
#######################################################
#                                                     #
#                        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  118 (  881),  selected  118 , name one
# Molecule2: number of CA atoms  118 (  880),  selected  118 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       2.80     2.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      15_A - 115_A       1.59     2.97
  LCS_AVERAGE:     74.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      15_A - 113_A       0.76     3.06
  LCS_AVERAGE:     71.59

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     E    15_B     E    15_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V    16_B     V    16_A     99  101  118     49  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Q    17_B     Q    17_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L    18_B     L    18_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V    19_B     V    19_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     E    20_B     E    20_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    21_B     S    21_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    22_B     G    22_A     99  101  118     73  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    23_B     G    23_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    24_B     G    24_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L    25_B     L    25_A     99  101  118     70  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V    26_B     V    26_A     99  101  118     39  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L    27_B     L    27_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     P    28_B     P    28_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    29_B     G    29_A     99  101  118     23   99  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    30_B     G    30_A     99  101  118     56  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    31_B     S    31_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L    32_B     L    32_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     K    33_B     K    33_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L    34_B     L    34_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    35_B     S    35_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     C    36_B     C    36_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    37_B     A    37_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    38_B     A    38_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    39_B     S    39_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    40_B     G    40_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     F    41_B     F    41_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     N    42_B     N    42_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     F    43_B     F    43_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    44_B     G    44_A     99  101  118     72  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    45_B     S    45_A     99  101  118     44  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    46_B     S    46_A     99  101  118     52  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     D    47_B     D    47_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     M    48_B     M    48_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     N    49_B     N    49_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     W    50_B     W    50_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V    51_B     V    51_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     R    52_B     R    52_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Q    53_B     Q    53_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    54_B     A    54_A     99  101  118     62  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    55_B     A    55_A     99  101  118      7   59  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    56_B     G    56_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  113  116  118  118  118  118  118 
