
#######################################################
#                                                     #
#                        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       2.11     2.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116      21_B - 136_B       1.99     2.11
  LONGEST_CONTINUOUS_SEGMENT:   116      22_B - 137_B       1.97     2.11
  LONGEST_CONTINUOUS_SEGMENT:   116      23_B - 138_B       1.93     2.12
  LCS_AVERAGE:     98.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      32_B - 132_B       0.96     2.19
  LCS_AVERAGE:     75.96

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      3  116  118      3    3    3    3   23   40  102  109  109  112  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B      3  116  118      3    3    3    3    4    6   73   81  106  110  112  114  117  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B      3  116  118      3    3    3   22   31   46   86   98  106  109  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B      7  116  118      4    6   54   90  105  106  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B      7  116  118      4    6   60   96  105  106  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B      7  116  118     20   71   94  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B      7  116  118      7   74   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B      7  116  118      3   36   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B     95  116  118      3    6   14   52  103  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B     96  116  118      3    4   21   52   95  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    100  116  118      3    3   38   62  103  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    101  116  118      5   36   72   95  104  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    101  116  118     41   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    101  116  118     13   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    101  116  118     41   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    101  116  118     41   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    101  116  118     22   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    101  116  118     26   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    101  116  118     38   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    101  116  118     42   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    101  116  118     22   80   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    101  116  118     27   80   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    101  116  118     16   71   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    101  116  118     22   80   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    101  116  118     37   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    101  116  118     43   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    101  116  118     33   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    101  116  118     20   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    101  116  118     22   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    101  116  118      6   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    101  116  118     24   80   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    101  116  118     20   79   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    101  116  118     22   80   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    101  116  118     22   79   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    101  116  118     22   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    101  116  118     43   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    101  116  118     38   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    101  116  118     26   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    101  116  118     38   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    101  116  118     24   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    101  116  118     26   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    101  116  118     21   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    101  116  118     38   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    101  116  118     26   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    101  116  118     24   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    101  116  118     43   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    101  116  118     24   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    101  116  118     11   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    101  116  118     10   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    101  116  118     41   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    101  116  118     15   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    