
#######################################################
#                                                     #
#                        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  113 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  112 , 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:   109       5_A - 113_A       4.89     6.19
  LCS_AVERAGE:     94.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.93     7.76
  LCS_AVERAGE:     15.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.91     8.37
  LCS_AVERAGE:      8.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     P     2_A     P     2_A      4    5    7      0    3    4    4    5    6    6    6    6    6    7    7    7    7   16   17   17   18   18   24 
LCS_GDT     M     3_A     M     3_A      4    5    9      2    3    4    4    5    6    6    6    6   10   15   15   18   20   20   26   28   28   33   34 
LCS_GDT     G     4_A     G     4_A      4    5   17      1    3    4    4    5    6    6    7    8   10   15   15   18   20   24   26   28   34   36   40 
LCS_GDT     L     5_A     L     5_A      4    5  109      3    3    4    4    5    7    8   16   18   21   21   21   28   35   37   40   42   53   74   84 
LCS_GDT     L     6_A     L     6_A      3    8  109      3    3    4    6    6    7    8   10   11   21   21   21   33   41   50   58   69   80   91  100 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    6    7    7    7    8   10   12   18   27   39   54   65   75   84   93  100  105  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    6    7    7    7   10   21   31   42   53   66   91   98  102  104  105  105  105  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    6    7   13   22   35   52   67   78   87   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   12   25   43   60   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      4   12   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     H    12_A     H    12_A     11   24  109      7   19   24   31   40   55   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    13_A     T    13_A     11   24  109      7   13   24   32   45   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    14_A     T    14_A     11   24  109      7   13   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L    15_A     L    15_A     11   24  109      7   13   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     C    16_A     C    16_A     11   24  109      7   13   22   32   45   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     W    17_A     W    17_A     12   24  109      6   13   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      6   13   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     S    19_A     S    19_A     12   24  109      6   13   24   37   46   60   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    20_A     T    20_A     12   24  109      6   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     K    21_A     K    21_A     12   24  109      6   19   24   37   46   56   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L    22_A     L    22_A     12   24  109      6   19   24   37   46   56   71   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     R    23_A     R    23_A     12   24  109      4   15   22   29   36   44   58   65   78   86   89   95   99  102  104  105  105  105  107  107 
LCS_GDT     T    24_A     T    24_A     12   24  109      6   19   24   34   43   55   69   79   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     D    25_A     D    25_A     12   24  109      6   19   24   34   43   55   69   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    26_A     V    26_A     12   24  109      8   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     R    27_A     R    27_A     12   24  109      8   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     K    28_A     K    28_A     12   24  109      8   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     S    29_A     S    29_A     12   24  109      8   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     M    30_A     M    30_A     12   24  109      8   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   24  109      8   15   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      5   11   16   30   45   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    8   16   30   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     N    34_A     N    34_A      7   22  109      5    8   12   25   40   59   69   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    35_A     T    35_A      9   22  109      3    8   16   24   40   54   68   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     A    36_A     A    36_A     13   22  109      4    8   16   29   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      5   10   16   29   44   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     K    38_A     K    38_A     13   20  109      4   10   16   28   44   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     R    39_A     R    39_A     13   20  