LCS_GDT     K    57_B     K    57_A     99  101  118     63  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    58_B     G    58_A     99  101  118     42  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     P    59_B     P    59_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     E    60_B     E    60_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     W    61_B     W    61_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V    62_B     V    62_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    63_B     A    63_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    64_B     S    64_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     I    65_B     I    65_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     E    66_B     E    66_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     R    67_B     R    67_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    68_B     G    68_A     99  101  118      3   34  102  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    69_B     A    69_A     99  101  118      3    3    4    4   43   97  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    70_B     G    70_A     99  101  118      3    3   83  105  108  109  111  111  111  111  111  112  112  113  114  118  118  118  118  118 
LCS_GDT     G    71_B     G    71_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     T    72_B     T    72_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     D    73_B     D    73_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Y    74_B     Y    74_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    75_B     A    75_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     D    76_B     D    76_A     99  101  118     74  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    77_B     S    77_A     99  101  118     72  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Q    79_B     Q    79_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     R    81_B     R    81_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     F    82_B     F    82_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     T    83_B     T    83_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V    84_B     V    84_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    85_B     S    85_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     R    86_B     R    86_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     D    87_B     D    87_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     N    88_B     N    88_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A    89_B     A    89_A     99  101  118     73  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    91_B     S    91_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     T    92_B     T    92_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L    93_B     L    93_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     W    94_B     W    94_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L    95_B     L    95_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Q    96_B     Q    96_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     M    97_B     M    97_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     N    98_B     N    98_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S    99_B     S    99_A     99  101  118     72  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     L   100_B     L   100_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     K   101_B     K   101_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A   102_B     A   102_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     E   103_B     E   103_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     D   104_B     D   104_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     T   105_B     T   105_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     A   106_B     A   106_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V   107_B     V   107_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Y   108_B     Y   108_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Y   109_B     Y   109_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     C   110_B     C   110_A     99  101  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V   111_B     V   111_A     99  101  118     27  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V   112_B     V   112_A     99  101  118     40  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S   113_B     S   113_A     99  101  118      3    4   47   99  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     D   114_B     D   114_A      4  101  118      3    3    5    5    5    5    8   19   56   60   68  105  112  113  116  118  118  118  118  118 
LCS_GDT     N   115_B     N   115_A      4  101  118      3    3    5    5    5    6    8   14   39   57   66  101  111  114  116  118  118  118  118  118 
LCS_GDT     S   116_B     S   116_A      3    5  118      0    3    3    4    5    6    8   10   12   28   41   61  101  114  116  118  118  118  118  118 
LCS_GDT     G   117_B     G   117_A      3    5  118      0    3    3    4    5   24   33   38   43   52   77   97  108  114  116  118  118  118  118  118 
LCS_GDT     Y   118_B     Y   118_A      3    5  118      3    3    8   12   18   25   33   38   43   50   77   87  104  114  116  118  118  118  118  118 
LCS_GDT     Y   119_B     Y   119_A      3   14  118      3    3    4    4    5   11   23   32   40   46   77   83   94  112  116  118  118  118  118  118 