101  116  118     22   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    101  116  118     34   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    101  116  118     22   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    101  116  118     20   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    101  116  118     43   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    101  116  118     44   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    101  116  118     37   81   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    101  116  118     17   79   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    101  116  118      4   18   84  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    101  116  118      8   22   85  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    101  116  118      8   23   85  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    101  116  118      6   22   80  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    101  116  118      6   75   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    101  116  118     22   79   95  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    101  116  118      6   47   94  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    101  116  118      6    8   31  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    101  116  118      3   28   85  103  105  107  109  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B     10  116  118      3    7    8   17   43   53  102  107  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B      6  116  118      3    4   15   51   62   97  107  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B      6  116  118      3    5    6    6    6    8   10   26   34  109  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B      6  116  118      3    5    6    6    6  101  106  108  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B      6  116  118      3    5   37   62   91  105  107  109  111  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B      6  116  118      3    5    6   26   35   46   83   98  108  110  114  117  117  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  91.42  (  75.96   98.31  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     44     81     95    103    105    107    109    109    111    113    114    117    117    118    118    118    118    118    118    118 
GDT PERCENT_AT  37.29  68.64  80.51  87.29  88.98  90.68  92.37  92.37  94.07  95.76  96.61  99.15  99.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.58   0.77   0.96   1.05   1.17   1.25   1.25   1.49   1.58   1.66   1.98   1.98   2.11   2.11   2.11   2.11   2.11   2.11   2.11
GDT RMS_ALL_AT   2.40   2.37   2.23   2.17   2.15   2.23   2.20   2.20   2.14   2.15   2.14   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11

# Checking swapping
#   possible swapping detected:  Y    25_B      Y    25_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  Y    71_B      Y    71_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  Y    85_B      Y    85_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  F   121_B      F   121_B
#   possible swapping detected:  E   127_B      E   127_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  Y   131_B      Y   131_B
#   possible swapping detected:  D   133_B      D   133_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     5.782     0    0.533   0.757     7.427   20.476   18.988
LGA    A    22_B      A    22_B     8.586     0    0.327   0.334    11.090    6.071    4.857
LGA    S    23_B      S    23_B     8.102     0    0.637   0.655    11.216   11.548    7.937
LGA    M    24_B      M    24_B     3.607     0    0.681   1.215     4.848   38.810   43.333
LGA    Y    25_B      Y    25_B     3.177     0    0.144   0.277     7.329   61.548   38.849
LGA    A    26_B      A    26_B     1.772     0    0.049   0.062     2.563   73.214   71.524
LGA    K    27_B      K    27_B     1.117     0    0.638   0.989     5.138   75.833   64.868
LGA    H    28_B      H    28_B     1.440     0    0.633   1.037     7.658   79.405   48.476
LGA    S    29_B      S    29_B     3.624     0    0.267   0.332     4.683   42.024   41.429
LGA    A    30_B      A    30_B     3.885     0    0.194   0.184     4.293   41.786   40.857
LGA    Q    31_B      Q    31_B     3.904     0    0.157   1.198     9.867   50.238   26.508
LGA    N    32_B      N    32_B     2.696     0    0.604   0.929     6.147   59.048   45.119
LGA    Y    33_B      Y    33_B     0.829     0    0.126   0.253     1.561   85.952   85.992
LGA    Q    34_B      Q    34_B     0.871     0    0.050   0.875     3.188   90.476   76.455
LGA    P    35_B      P    35_B     0.730     0    0.040   0.248     1.538   90.476   86.667
LGA    L    36_B      L    36_B     0.583     0    0.004   1.362     3.593   90.476   79.345
LGA    L    37_B      L    37_B     0.708     0    0.030   0.630     2.223   90.476   86.131
LGA    P    38_B      P    38_B     1.172     0    0.095   0.105     1.434   81.429   81.429
