
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      10_A - 132_A       2.64     2.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      12_A - 132_A       1.85     2.68
  LCS_AVERAGE:     96.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      60_A - 132_A       0.97     2.77
  LCS_AVERAGE:     44.74

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      3    5  123      3    3    3    4    5    5    5    6    6    6   14   16   17   19   20   21   22   45   49   61 
LCS_GDT     S    11_A     S    11_A      3    6  123      3    3    4    4    5    5    6   14   18   23   44   49   69   81  108  119  121  122  122  122 
LCS_GDT     S    12_A     S    12_A      5  121  123      3    5    5    7   10   15   42   61  103  115  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    13_A     G    13_A      7  121  123      4    5    6    8   10   11   16   28   68  112  113  119  121  121  121  121  121  122  122  122 
LCS_GDT     L    14_A     L    14_A      7  121  123      4    5    6    8   10   11   16  111  114  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     V    15_A     V    15_A      7  121  123      4    5    6    8   11   36  111  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     P    16_A     P    16_A      7  121  123      4   19   31   69  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     R    17_A     R    17_A      7  121  123      7   19   31   96  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    18_A     G    18_A      7  121  123      3    5   25   64   98  109  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     S    19_A     S    19_A      7  121  123      3   18   70   96  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     H    20_A     H    20_A     28  121  123      3    5    8   45  106  110  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     M    21_A     M    21_A     28  121  123      3   11   80  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Q    22_A     Q    22_A     29  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E    23_A     E    23_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E    24_A     E    24_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E    25_A     E    25_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     F    26_A     F    26_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     H    27_A     H    27_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     K    28_A     K    28_A     29  121  123     41   80   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    29_A     L    29_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     A    30_A     A    30_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N    31_A     N    31_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     F    32_A     F    32_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     T    33_A     T    33_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     I    34_A     I    34_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N    35_A     N    35_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     H    36_A     H    36_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    37_A     L    37_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    38_A     L    38_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E    39_A     E    39_A     29  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     K    40_A     K    40_A     29  121  123     26   78   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     I    41_A     I    41_A     29  121  123     21   67   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E    42_A     E    42_A     29  121  123     18   79   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D    43_A     D    43_A     29  121  123     19   79   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Y    44_A     Y    44_A     29  121  123      4   30   92  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    45_A     G    45_A     29  121  123      4   25   73  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D    46_A     D    46_A     29  121  123      4   30   93  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N    47_A     N    47_A     29  121  123     11   38   88  101  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     V    48_A     V    48_A     29  121  123      3   16   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Q    49_A     Q    49_A     29  121  123      4    4    8   96  106  110  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     I    50_A     I    50_A     49  121  123      4   62   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D    51_A     D    51_A     49  121  123      4    5    8   91  102  110  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    52_A     G    52_A     49  121  123      5   28   86  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     F    53_A     F    53_A     49  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D    54_A     D    54_A     49  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     I    55_A     I    55_A     49  