
#######################################################
#                                                     #
#                        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       4.90     6.16
  LCS_AVERAGE:     94.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.98     7.67
  LCS_AVERAGE:     15.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.87     8.33
  LCS_AVERAGE:      8.24

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    8   17   18   20   21   25 
LCS_GDT     M     3_A     M     3_A      4    5    9      2    3    4    4    5    6    6    6    9   13   14   16   18   19   23   27   28   29   36   39 
LCS_GDT     G     4_A     G     4_A      4    5   17      1    3    4    4    5    6    6    7    9   13   15   16   20   23   25   27   28   31   36   39 
LCS_GDT     L     5_A     L     5_A      4    5  109      3    3    4    4    5    7    8   17   18   21   21   28   32   33   35   38   41   53   80   85 
LCS_GDT     L     6_A     L     6_A      3    8  109      3    3    4    5    6    7    8   10   13   21   21   21   32   41   51   60   71   79   90   99 
LCS_GDT     P     7_A     P     7_A      7    8  109      5    6    7    7    8    8   10   12   16   29   40   55   63   74   83   89  102  105  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      5    6    7    7    8    9   18   31   39   54   62   79   97  101  103  105  105  105  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      5    6    7    9   21   32   44   66   76   86   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      5    6   12   25   40   59   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      5   14   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     H    12_A     H    12_A     10   24  109      7   18   23   31   41   58   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    13_A     T    13_A     10   24  109      7   11   22   31   44   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    14_A     T    14_A     10   24  109      7   10   22   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L    15_A     L    15_A     10   24  109      7   10   22   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     C    16_A     C    16_A     10   24  109      7    9   16   31   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     W    17_A     W    17_A     10   24  109      5    9   22   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G    18_A     G    18_A     11   24  109      4   10   21   31   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     S    19_A     S    19_A     13   24  109      4   12   22   35   45   60   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    20_A     T    20_A     13   24  109      4   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     K    21_A     K    21_A     13   24  109      6   18   23   35   45   58   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L    22_A     L    22_A     13   24  109      6   18   23   34   45   58   71   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     R    23_A     R    23_A     13   24  109      4   15   23   27   35   44   59   68   82   87   90   95   99  101  103  105  105  105  107  107 
LCS_GDT     T    24_A     T    24_A     13   24  109      6   18   23   31   42   58   68   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     D    25_A     D    25_A     13   24  109      6   18   23   30   43   58   71   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    26_A     V    26_A     13   24  109      6   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     R    27_A     R    27_A     13   24  109      6   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     K    28_A     K    28_A     13   24  109      6   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     S    29_A     S    29_A     13   24  109      6   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     M    30_A     M    30_A     13   24  109      6   16   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     Q    31_A     Q    31_A     13   24  109      6   15   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    32_A     V    32_A      9   24  109      5   11   16   30   43   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    9   16   30   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     N    34_A     N    34_A      7   22  109      5    9   13   24   40   58   69   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    35_A     T    35_A      6   22  109      3    7   16   26   38   54   70   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     A    36_A     A    36_A     13   22  109      4    8   16   29   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     D    37_A     D    37_A     13   22  109      7   10   16   29   43   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      4   10   16   27   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     R    39_A     R    39_A     13   19  109      5   10   17   26   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L    40_A     L    40_A     13   19  109      6    9   17   25   35   55   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    41_A     V    41_A     13   19  109      6   10   17   26   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     I    42_A     I    42_A     13   19  109      6   10   17   26   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     R    43_A     R    43_A     13   19  109      6   10   17   28   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L    44_A     L    44_A     13   19  109      6    9   17   28   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G    45_A     G    45_A     13   19  109      4   10   15   28   41   60   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     I    46_A     I    46_A     13   19  109      4   10   16   28   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   19  109      5   10   15   25   40   58   70   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G    48_A     G    48_A     13   19  109      4    9   15   18   31   47   58   71   83   88   90   97   99  101  103  105  105  105  107  107 