109      5   10   18   28   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L    40_A     L    40_A     13   20  109      6    7   18   28   35   54   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    41_A     V    41_A     13   20  109      6   10   18   28   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     I    42_A     I    42_A     13   20  109      6   10   18   28   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     R    43_A     R    43_A     13   20  109      6   10   18   29   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L    44_A     L    44_A     13   20  109      6   10   18   29   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G    45_A     G    45_A     13   20  109      3   10   16   28   42   60   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     I    46_A     I    46_A     13   20  109      3   10   16   29   42   60   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   20  109      5   10   16   24   39   58   69   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G    48_A     G    48_A     13   20  109      4   10   14   19   31   46   60   71   81   88   92   97   99  101  104  105  105  105  107  107 
LCS_GDT     P    49_A     P    49_A     13   20  109      4    4   14   17   24   34   46   58   69   75   85   92   98  101  103  105  105  105  107  107 
LCS_GDT     G    50_A     G    50_A      9   20  109      5   10   15   23   33   46   60   71   81   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     F    51_A     F    51_A      5   18  109      4    4   15   31   44   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     Q    52_A     Q    52_A      5   15  109      3    4   12   31   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    5   12   25   45   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    4   17   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   12   28   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      1    5   12   25   36   59   70   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    4    6    8   13   37   46   63   77   86   92   99  102  104  105  105  105  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    5   11   18   26   33   51   66   76   84   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      4    5    8   18   21   29   37   53   74   84   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   10   18   29   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    5   17   26   38   53   66   82   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5   11   26   38   54   72   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5    8   18   40   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      4    8   19   21   25   54   69   77   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    5   10   23   25   37   56   77   88   92   96   99  101  104  105  105  105  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      4   15   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      4   15   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      4   13   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      4   11   19   27   46   59   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   15   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      6   15   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      7   15   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      8   15   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      8   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      7   19   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      7   19   22   34   46   56   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      4   15   22   32   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      5   15   22   28   37   54   65   78   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      7   15   22   32   46   55   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      5   19   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G    81_A     G    81_A      9   22  109      4    8   16   29   43   60   71   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     A    82_A     A    82_A      9   22  109      3   11   22   28   42   58   71   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     A    83_A     A    83_A      6   22  109      3    8   22   29   43   60   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     I    84_A     I    84_A      9   22  109      5   19   22   31   44   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G    85_A     G    85_A      9   22  109      5   11   22   31   44   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     A    86_A     A    86_A      9   22  109      5   14   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L    87_A     L    87_A      9   22  109      5   11   18   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     S    88_A     S    88_A      9   13  109      5   11   18   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     F    89_A     F    