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D    56_A     D    56_A     49  121  123     42   80   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Y    57_A     Y    57_A     49  121  123     33   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    58_A     G    58_A     49  121  123      6   38   84  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N    59_A     N    59_A     70  121  123      6    8   61   98  107  110  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E    60_A     E    60_A     73  121  123     11   39   70  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     V    61_A     V    61_A     73  121  123     29   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    62_A     L    62_A     73  121  123     39   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     T    63_A     T    63_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    64_A     L    64_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     K    65_A     K    65_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    66_A     L    66_A     73  121  123     34   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    67_A     G    67_A     73  121  123     31   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     S    68_A     S    68_A     73  121  123     31   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    69_A     L    69_A     73  121  123     31   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    70_A     G    70_A     73  121  123     34   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     T    71_A     T    71_A     73  121  123     39   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Y    72_A     Y    72_A     73  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     V    73_A     V    73_A     73  121  123     34   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L    74_A     L    74_A     73  121  123     26   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N    75_A     N    75_A     73  121  123     26   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     K    76_A     K    76_A     73  121  123     26   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Q    77_A     Q    77_A     73  121  123     17   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     T    78_A     T    78_A     73  121  123     35   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     P    79_A     P    79_A     73  121  123     33   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N    80_A     N    80_A     73  121  123     32   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     R    81_A     R    81_A     73  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Q    82_A     Q    82_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     I    83_A     I    83_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     W    84_A     W    84_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     M    85_A     M    85_A     73  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     S    86_A     S    86_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     S    87_A     S    87_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     P    88_A     P    88_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     V    89_A     V    89_A     73  121  123     42   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     S    90_A     S    90_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G    91_A     G    91_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     P    92_A     P    92_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     S    93_A     S    93_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     R    94_A     R    94_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     F    95_A     F    95_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D    96_A     D    96_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     W    97_A     W    97_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D    98_A     D    98_A     73  121  123     41   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     R    99_A     R    99_A     73  121  123      8   76   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     D   100_A     D   100_A     73  121  123      4    8   45   78   99  109  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     A   101_A     A   101_A     73  121  123     10   22   52   99  106  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N   102_A     N   102_A     73  121  123      5   57   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     A   103_A     A   103_A     73  121  123     15   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     W   104_A     W   104_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     I   105_A     I   105_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Y   106_A     Y   106_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     R   107_A     R   107_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     R   108_A     R   108_A     73  121  123     30   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     T   109_A     T   109_A     73  