LCS_GDT     P    49_A     P    49_A      8   19  109      4    4   12   18   23   33   45   58   69   74   85   91   98  101  103  105  105  105  107  107 
LCS_GDT     G    50_A     G    50_A      8   19  109      4   10   15   21   34   48   59   71   82   88   93   97   99  101  103  105  105  105  107  107 
LCS_GDT     F    51_A     F    51_A      5   18  109      4    4   15   30   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     Q    52_A     Q    52_A      5   15  109      3    4   13   30   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    4   12   26   43   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    9   16   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    4   12   27   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      1    4   12   24   38   58   70   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    4    6    9   16   37   45   63   75   86   92   99  101  103  105  105  105  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    7   10   19   26   35   54   66   76   86   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      4    5    9   17   20   28   37   54   75   84   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   10   17   28   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    4    5   16   23   34   52   65   82   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5   11   23   37   54   72   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5    8   17   43   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      4   11   19   22   26   55   69   77   84   88   93   97   99  101  103  105  105  105  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    5    8   23   25   37   58   79   87   90   97   99  101  103  105  105  105  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      3   13   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      4   14   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      4   13   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      4   11   19   28   45   60   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   14   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      6   14   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      6   15   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      6   15   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      6   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      6   18   23   33   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      6   18   23   33   45   58   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      6   16   23   32   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      4   15   23   28   43   53   66   79   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      6   15   23   32   43   58   71   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      6   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G    81_A     G    81_A     10   22  109      4    8   16   28   42   60   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     A    82_A     A    82_A     10   22  109      3   10   23   28   42   59   71   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     A    83_A     A    83_A     10   22  109      3    8   23   30   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     I    84_A     I    84_A      8   22  109      5   18   23   30   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G    85_A     G    85_A      8   22  109      5   10   22   30   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     A    86_A     A    86_A      8   22  109      7   15   22   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L    87_A     L    87_A      8   22  109      5   10   17   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     S    88_A     S    88_A      8   13  109      5   10   17   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  109      5   10   17   29   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  109      4   10   17   29   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  109      4   10   16   26   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     P    92_A     P    92_A      8   13  109      4    6   13   24   39   54   67   77   83   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   17   32   47   59   72   80   87   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G    94_A     G    94_A      5   10  109      3    4    6   15   25   38   53   66   77   87   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    6   24   39   55   66   78   87   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    4    5    9   14   38   46   64   77   87   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     N    97_A     N    97_A      4    6  109      3    4    5    8   14   16   28   48   59   78   87   93   98  101  103  105  105  105  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    5    8   14   20   36   50   63   81   88   94   98  101  103  105  105  105  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    4    6    7   13   16   27   47   61   67   77   87   95  101  104  105  105  107  107 
LCS_GDT     Q   100_A     Q   100_A      3    6  109      3    3    8   11   17   31   45   61   71   83   93   97   99  101  103  105  105  105  107  107 