LGA    G    39_B      G    39_B     0.566     0    0.024   0.024     0.777   95.238   95.238
LGA    I    40_B      I    40_B     0.585     0    0.054   0.608     1.414   95.238   91.726
LGA    K    41_B      K    41_B     0.476     0    0.028   0.943     3.448  100.000   88.413
LGA    I    42_B      I    42_B     0.839     0    0.076   0.156     1.370   85.952   83.690
LGA    K    43_B      K    43_B     1.426     0    0.089   0.530     3.175   81.429   70.688
LGA    T    44_B      T    44_B     1.406     0    0.050   0.106     1.795   79.286   78.980
LGA    L    45_B      L    45_B     1.319     0    0.080   0.088     1.894   79.286   82.619
LGA    V    46_B      V    46_B     0.786     0    0.148   1.149     3.497   95.238   82.449
LGA    Y    47_B      Y    47_B     1.064     0    0.253   1.446     5.833   85.952   67.897
LGA    G    48_B      G    48_B     0.626     0    0.101   0.101     1.011   88.214   88.214
LGA    E    49_B      E    49_B     1.344     0    0.051   0.408     2.565   79.286   74.921
LGA    L    50_B      L    50_B     0.858     0    0.040   0.112     1.632   90.476   84.881
LGA    T    51_B      T    51_B     0.373     0    0.134   1.124     2.670   92.976   84.626
LGA    L    52_B      L    52_B     0.472     0    0.035   0.624     2.078   95.238   90.833
LGA    M    53_B      M    53_B     0.539     0    0.021   0.837     1.820   88.214   84.881
LGA    T    54_B      T    54_B     1.030     0    0.042   0.149     1.433   90.595   86.667
LGA    E    55_B      E    55_B     0.591     0    0.076   0.249     1.849   95.238   89.630
LGA    F    56_B      F    56_B     0.644     0    0.100   0.238     1.396   92.857   88.874
LGA    V    57_B      V    57_B     0.478     0    0.074   0.128     0.931  100.000   95.918
LGA    M    58_B      M    58_B     0.442     0    0.086   0.338     2.062   92.976   89.762
LGA    D    59_B      D    59_B     0.599     0    0.036   0.449     1.639   92.857   88.333
LGA    K    60_B      K    60_B     0.863     0    0.016   0.501     3.180   90.476   81.958
LGA    G    61_B      G    61_B     1.069     0    0.029   0.029     1.069   85.952   85.952
LGA    S    62_B      S    62_B     0.694     0    0.037   0.663     2.282   90.476   87.778
LGA    S    63_B      S    63_B     1.091     0    0.065   0.101     1.482   83.690   82.937
LGA    L    64_B      L    64_B     1.024     0    0.025   1.082     2.672   83.690   78.571
LGA    P    65_B      P    65_B     0.730     0    0.056   0.089     1.053   90.476   89.184
LGA    D    66_B      D    66_B     0.614     0    0.043   0.841     3.904   92.857   76.548
LGA    H    67_B      H    67_B     0.885     0    0.058   0.227     1.235   90.476   89.571
LGA    T    68_B      T    68_B     1.040     0    0.111   1.073     2.627   81.429   75.578
LGA    H    69_B      H    69_B     0.841     0    0.041   1.116     5.249   90.476   65.619
LGA    P    70_B      P    70_B     1.025     0    0.023   0.042     1.106   85.952   84.014
LGA    Y    71_B      Y    71_B     0.787     0    0.076   0.090     1.445   88.214   86.706
LGA    E    72_B      E    72_B     0.533     0    0.043   0.636     2.352   92.857   82.857
LGA    Q    73_B      Q    73_B     0.986     0    0.135   0.523     1.759   88.214   84.497
LGA    T    74_B      T    74_B     0.654     0    0.018   1.029     2.907   90.476   84.422
LGA    G    75_B      G    75_B     0.580     0    0.049   0.049     0.782   90.476   90.476
LGA    Y    76_B      Y    76_B     0.597     0    0.030   0.273     1.410   90.476   90.556
LGA    L    77_B      L    77_B     0.554     0    0.077   0.258     1.118   92.857   90.536
LGA    V    78_B      V    78_B     0.829     0    0.097   1.109     2.227   88.214   81.837
LGA    S    79_B      S    79_B     0.886     0    0.108   0.544     1.925   90.476   86.032
LGA    G    80_B      G    80_B     0.595     0    0.013   0.013     0.620   95.238   95.238
LGA    K    81_B      K    81_B     0.281     0    0.041   0.620     3.164  100.000   85.767
LGA    I    82_B      I    82_B     0.350     0    0.036   0.064     0.602   97.619   97.619
LGA    I    83_B      I    83_B     0.649     0    0.077   0.099     1.210   90.476   88.214
LGA    L    84_B      L    84_B     0.669     0    0.055   0.140     1.079   90.476   89.345
LGA    Y    85_B      Y    85_B     0.830     0    0.037   1.285     9.899   90.476   51.230
LGA    I    86_B      I    86_B     0.723     0    0.027   0.087     0.908   90.476   90.476
LGA    E    87_B      E    87_B     1.058     0    0.286   0.622     2.859   79.524   77.937
LGA    D    88_B      D    88_B     0.938     0    0.129   0.440     2.619   88.214   82.917
LGA    K    89_B      K    89_B     0.784     0    0.031   1.003     6.025   92.857   70.582
LGA    K    90_B      K    90_B     0.645     0    0.067   0.965     5.327   90.476   68.783
LGA    Q    91_B      Q    91_B     0.578     0    0.056   1.080     2.309   95.238   87.937
LGA    Q    92_B      Q    92_B     0.490     0    0.050   1.154     4.454   92.857   79.048
LGA    I    93_B      I    93_B     0.408     0    0.027   0.647     1.998  100.000   95.417