121  123     16   78   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E   110_A     E   110_A     73  121  123     16   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     A   111_A     A   111_A     73  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     K   112_A     K   112_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L   113_A     L   113_A     73  121  123     38   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     H   114_A     H   114_A     73  121  123     41   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     K   115_A     K   115_A     73  121  123     29   80   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L   116_A     L   116_A     73  121  123     41   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L   117_A     L   117_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E   118_A     E   118_A     73  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E   119_A     E   119_A     73  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E   120_A     E   120_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L   121_A     L   121_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E   122_A     E   122_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     N   123_A     N   123_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L   124_A     L   124_A     73  121  123     45   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     C   125_A     C   125_A     73  121  123     41   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     G   126_A     G   126_A     73  121  123     43   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     E   127_A     E   127_A     73  121  123     32   81   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     P   128_A     P   128_A     73  121  123      5   61   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     I   129_A     I   129_A     73  121  123     17   41   89  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     Q   130_A     Q   130_A     73  121  123      3   41   84  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     L   131_A     L   131_A     73  121  123      8   72   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_GDT     S   132_A     S   132_A     73  121  123     26   73   94  102  107  111  116  117  118  118  119  120  121  121  121  121  121  122  122  122 
LCS_AVERAGE  LCS_A:  80.53  (  44.74   96.85  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     45     81     94    102    107    111    116    117    118    118    119    120    121    121    121    121    121    122    122    122 
GDT PERCENT_AT  36.59  65.85  76.42  82.93  86.99  90.24  94.31  95.12  95.93  95.93  96.75  97.56  98.37  98.37  98.37  98.37  98.37  99.19  99.19  99.19
GDT RMS_LOCAL    0.34   0.58   0.72   0.87   1.02   1.16   1.34   1.38   1.44   1.44   1.56   1.71   1.85   1.85   1.85   1.85   1.85   2.17   2.17   2.17
GDT RMS_ALL_AT   2.70   2.72   2.70   2.70   2.71   2.71   2.71   2.72   2.71   2.71   2.71   2.68   2.68   2.68   2.68   2.68   2.68   2.65   2.65   2.65

# Checking swapping
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    17.488     0    0.604   0.446    21.412    0.000    0.000
LGA    S    11_A      S    11_A    13.127     0    0.680   0.621    14.340    0.000    0.000
LGA    S    12_A      S    12_A     8.211     0    0.046   0.699    10.264    2.024    4.206
LGA    G    13_A      G    13_A     8.456     0    0.284   0.284     8.456    8.810    8.810
LGA    L    14_A      L    14_A     6.775     3    0.070   0.107     7.516   17.024    9.762
LGA    V    15_A      V    15_A     4.556     0    0.036   1.085     6.227   34.524   35.918
LGA    P    16_A      P    16_A     3.213     0    0.060   0.108     3.548   48.333   49.048
LGA    R    17_A      R    17_A     3.133     6    0.059   0.056     3.632   48.333   22.121
LGA    G    18_A      G    18_A     3.801     0    0.672   0.672     3.801   46.667   46.667
LGA    S    19_A      S    19_A     3.073     0    0.393   0.832     4.248   46.786   47.937
LGA    H    20_A      H    20_A     3.344     5    0.053   0.057     4.546   63.095   28.381
LGA    M    21_A      M    21_A     2.051     0    0.084   0.957     4.202   67.024   57.798
LGA    Q    22_A      Q    22_A     0.763     0    0.087   0.613     4.219   92.857   67.989
LGA    E    23_A      E    23_A     0.642     0    0.060   0.168     0.839   90.476   90.476
LGA    E    24_A      E    24_A     0.388     4    0.032   0.045     0.427  100.000   55.556
LGA    E    25_A      E    25_A     0.208     0    0.070   0.582     1.489  100.000   95.873
LGA    F    26_A      F    26_A     0.227     0    0.063   0.129     0.464  100.000  100.000
LGA    H    27_A      H    27_A     0.598     0    0.044   1.045     2.395   92.857   84.429
LGA    K    28_A      K    28_A     0.669     0    0.041   1.314     5.378   95.238   72.434
LGA    L    29_A      L    29_A     0.292     0    0.029   0.193     1.379  100.000   96.488
LGA    A    30_A      A    30_A     0.177     0    0.027   0.037     0.300  100.000  100.000
LGA    N    31_A      N    31_A     0.275     0    0.056   0.923     3.473  100.000   86.964