89_A      9   13  109      5   11   18   30   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     Y    90_A     Y    90_A      9   13  109      4   11   18   30   45   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     A    91_A     A    91_A      9   13  109      4   11   16   28   43   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     P    92_A     P    92_A      9   13  109      4    6   14   27   39   53   66   75   83   87   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   17   33   47   61   72   80   87   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G    94_A     G    94_A      5   11  109      3    4    7   13   29   41   55   67   79   87   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    6   18   37   54   68   79   87   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    4    5    8   23   38   52   65   77   87   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     N    97_A     N    97_A      4    6  109      3    4    5    8   13   16   29   48   60   78   87   94   99  102  104  105  105  105  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    5    8   13   20   36   51   63   81   88   94   99  102  104  105  105  105  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    4    6   10   14   17   35   44   60   68   77   89   97  101  104  105  105  107  107 
LCS_GDT     Q   100_A     Q   100_A      3    5  109      3    3    7   10   18   33   47   62   72   84   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     P   101_A     P   101_A      3   12  109      3    3    4   10   26   37   54   67   79   87   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G   102_A     G   102_A     10   12  109      4   13   17   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L   103_A     L   103_A     10   12  109      4   13   17   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     E   104_A     E   104_A     10   12  109      7   11   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     I   105_A     I   105_A     10   12  109      7   13   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     P   106_A     P   106_A     10   12  109      6   11   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     L   107_A     L   107_A     10   12  109      5   14   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     Y   108_A     Y   108_A     10   12  109      5   14   24   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G   109_A     G   109_A     10   12  109      5   19   22   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     Y   110_A     Y   110_A     10   12  109      6   15   22   31   44   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G   111_A     G   111_A     10   12  109      6   19   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     G   112_A     G   112_A      8   12  109      6   19   23   37   46   61   72   80   84   88   93   97   99  102  104  105  105  105  107  107 
LCS_GDT     S   113_A     S   113_A      3   12  109      3    3    5    9   19   39   47   68   82   88   93   97   99  102  104  105  105  105  107  107 
LCS_AVERAGE  LCS_A:  39.49  (   8.28   15.21   94.98 )

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      8     19     24     37     46     61     72     80     84     88     93     97     99    102    104    105    105    105    107    107 
GDT PERCENT_AT   7.14  16.96  21.43  33.04  41.07  54.46  64.29  71.43  75.00  78.57  83.04  86.61  88.39  91.07  92.86  93.75  93.75  93.75  95.54  95.54
GDT RMS_LOCAL    0.33   0.71   1.05   1.54   1.75   2.23   2.43   2.64   2.75   2.92   3.19   3.38   3.47   3.79   3.86   3.93   3.93   3.93   4.23   4.23
GDT RMS_ALL_AT   7.89  10.20   8.90   7.61   7.60   6.81   6.90   6.89   6.96   6.99   6.63   6.58   6.62   6.37   6.40   6.42   6.42   6.42   6.31   6.31

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  F    75_A      F    75_A
#   possible swapping detected:  F    89_A      F    89_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    28.847     0    0.276   0.317    30.874    0.000    0.000
LGA    M     3_A      M     3_A    26.059     0    0.195   0.243    28.876    0.000    0.000
LGA    G     4_A      G     4_A    25.525     0    0.037   0.037    25.525    0.000    0.000
LGA    L     5_A      L     5_A    23.437     0    0.691   1.113    25.124    0.000    0.000
LGA    L     6_A      L     6_A    19.606     0    0.306   0.950    24.389    0.000    0.000
LGA    P     7_A      P     7_A    14.374     0    0.329   0.305    19.000    0.000    0.000
LGA    L     8_A      L     8_A    10.348     0    0.015   0.907    11.895    2.500    1.250
LGA    K     9_A      K     9_A     6.428     0    0.068   1.049     7.891   17.976   18.519
LGA    V    10_A      V    10_A     3.138     0    0.021   0.212     4.209   54.167   50.544
LGA    T    11_A      T    11_A     1.361     0    0.036   1.263     3.194   71.429   69.864
LGA    H    12_A      H    12_A     3.583     0    0.656   1.589    10.151   57.500   30.143
LGA    T    13_A      T    13_A     2.918     0    0.162   0.383     4.444   57.262   52.313
