   98.413
LGA    G    48_B      G    48_B     0.188     0    0.051   0.051     0.479  100.000  100.000
LGA    E    49_B      E    49_B     0.447     0    0.013   0.268     0.992  100.000   96.825
LGA    L    50_B      L    50_B     0.113     0    0.010   0.138     0.649  100.000   98.810
LGA    T    51_B      T    51_B     0.157     0    0.068   0.109     0.510   97.619   98.639
LGA    L    52_B      L    52_B     0.212     0    0.013   0.110     0.543  100.000   98.810
LGA    M    53_B      M    53_B     0.227     0    0.013   0.090     0.350  100.000  100.000
LGA    T    54_B      T    54_B     0.401     0    0.067   0.149     0.497  100.000  100.000
LGA    E    55_B      E    55_B     0.317     0    0.041   0.389     1.496  100.000   95.820
LGA    F    56_B      F    56_B     0.490     0    0.070   0.209     0.613   97.619   93.939
LGA    V    57_B      V    57_B     0.452     0    0.039   0.101     0.676  100.000   95.918
LGA    M    58_B      M    58_B     0.326     0    0.072   0.197     0.566   97.619   98.810
LGA    D    59_B      D    59_B     0.360     0    0.038   0.545     1.548  100.000   92.024
LGA    K    60_B      K    60_B     0.450     0    0.031   0.069     1.327  100.000   92.698
LGA    G    61_B      G    61_B     0.509     0    0.043   0.043     0.542   95.238   95.238
LGA    S    62_B      S    62_B     0.313     0    0.051   0.099     0.395  100.000  100.000
LGA    S    63_B      S    63_B     0.370     0    0.009   0.037     0.669  100.000   96.825
LGA    L    64_B      L    64_B     0.578     0    0.024   0.750     3.048   90.476   84.286
LGA    P    65_B      P    65_B     0.464     0    0.037   0.049     0.524   97.619   95.918
LGA    D    66_B      D    66_B     0.162     0    0.031   0.572     1.489  100.000   95.357
LGA    H    67_B      H    67_B     0.270     0    0.062   0.128     0.721   97.619   96.190
LGA    T    68_B      T    68_B     0.228     0    0.064   1.076     2.607  100.000   88.844
LGA    H    69_B      H    69_B     0.654     0    0.053   0.146     0.748   92.857   94.286
LGA    P    70_B      P    70_B     0.723     0    0.192   0.183     1.629   86.071   87.959
LGA    Y    71_B      Y    71_B     0.484     0    0.038   0.171     0.815   95.238   93.651
LGA    E    72_B      E    72_B     0.506     0    0.021   0.237     1.124   95.238   91.587
LGA    Q    73_B      Q    73_B     0.540     0    0.037   0.113     0.618   92.857   93.651
LGA    T    74_B      T    74_B     0.436     0    0.043   1.168     2.330  100.000   88.571
LGA    G    75_B      G    75_B     0.397     0    0.028   0.028     0.478  100.000  100.000
LGA    Y    76_B      Y    76_B     0.438     0    0.023   0.182     1.343  100.000   90.635
LGA    L    77_B      L    77_B     0.486     0    0.013   0.179     0.828   95.238   92.857
LGA    V    78_B      V    78_B     0.497     0    0.010   0.027     0.513   95.238   97.279
LGA    S    79_B      S    79_B     0.438     0    0.048   0.070     0.460  100.000  100.000
LGA    G    80_B      G    80_B     0.494     0    0.010   0.010     0.494  100.000  100.000
LGA    K    81_B      K    81_B     0.369     0    0.014   0.642     2.345  100.000   91.111
LGA    I    82_B      I    82_B     0.355     0    0.031   0.057     0.478  100.000  100.000
LGA    I    83_B      I    83_B     0.402     0    0.060   0.067     0.837  100.000   95.238
LGA    L    84_B      L    84_B     0.387     0    0.051   0.126     0.527  100.000   98.810
LGA    Y    85_B      Y    85_B     0.521     0    0.023   0.068     0.799   97.619   92.857
LGA    I    86_B      I    86_B     0.535     0    0.027   0.099     0.596   90.476   94.048
LGA    E    87_B      E    87_B     0.394     0    0.049   0.417     2.568  100.000   85.344
LGA    D    88_B      D    88_B     0.532     0    0.054   0.183     1.352   92.857   91.726
LGA    K    89_B      K    89_B     0.438     0    0.106   0.558     2.295   95.238   87.937
LGA    K    90_B      K    90_B     0.487     0    0.041   0.291     1.651   92.857   91.693
LGA    Q    91_B      Q    91_B     0.391     0    0.016   0.601     2.342   97.619   83.280
LGA    Q    92_B      Q    92_B     0.455     0    0.024   0.242     1.002   95.238   91.587
LGA    I    93_B      I    93_B     0.449     0    0.014   0.206     1.054   92.857   91.726
LGA    M    94_B      M    94_B     0.798     0    0.063   0.459     2.631   90.476   78.750
LGA    A    95_B      A    95_B     0.789     0    0.012   0.018     1.032   90.476   88.667
LGA    G    96_B      G    96_B     0.742     0    0.049   0.049     0.742   90.476   90.476
LGA    D    97_B      D    97_B     0.449     0    0.028   0.166     0.941   95.238   92.857