LGA    F    32_A      F    32_A     0.197     0    0.030   0.976     5.388  100.000   69.264
LGA    T    33_A      T    33_A     0.140     0    0.030   0.987     2.259  100.000   89.932
LGA    I    34_A      I    34_A     0.187     0    0.020   1.186     2.673  100.000   85.833
LGA    N    35_A      N    35_A     0.313     0    0.032   0.732     1.733  100.000   94.286
LGA    H    36_A      H    36_A     0.337     0    0.031   0.202     1.120  100.000   94.381
LGA    L    37_A      L    37_A     0.317     0    0.035   0.187     0.766  100.000   97.619
LGA    L    38_A      L    38_A     0.536     0    0.029   1.285     2.904   92.857   85.476
LGA    E    39_A      E    39_A     0.572     0    0.032   1.073     4.172   92.857   78.254
LGA    K    40_A      K    40_A     1.066     0    0.096   0.805     4.138   83.690   65.344
LGA    I    41_A      I    41_A     1.367     0    0.084   1.367     3.851   81.429   66.905
LGA    E    42_A      E    42_A     1.225     0    0.022   0.392     2.141   81.429   79.577
LGA    D    43_A      D    43_A     1.211     0    0.030   0.231     1.620   77.143   81.548
LGA    Y    44_A      Y    44_A     2.063     0    0.045   0.959     5.265   66.786   58.333
LGA    G    45_A      G    45_A     2.373     0    0.116   0.116     2.373   68.810   68.810
LGA    D    46_A      D    46_A     1.822     0    0.542   0.417     4.226   79.405   63.988
LGA    N    47_A      N    47_A     2.692     0    0.653   1.212     5.945   52.143   45.060
LGA    V    48_A      V    48_A     1.928     0    0.685   1.478     4.372   61.905   62.857
LGA    Q    49_A      Q    49_A     3.160     0    0.270   1.691     6.325   63.095   44.074
LGA    I    50_A      I    50_A     1.739     0    0.122   1.460     6.402   81.548   59.345
LGA    D    51_A      D    51_A     3.427     0    0.202   0.876     8.209   53.571   34.464
LGA    G    52_A      G    52_A     1.995     0    0.176   0.176     2.603   71.071   71.071
LGA    F    53_A      F    53_A     0.539     0    0.075   0.166     1.648   92.857   88.139
LGA    D    54_A      D    54_A     0.442     0    0.111   0.516     1.886   97.619   91.845
LGA    I    55_A      I    55_A     0.625     0    0.053   0.680     3.003   88.214   80.952
LGA    D    56_A      D    56_A     0.958     0    0.115   0.516     2.277   95.238   83.036
LGA    Y    57_A      Y    57_A     0.981     0    0.033   0.175     3.581   84.048   69.048
LGA    G    58_A      G    58_A     2.596     0    0.085   0.085     2.848   61.071   61.071
LGA    N    59_A      N    59_A     3.427     0    0.029   1.086     5.949   50.000   44.881
LGA    E    60_A      E    60_A     2.844     0    0.024   1.253     5.526   59.167   47.407
LGA    V    61_A      V    61_A     1.303     0    0.064   1.141     3.165   79.286   73.333
LGA    L    62_A      L    62_A     0.696     0    0.032   0.108     0.982   90.476   90.476
LGA    T    63_A      T    63_A     0.491     0    0.040   0.175     1.183  100.000   94.626
LGA    L    64_A      L    64_A     0.236     0    0.048   1.344     3.949  100.000   80.476
LGA    K    65_A      K    65_A     0.372     0    0.033   0.544     1.741  100.000   93.810
LGA    L    66_A      L    66_A     0.864     0    0.372   0.308     2.533   79.881   84.048
LGA    G    67_A      G    67_A     0.923     0    0.085   0.085     0.941   90.476   90.476
LGA    S    68_A      S    68_A     0.973     0    0.111   0.701     3.095   85.952   79.206
LGA    L    69_A      L    69_A     1.004     0    0.060   0.150     1.249   88.214   85.952
LGA    G    70_A      G    70_A     0.706     0    0.045   0.045     0.872   90.476   90.476
LGA    T    71_A      T    71_A     0.681     0    0.092   0.118     0.988   90.476   90.476
LGA    Y    72_A      Y    72_A     0.607     0    0.046   0.095     0.943   90.476   92.063
LGA    V    73_A      V    73_A     0.763     0    0.045   0.063     1.090   90.476   89.184
LGA    L    74_A      L    74_A     1.167     0    0.052   0.136     1.611   79.286   81.488
LGA    N    75_A      N    75_A     1.187     0    0.026   1.123     2.660   81.429   76.310
LGA    K    76_A      K    76_A     1.123     0    0.087   0.814     3.008   81.429   72.540
LGA    Q    77_A      Q    77_A     1.165     0    0.054   1.178     4.470   81.429   75.661
LGA    T    78_A      T    78_A     0.793     0    0.033   0.056     0.913   90.476   90.476
LGA    P    79_A      P    79_A     0.780     0    0.044   0.106     1.025   90.476   89.184
LGA    N    80_A      N    80_A     0.653     0    0.095   0.263     1.305   95.238   91.726
LGA    R    81_A      R    81_A     0.514     0    0.047   0.815     1.999   95.238   89.913
LGA    Q    82_A      Q    82_A     0.570     0    0.066   0.200     0.757   90.476   92.593
LGA    I    83_A      I    83_A     0.580     0    0.046   0.574     1.769   90.476   89.464
LGA    W    84_A      W    84_A     0.599     0    0.044   0.059     0.904   90.476   92.517
LGA    M    85_A      M    85_A     0.710     0    0.042   0.308     1.157   92.857   90.536
LGA    S    86_A      S    86_A     0.596     0    0.047   0.076     0.755   90.476   90.476