LCS_GDT     K   120_B     K   120_A      3   14  118      3    3    4   10   19   25   61   85  100  109  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Y   121_B     Y   121_A     12   14  118      6   13   21   39   97  107  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     W   122_B     W   122_A     12   14  118      6   13   27   83  106  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G   123_B     G   123_A     12   14  118      5   13   62  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Q   124_B     Q   124_A     12   14  118      6   90  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     G   125_B     G   125_A     12   14  118     55  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     T   126_B     T   126_A     12   14  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     Q   127_B     Q   127_A     12   14  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V   128_B     V   128_A     12   14  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     T   129_B     T   129_A     12   14  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     V   130_B     V   130_A     12   14  118     75  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S   131_B     S   131_A     12   14  118     45  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_GDT     S   132_B     S   132_A     12   14  118     42  100  103  105  108  109  111  111  111  111  111  112  112  114  116  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  82.12  (  71.59   74.78  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     75    100    103    105    108    109    111    111    111    111    111    112    112    114    116    118    118    118    118    118 
GDT PERCENT_AT  63.56  84.75  87.29  88.98  91.53  92.37  94.07  94.07  94.07  94.07  94.07  94.92  94.92  96.61  98.31 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.46   0.51   0.57   0.72   0.79   0.94   0.94   0.94   0.94   0.94   1.28   1.28   2.55   2.70   2.80   2.80   2.80   2.80   2.80
GDT RMS_ALL_AT   3.05   3.05   3.03   3.04   3.05   3.04   3.01   3.01   3.01   3.01   3.01   2.96   2.96   2.81   2.81   2.80   2.80   2.80   2.80   2.80

# Checking swapping
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    66_B      E    66_A
#   possible swapping detected:  Y   109_B      Y   109_A
#   possible swapping detected:  Y   118_B      Y   118_A
#   possible swapping detected:  Y   121_B      Y   121_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    15_B      E    15_A     0.446     0    0.065   1.225     2.996   88.333   76.296
LGA    V    16_B      V    16_A     0.914     0    0.042   1.094     2.757   92.857   82.109
LGA    Q    17_B      Q    17_A     0.323     0    0.021   0.819     5.229   97.619   71.481
LGA    L    18_B      L    18_A     0.258     0    0.044   0.760     1.826  100.000   93.214
LGA    V    19_B      V    19_A     0.297     0    0.043   0.047     0.581  100.000   97.279
LGA    E    20_B      E    20_A     0.258     0    0.068   0.880     2.015  100.000   90.899
LGA    S    21_B      S    21_A     0.413     0    0.043   0.081     0.637  100.000   96.825
LGA    G    22_B      G    22_A     0.670     0    0.040   0.040     0.744   90.476   90.476
LGA    G    23_B      G    23_A     0.453     0    0.067   0.067     0.640   97.619   97.619
LGA    G    24_B      G    24_A     0.313     0    0.029   0.029     0.350  100.000  100.000
LGA    L    25_B      L    25_A     0.648     0    0.052   1.049     4.752   92.857   70.595
LGA    V    26_B      V    26_A     0.819     0    0.128   1.056     2.583   90.476   82.041
LGA    L    27_B      L    27_A     0.359     0    0.097   1.208     2.902   97.619   88.095
LGA    P    28_B      P    28_A     0.518     0    0.649   0.627     2.795   84.524   91.156
LGA    G    29_B      G    29_A     1.155     0    0.063   0.063     1.473   85.952   85.952
LGA    G    30_B      G    30_A     0.780     0    0.028   0.028     0.873   90.476   90.476
LGA    S    31_B      S    31_A     0.438     0    0.063   0.073     0.620   97.619   95.238
LGA    L    32_B      L    32_A     0.373     0    0.020   0.907     3.664   97.619   84.821
LGA    K    33_B      K    33_A     0.399     0    0.027   0.698     2.479   97.619   90.053
LGA    L    34_B      L    34_A     0.377     0    0.042   0.063     0.455  100.000  100.000
LGA    S    35_B      S    35_A     0.380     0    0.041   0.067     0.649  100.000   98.413
LGA    C    36_B      C    36_A     0.308     0    0.024   0.081     0.330  100.000  100.000
LGA    A    37_B      A    37_A     0.416     0    0.070   0.077     0.596  100.000   98.095
LGA    A    38_B      A    38_A     0.217     0    0.079   0.105     0.459  100.000  100.000