LGA    T    14_A      T    14_A     2.144     0    0.056   0.100     3.296   68.810   62.789
LGA    L    15_A      L    15_A     1.502     0    0.076   0.136     2.620   66.905   76.429
LGA    C    16_A      C    16_A     2.999     0    0.021   0.694     4.366   62.857   54.286
LGA    W    17_A      W    17_A     2.214     0    0.053   0.530     3.596   55.595   72.347
LGA    G    18_A      G    18_A     2.607     0    0.024   0.024     2.665   60.952   60.952
LGA    S    19_A      S    19_A     3.183     0    0.024   0.620     3.621   55.476   53.730
LGA    T    20_A      T    20_A     2.425     0    0.055   0.078     3.829   53.810   58.571
LGA    K    21_A      K    21_A     3.460     0    0.083   0.915     4.942   51.786   42.381
LGA    L    22_A      L    22_A     3.806     0    0.059   0.110     5.133   36.071   40.655
LGA    R    23_A      R    23_A     5.800     0    0.055   1.325     7.782   24.048   19.177
LGA    T    24_A      T    24_A     4.278     0    0.123   0.752     4.519   40.476   39.932
LGA    D    25_A      D    25_A     3.841     0    0.041   1.196     7.793   45.119   31.905
LGA    V    26_A      V    26_A     1.964     0    0.051   1.202     3.309   66.786   66.190
LGA    R    27_A      R    27_A     2.249     0    0.061   0.462     7.303   68.810   43.333
LGA    K    28_A      K    28_A     1.946     0    0.033   1.263     3.151   66.786   65.079
LGA    S    29_A      S    29_A     2.152     0    0.029   0.206     2.348   64.762   66.111
LGA    M    30_A      M    30_A     2.172     0    0.029   1.105     7.397   64.762   51.548
LGA    Q    31_A      Q    31_A     2.022     0    0.065   1.050     3.903   68.810   57.672
LGA    V    32_A      V    32_A     1.913     0    0.045   1.058     3.524   77.143   69.932
LGA    K    33_A      K    33_A     2.670     0    0.039   1.258     6.820   50.357   36.190
LGA    N    34_A      N    34_A     4.085     0    0.084   0.440     8.259   58.690   38.690
LGA    T    35_A      T    35_A     4.032     0    0.519   0.436     6.921   45.357   32.789
LGA    A    36_A      A    36_A     2.679     0    0.018   0.030     3.381   61.190   60.381
LGA    D    37_A      D    37_A     1.446     0    0.087   0.918     6.020   72.976   56.310
LGA    K    38_A      K    38_A     2.883     0    0.012   0.562     7.400   62.976   44.021
LGA    R    39_A      R    39_A     3.170     0    0.160   0.913     9.761   51.786   27.922
LGA    L    40_A      L    40_A     3.591     0    0.054   0.899     6.709   48.333   36.429
LGA    V    41_A      V    41_A     3.127     0    0.065   0.069     3.276   51.786   53.061
LGA    I    42_A      I    42_A     2.927     0    0.026   1.245     7.071   53.571   46.548
LGA    R    43_A      R    43_A     2.784     0    0.067   0.862     3.231   57.143   63.810
LGA    L    44_A      L    44_A     2.777     0    0.029   0.674     5.198   55.357   48.095
LGA    G    45_A      G    45_A     3.093     0    0.063   0.063     3.093   55.357   55.357
LGA    I    46_A      I    46_A     3.056     0    0.064   1.215     5.008   48.333   44.762
LGA    Q    47_A      Q    47_A     4.086     0    0.061   1.356     9.391   37.262   26.508
LGA    G    48_A      G    48_A     5.923     0    0.248   0.248     6.273   22.738   22.738
LGA    P    49_A      P    49_A     8.485     0    0.018   0.044    11.014    6.548    3.810
LGA    G    50_A      G    50_A     5.819     0    0.278   0.278     6.768   27.262   27.262
LGA    F    51_A      F    51_A     2.524     0    0.011   1.195     7.946   72.738   43.333
LGA    Q    52_A      Q    52_A     2.095     0    0.184   1.038    10.046   82.024   44.339
LGA    L    53_A      L    53_A     2.509     0    0.320   0.589     3.748   57.500   51.250
LGA    V    54_A      V    54_A     2.087     0    0.086   1.032     3.842   68.810   58.844
LGA    G    55_A      G    55_A     2.049     0    0.668   0.668     2.049   70.833   70.833
LGA    T    56_A      T    56_A     4.148     0    0.383   0.970     7.487   29.643   25.170
LGA    D    57_A      D    57_A     8.059     0    0.598   1.223    10.485   10.476    5.476
LGA    S    58_A      S    58_A     6.753     0    0.049   0.670     7.207   11.667   11.667
LGA    S    59_A      S    59_A     7.347     0    0.289   0.448     8.430   13.690   10.714
LGA    T    60_A      T    60_A     3.020     0    0.629   1.286     5.521   37.976   52.993
LGA    I    61_A      I    61_A     4.712     0    0.142   0.151     7.088   38.810   28.155
LGA    T    62_A      T    62_A     4.402     0    0.204   0.255     4.790   34.286   34.694
LGA    L    63_A      L    63_A     3.346     0    0.218   0.904     4.662   50.119   43.690
LGA    Q    64_A      Q    64_A     4.503     0    0.055   1.178     7.125   42.143   32.328
LGA    A    65_A      A    65_A     5.850     0    0.634   0.588     7.441   24.048   21.238
LGA    M    66_A      M    66_A     2.450     0    0.167   1.150     6.737   59.048   48.333
LGA    E    67_A      E    67_A     2.952     0    0.221   1.023     3.744   63.214   56.825