LCS_GDT     P   101_A     P   101_A      3   12  109      3    3    4   10   23   39   53   66   79   87   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G   102_A     G   102_A     10   12  109      5   10   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L   103_A     L   103_A     10   12  109      5   10   16   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     E   104_A     E   104_A     10   12  109      7   10   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     I   105_A     I   105_A     10   12  109      7   10   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     P   106_A     P   106_A     10   12  109      5   13   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     L   107_A     L   107_A     10   12  109      7   15   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     Y   108_A     Y   108_A     10   12  109      7   15   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G   109_A     G   109_A     10   12  109      5   18   23   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     Y   110_A     Y   110_A     10   12  109      6   15   23   30   42   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G   111_A     G   111_A     10   12  109      7   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     G   112_A     G   112_A      8   12  109      7   18   24   35   45   61   72   80   84   88   94   97   99  101  103  105  105  105  107  107 
LCS_GDT     S   113_A     S   113_A      3   12  109      3    3    4   16   22   28   65   76   83   88   94   97   99  101  103  105  105  105  107  107 
LCS_AVERAGE  LCS_A:  39.45  (   8.24   15.13   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      7     18     24     35     45     61     72     80     84     88     94     97     99    101    103    105    105    105    107    107 
GDT PERCENT_AT   6.25  16.07  21.43  31.25  40.18  54.46  64.29  71.43  75.00  78.57  83.93  86.61  88.39  90.18  91.96  93.75  93.75  93.75  95.54  95.54
GDT RMS_LOCAL    0.27   0.63   1.19   1.49   1.73   2.22   2.43   2.63   2.74   2.91   3.30   3.39   3.48   3.61   3.80   3.96   3.96   3.96   4.26   4.26
GDT RMS_ALL_AT  10.96  10.41   7.64   7.48   7.56   6.80   6.86   6.95   6.95   6.98   6.51   6.55   6.59   6.53   6.41   6.39   6.39   6.39   6.28   6.28

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_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    28.122     0    0.261   0.302    29.545    0.000    0.000
LGA    M     3_A      M     3_A    26.372     0    0.241   0.265    29.376    0.000    0.000
LGA    G     4_A      G     4_A    25.752     0    0.044   0.044    25.752    0.000    0.000
LGA    L     5_A      L     5_A    23.603     0    0.695   1.077    25.228    0.000    0.000
LGA    L     6_A      L     6_A    19.829     0    0.305   0.970    24.623    0.000    0.000
LGA    P     7_A      P     7_A    14.659     0    0.344   0.317    19.295    0.000    0.000
LGA    L     8_A      L     8_A    10.867     0    0.042   1.102    13.392    1.071    0.595
LGA    K     9_A      K     9_A     6.896     0    0.055   1.042     8.371   14.167   15.079
LGA    V    10_A      V    10_A     3.475     0    0.027   0.219     4.574   50.833   47.823
LGA    T    11_A      T    11_A     1.486     0    0.039   1.270     3.168   69.286   66.395
LGA    H    12_A      H    12_A     3.549     0    0.662   1.586     9.995   57.500   30.381
LGA    T    13_A      T    13_A     3.024     0    0.146   0.358     4.521   53.571   49.388
LGA    T    14_A      T    14_A     2.250     0    0.061   0.116     3.403   64.881   60.544
LGA    L    15_A      L    15_A     1.591     0    0.054   0.136     2.533   66.905   76.429
LGA    C    16_A      C    16_A     3.052     0    0.006   0.161     5.112   61.071   51.270
LGA    W    17_A      W    17_A     2.048     0    0.689   0.566     3.781   59.405   72.789
LGA    G    18_A      G    18_A     3.171     0    0.076   0.076     3.171   55.357   55.357
LGA    S    19_A      S    19_A     2.970     0    0.008   0.623     3.344   61.190   58.651
LGA    T    20_A      T    20_A     2.147     0    0.039   0.094     3.518   57.500   62.993
LGA    K    21_A      K    21_A     3.162     0    0.078   0.924     4.467   51.786   45.026
LGA    L    22_A      L    22_A     3.550     0    0.060   0.122     4.763   40.476   45.298
LGA    R    23_A      R    23_A     5.486     0    0.076   1.345     7.391   26.310   22.597
LGA    T    24_A      T    24_A     4.053     0    0.121   0.752     4.304   41.905   41.633
LGA    D    25_A      D    25_A     3.698     0    0.048   1.165     7.650   46.905   33.274
LGA    V    26_A      V    26_A     1.909     0    0.048   1.200     3.369   68.810   67.347
LGA    R    27_A      R    27_A     2.206     0    0.059   0.488     7.319   68.810   43.333
LGA    K    28_A      K    28_A     1.934     0    0.020   1.280     3.146   66.786   64.286
LGA    S    29_A      S    29_A     2.067     0    0.010   0.208     2.342   66.786   67.460
LGA    M    30_A      M    30_A     2.117     0    0.033   1.169     6.570   68.810   53.095
LGA    Q    31_A      Q    31_A     1.977     0    0.055   1.047     3.830   70.833   59.365
LGA    V    32_A      V    32_A     2.021     0    0.027   1.139     4.430   75.119   66.735
LGA    K    33_A      K    33_A     2.881     0    0.044   1.271     6.882   48.690   35.450
LGA    N    34_A      N    34_A     4.241     0    0.082   0.427     8.327   54.762   36.071
LGA    T    35_A      T    35_A     4.315     0    0.520   0.440     7.250   41.905   29.252
LGA    A    36_A      A    36_A     2.977     0    0.019   0.035     3.673   57.500   56.000
LGA    D    37_A      D    37_A     1.535     0    0.077   0.912     6.265   72.857   53.869
LGA    K    38_A      K    38_A     2.674     0    0.012   0.606     7.762   64.881   44.762