LGA    S    39_B      S    39_A     0.405     0    0.031   0.094     0.492  100.000  100.000
LGA    G    40_B      G    40_A     0.491     0    0.076   0.076     0.592   95.238   95.238
LGA    F    41_B      F    41_A     0.499     0    0.031   0.091     0.499  100.000  100.000
LGA    N    42_B      N    42_A     0.336     0    0.035   1.275     4.857   97.619   78.631
LGA    F    43_B      F    43_A     0.295     0    0.037   0.185     0.790  100.000   97.403
LGA    G    44_B      G    44_A     0.635     0    0.023   0.023     0.901   90.476   90.476
LGA    S    45_B      S    45_A     0.983     0    0.146   0.681     1.622   92.857   89.127
LGA    S    46_B      S    46_A     0.866     0    0.112   0.685     3.631   92.857   81.270
LGA    D    47_B      D    47_A     0.352     0    0.052   0.212     0.859   97.619   94.048
LGA    M    48_B      M    48_A     0.030     0    0.046   0.197     0.611  100.000   98.810
LGA    N    49_B      N    49_A     0.155     0    0.027   0.820     2.110  100.000   92.202
LGA    W    50_B      W    50_A     0.314     0    0.036   0.098     0.399  100.000  100.000
LGA    V    51_B      V    51_A     0.386     0    0.086   0.126     0.676   97.619   97.279
LGA    R    52_B      R    52_A     0.243     0    0.047   0.100     0.811  100.000   95.671
LGA    Q    53_B      Q    53_A     0.520     0    0.064   0.227     1.277   92.857   93.704
LGA    A    54_B      A    54_A     0.877     0    0.054   0.100     1.485   85.952   85.048
LGA    A    55_B      A    55_A     1.730     0    0.280   0.392     3.805   73.214   67.238
LGA    G    56_B      G    56_A     0.727     0    0.149   0.149     2.455   79.524   79.524
LGA    K    57_B      K    57_A     0.838     0    0.071   0.546     1.644   90.476   85.503
LGA    G    58_B      G    58_A     1.033     0    0.100   0.100     1.033   88.214   88.214
LGA    P    59_B      P    59_A     0.672     0    0.029   0.159     0.947   90.476   90.476
LGA    E    60_B      E    60_A     0.401     0    0.106   0.312     0.903   97.619   94.709
LGA    W    61_B      W    61_A     0.109     0    0.023   0.064     0.191  100.000  100.000
LGA    V    62_B      V    62_A     0.271     0    0.047   0.098     0.553  100.000   98.639
LGA    A    63_B      A    63_A     0.318     0    0.071   0.087     0.412  100.000  100.000
LGA    S    64_B      S    64_A     0.230     0    0.040   0.074     0.956  100.000   96.825
LGA    I    65_B      I    65_A     0.133     0    0.040   1.139     2.365  100.000   86.786
LGA    E    66_B      E    66_A     0.184     0    0.102   0.793     3.012  100.000   80.159
LGA    R    67_B      R    67_A     0.545     0    0.531   0.898     3.990   82.143   73.117
LGA    G    68_B      G    68_A     2.225     0    0.461   0.461     2.225   66.786   66.786
LGA    A    69_B      A    69_A     3.564     1    0.112   0.112     3.806   50.238   40.190
LGA    G    70_B      G    70_A     2.702     0    0.553   0.553     2.808   62.976   62.976
LGA    G    71_B      G    71_A     0.091     0    0.104   0.104     1.121   92.976   92.976
LGA    T    72_B      T    72_A     0.332     0    0.063   0.114     0.724  100.000   98.639
LGA    D    73_B      D    73_A     0.100     0    0.062   0.194     0.709  100.000   96.429
LGA    Y    74_B      Y    74_A     0.286     0    0.068   0.088     0.340  100.000  100.000
LGA    A    75_B      A    75_A     0.285     0    0.094   0.115     0.393  100.000  100.000
LGA    D    76_B      D    76_A     0.386     0    0.021   0.831     3.585   97.619   80.774
LGA    S    77_B      S    77_A     0.610     0    0.176   0.220     1.232   97.619   92.222
LGA    V    78_B      V    78_A     0.233     0    0.086   1.239     3.037  100.000   87.619
LGA    Q    79_B      Q    79_A     0.182     0    0.044   1.343     5.015  100.000   76.931
LGA    G    80_B      G    80_A     0.179     0    0.158   0.158     1.070   95.357   95.357
LGA    R    81_B      R    81_A     0.242     0    0.042   0.159     0.834   97.619   96.537
LGA    F    82_B      F    82_A     0.469     0    0.068   0.307     1.238   95.238   90.563
LGA    T    83_B      T    83_A     0.457     0    0.022   1.015     2.231   95.238   87.211
LGA    V    84_B      V    84_A     0.418     0    0.050   1.102     2.967  100.000   88.639
LGA    S    85_B      S    85_A     0.487     0    0.044   0.056     0.552  100.000   96.825
LGA    R    86_B      R    86_A     0.291     0    0.029   0.960     2.463  100.000   90.909
LGA    D    87_B      D    87_A     0.217     0    0.062   0.326     1.254  100.000   94.107
LGA    N    88_B      N    88_A     0.292     0    0.043   0.071     0.625   97.619   97.619
LGA    A    89_B      A    89_A     0.652     0    0.097   0.096     0.780   90.476   90.476
LGA    K    90_B      K    90_A     0.403     0    0.060   0.690     2.935   97.619   84.444