LGA    S    98_B      S    98_B     0.376     0    0.042   0.086     0.757   97.619   96.825
LGA    W    99_B      W    99_B     0.425     0    0.052   0.126     0.585   97.619   97.959
LGA    C   100_B      C   100_B     0.600     0    0.058   0.076     1.082   88.214   87.460
LGA    I   101_B      I   101_B     0.291     0    0.010   0.101     0.606  100.000   97.619
LGA    P   102_B      P   102_B     0.820     0    0.036   0.052     1.009   90.476   87.891
LGA    K   103_B      K   103_B     1.036     0    0.059   1.221     3.743   88.214   77.407
LGA    N   104_B      N   104_B     0.696     0    0.021   0.375     1.082   95.238   91.726
LGA    V   105_B      V   105_B     0.150     0    0.025   0.095     0.646  100.000   98.639
LGA    H   106_B      H   106_B     0.413     0    0.032   0.102     1.283   97.619   90.619
LGA    H   107_B      H   107_B     0.405     0    0.041   0.095     0.417  100.000  100.000
LGA    H   108_B      H   108_B     0.282     0    0.066   1.154     2.453  100.000   90.095
LGA    A   109_B      A   109_B     0.470     0    0.041   0.038     0.492  100.000  100.000
LGA    E   110_B      E   110_B     0.267     0    0.019   0.809     3.363  100.000   85.767
LGA    I   111_B      I   111_B     0.126     0    0.024   0.108     0.418  100.000  100.000
LGA    L   112_B      L   112_B     0.318     0    0.024   0.051     0.656   97.619   96.429
LGA    E   113_B      E   113_B     0.300     0    0.059   1.023     4.137  100.000   82.169
LGA    N   114_B      N   114_B     0.298     0    0.078   0.323     1.003  100.000   96.488
LGA    S   115_B      S   115_B     0.263     0    0.042   0.107     0.437  100.000  100.000
LGA    V   116_B      V   116_B     0.271     0    0.054   0.058     0.487  100.000  100.000
LGA    A   117_B      A   117_B     0.292     0    0.026   0.030     0.406  100.000  100.000
LGA    V   118_B      V   118_B     0.267     0    0.040   0.081     0.440  100.000  100.000
LGA    E   119_B      E   119_B     0.288     0    0.070   0.736     2.383   97.619   90.847
LGA    V   120_B      V   120_B     0.289     0    0.044   0.082     0.443  100.000  100.000
LGA    F   121_B      F   121_B     0.178     0    0.069   0.086     0.444  100.000  100.000
LGA    A   122_B      A   122_B     0.342     0    0.072   0.071     0.507   97.619   98.095
LGA    P   123_B      P   123_B     0.238     0    0.021   0.042     0.382  100.000  100.000
LGA    T   124_B      T   124_B     0.392     0    0.016   0.159     0.844  100.000   98.639
LGA    R   125_B      R   125_B     0.359     0    0.067   0.119     0.523  100.000   99.134
LGA    E   126_B      E   126_B     0.604     0    0.017   0.955     3.878   97.619   79.206
LGA    E   127_B      E   127_B     0.190     0    0.090   0.825     5.018   97.619   72.487
LGA    Y   128_B      Y   128_B     0.223     0    0.060   0.131     0.501  100.000   99.206
LGA    I   129_B      I   129_B     0.474     0    0.024   0.097     0.686   95.238   92.857
LGA    K   130_B      K   130_B     0.812     0    0.025   0.230     2.687   90.476   79.947
LGA    Y   131_B      Y   131_B     0.612     0    0.022   0.086     1.267   92.857   88.254
LGA    L   132_B      L   132_B     0.208     0    0.026   0.093     0.351  100.000  100.000
LGA    D   133_B      D   133_B     0.375     0    0.040   0.126     0.966   97.619   94.048
LGA    R   134_B      R   134_B     0.508     0    0.054   1.104     8.794   95.238   57.489
LGA    T   135_B      T   135_B     0.575     0    0.016   0.076     0.958   92.857   91.837
LGA    T   136_B      T   136_B     0.490     0    0.016   0.105     0.680   92.857   91.837
LGA    V   137_B      V   137_B     0.641     0    0.027   0.069     0.847   90.476   91.837
LGA    V   138_B      V   138_B     1.465     0    0.032   0.200     1.935   83.690   79.048

# 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):     0.666          0.643                  1.168           95.826   91.928

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    118    0.67    98.729    99.379    15.412

LGA_LOCAL      RMSD:   0.666  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.666  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   0.666  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.728759 * X  +   0.150587 * Y  +  -0.668008 * Z  + -34.360630
  Y_new =  -0.342119 * X  +  -0.764977 * Y  +  -0.545679 * Z  +  26.161680
  Z_new =  -0.593182 * X  +   0.626206 * Y  +  -0.505965 * Z  +   2.642970 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.438914  0.635006  2.250387   [DEG:  -25.1479   36.3832  128.9377 ]
ZXZ: -0.885850  2.101297 -0.758322   [DEG:  -50.7555  120.3954  -43.4487 ]
 
# END of job