LGA    M    94_B      M    94_B     0.669     0    0.104   1.048     2.887   90.476   82.976
LGA    A    95_B      A    95_B     0.988     0    0.030   0.034     1.431   85.952   85.048
LGA    G    96_B      G    96_B     1.302     0    0.045   0.045     1.408   83.690   83.690
LGA    D    97_B      D    97_B     0.920     0    0.035   0.204     1.100   90.476   87.083
LGA    S    98_B      S    98_B     0.834     0    0.036   0.060     0.864   90.476   90.476
LGA    W    99_B      W    99_B     0.832     0    0.064   0.124     0.853   90.476   92.517
LGA    C   100_B      C   100_B     0.874     0    0.079   0.096     0.996   90.476   90.476
LGA    I   101_B      I   101_B     0.509     0    0.038   0.105     0.754   90.476   92.857
LGA    P   102_B      P   102_B     0.910     0    0.033   0.055     0.978   90.476   90.476
LGA    K   103_B      K   103_B     1.164     0    0.020   1.105     3.850   81.429   76.349
LGA    N   104_B      N   104_B     1.291     0    0.031   0.443     1.661   83.690   81.488
LGA    V   105_B      V   105_B     0.674     0    0.051   0.065     0.919   90.476   91.837
LGA    H   106_B      H   106_B     0.830     0    0.017   0.984     3.413   90.476   76.333
LGA    H   107_B      H   107_B     0.759     0    0.100   0.193     1.005   88.214   94.333
LGA    H   108_B      H   108_B     0.585     0    0.061   0.185     0.724   90.476   92.381
LGA    A   109_B      A   109_B     0.843     0    0.031   0.031     0.903   90.476   90.476
LGA    E   110_B      E   110_B     0.922     0    0.052   0.698     2.613   90.476   79.947
LGA    I   111_B      I   111_B     0.363     0    0.087   0.606     1.455   95.238   89.464
LGA    L   112_B      L   112_B     0.674     0    0.031   0.123     1.210   92.857   90.536
LGA    E   113_B      E   113_B     0.787     0    0.125   1.110     4.060   88.214   74.974
LGA    N   114_B      N   114_B     0.905     0    0.124   0.250     1.555   90.476   87.143
LGA    S   115_B      S   115_B     0.554     0    0.060   0.674     2.205   95.238   90.952
LGA    V   116_B      V   116_B     0.543     0    0.016   0.032     0.689   90.476   90.476
LGA    A   117_B      A   117_B     0.575     0    0.034   0.036     0.617   95.238   94.286
LGA    V   118_B      V   118_B     0.435     0    0.047   0.105     0.660  100.000   97.279
LGA    E   119_B      E   119_B     0.439     0    0.067   0.595     2.138   95.238   91.852
LGA    V   120_B      V   120_B     0.527     0    0.021   0.082     1.110   97.619   93.265
LGA    F   121_B      F   121_B     0.436     0    0.059   0.140     1.351   97.619   89.784
LGA    A   122_B      A   122_B     0.192     0    0.088   0.094     0.830   97.619   96.190
LGA    P   123_B      P   123_B     0.930     0    0.069   0.324     1.473   88.333   87.959
LGA    T   124_B      T   124_B     2.078     0    0.151   1.015     3.321   66.786   63.810
LGA    R   125_B      R   125_B     1.949     0    0.030   1.116     5.145   72.857   65.931
LGA    E   126_B      E   126_B     2.113     0    0.011   0.890     4.072   66.786   60.899
LGA    E   127_B      E   127_B     2.130     0    0.017   1.096     3.184   68.810   68.571
LGA    Y   128_B      Y   128_B     1.191     0    0.169   0.304     1.983   81.548   80.873
LGA    I   129_B      I   129_B     1.043     0    0.018   0.668     3.357   79.286   74.286
LGA    K   130_B      K   130_B     2.118     0    0.021   0.731     4.044   64.881   57.619
LGA    Y   131_B      Y   131_B     2.144     0    0.036   0.189     2.581   64.881   64.167
LGA    L   132_B      L   132_B     1.974     0    0.610   1.405     4.679   75.238   62.321
LGA    D   133_B      D   133_B     5.451     0    0.517   1.338    10.995   26.548   13.929
LGA    R   134_B      R   134_B     5.871     0    0.121   0.949    12.383   21.429   10.649
LGA    T   135_B      T   135_B     7.010     0    0.073   0.168     8.597   12.976    9.184
LGA    T   136_B      T   136_B     5.198     0    0.021   0.110     8.213   33.214   25.170
LGA    V   137_B      V   137_B     5.288     0    0.031   0.098     8.471   22.619   17.959
LGA    V   138_B      V   138_B     7.701     0    0.155   1.188     9.373    6.190    9.660

# 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):     2.106          2.071                  2.667           80.974   75.526

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    109    1.25    87.076    91.960     8.053

LGA_LOCAL      RMSD:   1.253  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.201  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.106  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.194541 * X  +  -0.151693 * Y  +   0.969094 * Z  +   4.122399
  Y_new =  -0.962584 * X  +  -0.219529 * Y  +   0.158871 * Z  +  42.314945
  Z_new =   0.188644 * X  +  -0.963741 * Y  +  -0.188725 * Z  +   4.374639 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.371380 -0.189781 -1.764175   [DEG:  -78.5743  -10.8737 -101.0798 ]
ZXZ:  1.733288  1.760660  2.948295   [DEG:   99.3101  100.8784  168.9249 ]
 
# END of job