LGA    S    91_B      S    91_A     0.536     0    0.037   0.071     0.621   95.238   93.651
LGA    T    92_B      T    92_A     0.292     0    0.015   0.975     2.284  100.000   89.932
LGA    L    93_B      L    93_A     0.329     0    0.068   0.094     0.579   97.619   98.810
LGA    W    94_B      W    94_A     0.630     0    0.036   1.141     4.569   92.857   74.252
LGA    L    95_B      L    95_A     0.603     0    0.013   0.087     0.631   90.476   94.048
LGA    Q    96_B      Q    96_A     0.381     0    0.059   0.201     0.926  100.000   98.942
LGA    M    97_B      M    97_A     0.355     0    0.013   0.072     0.368  100.000  100.000
LGA    N    98_B      N    98_A     0.370     0    0.047   0.421     1.114  100.000   96.488
LGA    S    99_B      S    99_A     0.559     0    0.063   0.067     0.808   95.238   93.651
LGA    L   100_B      L   100_A     0.399     0    0.066   0.649     2.017   97.619   92.083
LGA    K   101_B      K   101_A     0.666     0    0.034   0.559     2.024   95.238   85.714
LGA    A   102_B      A   102_A     0.543     0    0.075   0.086     0.641   90.476   90.476
LGA    E   103_B      E   103_A     0.649     0    0.105   0.652     2.148   95.238   82.910
LGA    D   104_B      D   104_A     0.307     0    0.024   0.101     0.740  100.000   96.429
LGA    T   105_B      T   105_A     0.187     0    0.046   0.096     0.434  100.000  100.000
LGA    A   106_B      A   106_A     0.099     0    0.072   0.088     0.279  100.000  100.000
LGA    V   107_B      V   107_A     0.239     0    0.055   0.999     2.442  100.000   89.932
LGA    Y   108_B      Y   108_A     0.366     0    0.042   0.081     0.636  100.000   96.825
LGA    Y   109_B      Y   109_A     0.589     0    0.112   0.196     1.725   95.238   86.071
LGA    C   110_B      C   110_A     0.478     0    0.124   0.677     1.291  100.000   93.810
LGA    V   111_B      V   111_A     0.948     0    0.180   1.025     3.728   95.238   83.946
LGA    V   112_B      V   112_A     0.863     0    0.182   1.193     4.275   83.810   76.531
LGA    S   113_B      S   113_A     2.747     0    0.057   0.206     4.995   48.214   56.429
LGA    D   114_B      D   114_A     8.492     0    0.139   0.690    13.920    8.690    4.345
LGA    N   115_B      N   115_A    11.442     0    0.686   1.275    14.352    0.000    0.000
LGA    S   116_B      S   116_A    13.818     0    0.711   0.830    14.467    0.000    0.000
LGA    G   117_B      G   117_A    13.450     0    0.688   0.688    13.709    0.000    0.000
LGA    Y   118_B      Y   118_A    13.340     0    0.580   1.309    14.642    0.000    0.000
LGA    Y   119_B      Y   119_A    11.365     0    0.151   0.833    21.484    2.857    0.952
LGA    K   120_B      K   120_A     9.460     0    0.618   1.192    16.334    6.190    2.751
LGA    Y   121_B      Y   121_A     4.152     0    0.607   1.436     6.253   30.714   35.476
LGA    W   122_B      W   122_A     3.233     0    0.013   0.337     3.675   48.333   59.524
LGA    G   123_B      G   123_A     2.486     0    0.093   0.093     2.779   62.857   62.857
LGA    Q   124_B      Q   124_A     1.520     0    0.086   0.133     3.415   79.405   68.042
LGA    G   125_B      G   125_A     0.719     0    0.153   0.153     0.894   90.476   90.476
LGA    T   126_B      T   126_A     0.352     0    0.059   0.129     0.413  100.000  100.000
LGA    Q   127_B      Q   127_A     0.400     0    0.073   0.476     1.707   97.619   90.741
LGA    V   128_B      V   128_A     0.290     0    0.020   0.085     0.471  100.000  100.000
LGA    T   129_B      T   129_A     0.573     0    0.066   0.081     0.990   97.619   94.558
LGA    V   130_B      V   130_A     0.154     0    0.023   0.080     0.678   97.619   97.279
LGA    S   131_B      S   131_A     0.813     0    0.137   0.712     2.850   90.476   83.413
LGA    S   132_B      S   132_A     1.055     0    0.348   0.885     2.952   83.690   78.889

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     880    880  100.00               118
SUMMARY(RMSD_GDC):     2.804          2.736                  3.392           87.736   83.472

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  118  118    4.0    111    0.94    91.949    87.851    10.681

LGA_LOCAL      RMSD:   0.939  Number of atoms:  111  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.010  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.804  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.702716 * X  +  -0.275871 * Y  +  -0.655809 * Z  +  -3.063301
  Y_new =  -0.337723 * X  +   0.940638 * Y  +  -0.033807 * Z  + -44.138443
  Z_new =   0.626206 * X  +   0.197725 * Y  +  -0.754169 * Z  + -15.863409 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.693588 -0.676677  2.885188   [DEG: -154.3312  -38.7707  165.3091 ]
ZXZ: -1.519291  2.425184  1.264953   [DEG:  -87.0490  138.9528   72.4764 ]
 
# END of job