LGA    C    68_A      C    68_A     3.383     0    0.034   0.740     7.400   42.024   35.873
LGA    R    69_A      R    69_A     3.402     0    0.065   1.577     8.122   59.286   36.104
LGA    S    70_A      S    70_A     2.538     0    0.010   0.115     3.193   57.262   57.222
LGA    V    71_A      V    71_A     2.251     0    0.082   1.030     4.275   66.786   65.646
LGA    V    72_A      V    72_A     1.901     0    0.035   0.081     2.330   66.786   70.612
LGA    I    73_A      I    73_A     2.310     0    0.035   0.149     2.540   64.762   63.810
LGA    N    74_A      N    74_A     2.410     0    0.075   0.916     3.256   59.167   61.071
LGA    F    75_A      F    75_A     2.514     0    0.046   0.849     2.628   60.952   68.701
LGA    C    76_A      C    76_A     3.172     0    0.147   0.814     4.147   48.571   53.175
LGA    P    77_A      P    77_A     2.634     0    0.106   0.119     3.184   55.476   64.150
LGA    T    78_A      T    78_A     4.544     0    0.104   0.151     5.798   34.524   30.272
LGA    V    79_A      V    79_A     3.573     0    0.014   1.151     6.671   56.071   44.626
LGA    C    80_A      C    80_A     0.836     0    0.137   0.860     3.611   83.810   75.238
LGA    G    81_A      G    81_A     3.575     0    0.066   0.066     3.575   55.714   55.714
LGA    A    82_A      A    82_A     3.881     0    0.270   0.315     4.564   45.119   42.381
LGA    A    83_A      A    83_A     3.089     0    0.020   0.025     3.707   51.786   50.095
LGA    I    84_A      I    84_A     2.680     0    0.058   1.105     3.834   62.857   55.655
LGA    G    85_A      G    85_A     2.423     0    0.010   0.010     2.643   66.905   66.905
LGA    A    86_A      A    86_A     1.050     0    0.000   0.015     1.638   81.548   83.333
LGA    L    87_A      L    87_A     1.445     0    0.094   0.131     2.760   77.143   71.012
LGA    S    88_A      S    88_A     1.601     0    0.042   0.081     1.881   72.857   72.857
LGA    F    89_A      F    89_A     2.224     0    0.133   0.572     5.066   62.857   50.346
LGA    Y    90_A      Y    90_A     1.906     0    0.011   1.269    10.966   66.905   37.579
LGA    A    91_A      A    91_A     3.071     0    0.021   0.050     3.466   53.690   52.952
LGA    P    92_A      P    92_A     5.140     0    0.038   0.059     6.196   30.238   26.667
LGA    P    93_A      P    93_A     6.469     0    0.607   0.578     8.651   16.190   12.109
LGA    G    94_A      G    94_A     7.871     0    0.674   0.674     7.871   13.452   13.452
LGA    A    95_A      A    95_A     7.065     0    0.523   0.546     9.739    6.190    5.524
LGA    H    96_A      H    96_A     7.817     0    0.012   0.677    12.835   10.595    5.381
LGA    N    97_A      N    97_A    11.039     0    0.409   1.189    12.698    0.000    0.000
LGA    S    98_A      S    98_A    11.052     0    0.652   0.783    13.095    0.000    0.000
LGA    N    99_A      N    99_A    14.439     0    0.538   0.958    19.841    0.000    0.000
LGA    Q   100_A      Q   100_A     8.785     0    0.358   1.288    10.642    4.286    2.646
LGA    P   101_A      P   101_A     6.149     0    0.237   0.288     8.445   33.571   21.973
LGA    G   102_A      G   102_A     2.407     0    0.394   0.394     4.716   52.738   52.738
LGA    L   103_A      L   103_A     2.191     0    0.041   1.329     6.290   72.976   58.333
LGA    E   104_A      E   104_A     1.306     0    0.032   0.180     1.938   77.143   78.571
LGA    I   105_A      I   105_A     0.626     0    0.079   0.615     2.270   90.476   87.262
LGA    P   106_A      P   106_A     0.788     0    0.101   0.411     2.320   92.857   86.871
LGA    L   107_A      L   107_A     0.310     0    0.195   1.290     3.436   95.357   84.524
LGA    Y   108_A      Y   108_A     0.478     0    0.031   1.387     9.566   95.238   56.706
LGA    G   109_A      G   109_A     0.694     0    0.191   0.191     2.677   79.881   79.881
LGA    Y   110_A      Y   110_A     1.794     0    0.215   1.116    10.111   81.548   42.183
LGA    G   111_A      G   111_A     0.844     0    0.115   0.115     1.611   86.190   86.190
LGA    G   112_A      G   112_A     2.178     0    0.128   0.128     4.357   57.976   57.976
LGA    S   113_A      S   113_A     5.221     0    0.074   0.664     8.604   40.833   28.889

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     6.102          5.993                  6.531           48.975   43.513

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.64    53.795    47.177     2.917

LGA_LOCAL      RMSD:   2.642  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.892  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.102  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.001371 * X  +  -0.055562 * Y  +   0.998454 * Z  +  -0.327527
  Y_new =  -0.544016 * X  +   0.837820 * Y  +   0.045876 * Z  + -10.841326
  Z_new =  -0.839074 * X  +  -0.543112 * Y  +  -0.031375 * Z  + -39.532818 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.573316  0.995579 -1.628501   [DEG:  -90.1444   57.0425  -93.3062 ]
ZXZ:  1.616711  1.602176 -2.145254   [DEG:   92.6307   91.7979 -122.9140 ]
 
# END of job