LGA    S    87_A      S    87_A     0.607     0    0.033   0.063     0.666   95.238   93.651
LGA    P    88_A      P    88_A     0.229     0    0.119   0.321     0.804   97.619   95.918
LGA    V    89_A      V    89_A     0.547     0    0.051   1.147     2.488   92.857   84.490
LGA    S    90_A      S    90_A     0.179     0    0.149   0.633     1.858   97.619   93.889
LGA    G    91_A      G    91_A     0.245     0    0.130   0.130     0.606   97.619   97.619
LGA    P    92_A      P    92_A     0.369     0    0.021   0.233     1.538  100.000   92.109
LGA    S    93_A      S    93_A     0.208     0    0.042   0.587     2.421   97.619   92.540
LGA    R    94_A      R    94_A     0.232     0    0.032   0.316     1.352  100.000   92.381
LGA    F    95_A      F    95_A     0.381     0    0.038   0.117     0.657  100.000   96.537
LGA    D    96_A      D    96_A     0.521     0    0.024   0.144     0.580   97.619   96.429
LGA    W    97_A      W    97_A     0.463     0    0.036   0.093     1.153   95.238   90.544
LGA    D    98_A      D    98_A     0.583     0    0.580   1.046     3.747   78.810   71.310
LGA    R    99_A      R    99_A     1.159     0    0.500   1.150     9.397   75.476   50.736
LGA    D   100_A      D   100_A     3.782     0    0.106   0.974     4.722   43.810   44.643
LGA    A   101_A      A   101_A     2.682     0    0.695   0.624     3.880   55.595   55.905
LGA    N   102_A      N   102_A     1.453     0    0.325   1.035     4.392   86.190   67.381
LGA    A   103_A      A   103_A     0.771     0    0.024   0.034     1.141   88.214   88.667
LGA    W   104_A      W   104_A     0.222     0    0.041   0.177     0.659  100.000   97.959
LGA    I   105_A      I   105_A     0.508     0    0.066   0.661     3.205   92.857   85.476
LGA    Y   106_A      Y   106_A     0.564     0    0.087   0.477     2.198   90.476   86.230
LGA    R   107_A      R   107_A     0.438     0    0.099   1.559     9.802   92.976   55.541
LGA    R   108_A      R   108_A     1.300     0    0.083   0.971     5.746   77.381   63.939
LGA    T   109_A      T   109_A     1.655     0    0.696   1.373     3.967   69.286   61.224
LGA    E   110_A      E   110_A     1.406     0    0.203   0.986     4.170   77.262   62.487
LGA    A   111_A      A   111_A     0.759     0    0.033   0.056     0.977   95.238   94.286
LGA    K   112_A      K   112_A     0.372     0    0.064   0.765     2.369  100.000   87.884
LGA    L   113_A      L   113_A     0.634     0    0.041   0.111     1.181   90.476   89.345
LGA    H   114_A      H   114_A     0.646     0    0.030   1.359     5.383   90.476   66.429
LGA    K   115_A      K   115_A     0.839     0    0.067   1.366     8.684   90.476   60.106
LGA    L   116_A      L   116_A     0.638     0    0.030   0.152     1.506   92.857   88.333
LGA    L   117_A      L   117_A     0.388     0    0.049   0.245     0.850   95.238   94.048
LGA    E   118_A      E   118_A     0.566     0    0.045   0.689     4.564   92.857   73.069
LGA    E   119_A      E   119_A     0.547     0    0.041   1.115     3.292   95.238   77.831
LGA    E   120_A      E   120_A     0.304     0    0.039   0.116     0.544  100.000   98.942
LGA    L   121_A      L   121_A     0.280     0    0.048   0.135     0.721  100.000   96.429
LGA    E   122_A      E   122_A     0.353     0    0.042   0.552     3.364  100.000   81.852
LGA    N   123_A      N   123_A     0.451     0    0.080   0.290     1.465   92.976   90.595
LGA    L   124_A      L   124_A     0.264     0    0.043   0.208     0.589  100.000   98.810
LGA    C   125_A      C   125_A     0.623     0    0.142   0.148     1.761   97.619   90.794
LGA    G   126_A      G   126_A     0.566     0    0.166   0.166     1.232   90.595   90.595
LGA    E   127_A      E   127_A     0.906     0    0.079   1.058     3.268   83.810   72.804
LGA    P   128_A      P   128_A     1.583     0    0.132   0.368     2.385   75.000   72.925
LGA    I   129_A      I   129_A     1.875     0    0.058   0.167     2.508   70.833   66.845
LGA    Q   130_A      Q   130_A     2.211     0    0.062   0.251     2.787   66.786   61.429
LGA    L   131_A      L   131_A     1.472     0    0.062   0.912     3.219   77.143   73.274
LGA    S   132_A      S   132_A     1.593     0    0.470   0.692     2.377   70.833   72.937

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     2.645          2.590                  3.038           81.985   74.783

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    117    1.38    85.569    90.747     7.885

LGA_LOCAL      RMSD:   1.384  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.717  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   2.645  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.601572 * X  +   0.339178 * Y  +   0.723235 * Z  + -16.793430
  Y_new =   0.020649 * X  +   0.911681 * Y  +  -0.410379 * Z  + -21.540361
  Z_new =  -0.798551 * X  +  -0.231938 * Y  +  -0.555446 * Z  +  10.059075 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.107281  0.924885 -2.746031   [DEG:  178.0341   52.9920 -157.3360 ]
ZXZ:  1.054677  2.159696 -1.853468   [DEG:   60.4285  123.7414 -106.1959 ]
 
# END of job