LGA    R    39_A      R    39_A     2.923     0    0.148   1.400     7.105   57.143   34.805
LGA    L    40_A      L    40_A     3.534     0    0.065   0.907     6.909   48.333   35.833
LGA    V    41_A      V    41_A     3.101     0    0.068   0.077     3.236   51.786   53.061
LGA    I    42_A      I    42_A     3.019     0    0.028   1.226     7.258   51.786   44.762
LGA    R    43_A      R    43_A     2.941     0    0.079   0.845     3.058   57.143   62.987
LGA    L    44_A      L    44_A     2.949     0    0.041   0.681     5.242   55.357   47.262
LGA    G    45_A      G    45_A     3.186     0    0.061   0.061     3.186   53.571   53.571
LGA    I    46_A      I    46_A     3.122     0    0.067   1.210     4.986   46.667   43.750
LGA    Q    47_A      Q    47_A     4.125     0    0.061   1.364     9.385   37.262   26.931
LGA    G    48_A      G    48_A     5.962     0    0.250   0.250     6.315   22.738   22.738
LGA    P    49_A      P    49_A     8.541     0    0.017   0.042    11.069    4.881    2.857
LGA    G    50_A      G    50_A     5.894     0    0.277   0.277     6.828   25.833   25.833
LGA    F    51_A      F    51_A     2.567     0    0.010   1.413     7.314   72.738   41.948
LGA    Q    52_A      Q    52_A     2.122     0    0.180   1.010    10.260   82.024   44.339
LGA    L    53_A      L    53_A     2.543     0    0.321   0.591     3.872   55.595   49.464
LGA    V    54_A      V    54_A     2.219     0    0.099   1.030     4.077   68.810   57.959
LGA    G    55_A      G    55_A     2.103     0    0.665   0.665     2.103   70.833   70.833
LGA    T    56_A      T    56_A     4.098     0    0.332   0.967     7.442   29.643   25.170
LGA    D    57_A      D    57_A     8.014     0    0.590   0.690    10.973   10.476    5.476
LGA    S    58_A      S    58_A     6.624     0    0.044   0.674     7.119   11.667   12.857
LGA    S    59_A      S    59_A     7.221     0    0.259   0.470     8.301   14.524   11.667
LGA    T    60_A      T    60_A     3.069     0    0.629   1.285     5.660   36.429   52.109
LGA    I    61_A      I    61_A     4.800     0    0.162   0.171     7.265   38.810   28.155
LGA    T    62_A      T    62_A     4.352     0    0.204   0.214     4.627   34.286   34.694
LGA    L    63_A      L    63_A     3.216     0    0.216   0.897     4.629   50.119   44.464
LGA    Q    64_A      Q    64_A     4.367     0    0.054   1.171     6.732   43.571   35.185
LGA    A    65_A      A    65_A     5.740     0    0.634   0.587     7.254   24.048   21.238
LGA    M    66_A      M    66_A     2.467     0    0.153   1.136     6.903   59.048   47.500
LGA    E    67_A      E    67_A     2.933     0    0.207   0.995     3.453   65.119   59.153
LGA    C    68_A      C    68_A     3.237     0    0.013   0.752     7.278   43.690   36.984
LGA    R    69_A      R    69_A     3.338     0    0.072   1.580     8.095   59.286   37.143
LGA    S    70_A      S    70_A     2.502     0    0.031   0.165     3.147   57.262   57.222
LGA    V    71_A      V    71_A     2.201     0    0.079   1.037     4.211   66.786   65.646
LGA    V    72_A      V    72_A     1.848     0    0.034   0.092     2.233   68.810   71.769
LGA    I    73_A      I    73_A     2.250     0    0.027   0.470     2.526   64.762   63.810
LGA    N    74_A      N    74_A     2.319     0    0.084   0.910     3.250   59.167   62.024
LGA    F    75_A      F    75_A     2.436     0    0.045   0.838     2.532   62.857   69.394
LGA    C    76_A      C    76_A     3.055     0    0.140   0.810     4.031   48.571   54.683
LGA    P    77_A      P    77_A     2.598     0    0.112   0.127     3.069   57.262   65.170
LGA    T    78_A      T    78_A     4.340     0    0.092   0.135     5.537   37.262   31.837
LGA    V    79_A      V    79_A     3.559     0    0.011   1.172     6.699   56.071   44.626
LGA    C    80_A      C    80_A     0.880     0    0.133   0.844     2.485   86.071   80.317
LGA    G    81_A      G    81_A     3.342     0    0.055   0.055     3.342   63.214   63.214
LGA    A    82_A      A    82_A     3.774     0    0.266   0.310     4.419   46.667   44.762
LGA    A    83_A      A    83_A     3.130     0    0.018   0.023     3.776   51.786   50.095
LGA    I    84_A      I    84_A     2.731     0    0.063   1.093     3.865   60.952   53.869
LGA    G    85_A      G    85_A     2.391     0    0.010   0.010     2.625   66.905   66.905
LGA    A    86_A      A    86_A     0.984     0    0.005   0.011     1.577   81.548   83.333
LGA    L    87_A      L    87_A     1.599     0    0.098   0.214     2.742   75.000   67.976
LGA    S    88_A      S    88_A     1.657     0    0.044   0.067     1.891   72.857   72.857
LGA    F    89_A      F    89_A     2.213     0    0.131   0.586     5.137   62.857   50.346
LGA    Y    90_A      Y    90_A     2.007     0    0.011   1.270    11.145   59.167   34.008
LGA    A    91_A      A    91_A     3.172     0    0.021   0.050     3.678   48.452   48.762
LGA    P    92_A      P    92_A     5.409     0    0.038   0.057     6.433   27.619   24.422
LGA    P    93_A      P    93_A     6.894     0    0.609   0.591     8.959   12.500   10.000
LGA    G    94_A      G    94_A     8.455     0    0.670   0.670     8.455    9.167    9.167
LGA    A    95_A      A    95_A     7.519     0    0.520   0.544    10.270    4.167    3.905
LGA    H    96_A      H    96_A     8.315     0    0.007   0.177    13.510    7.738    3.857
LGA    N    97_A      N    97_A    11.446     0    0.420   1.188    13.168    0.000    0.000
LGA    S    98_A      S    98_A    11.336     0    0.658   0.727    13.399    0.000    0.000
LGA    N    99_A      N    99_A    14.864     0    0.541   0.891    20.396    0.000    0.000
LGA    Q   100_A      Q   100_A     9.270     0    0.366   1.278    11.607    2.738    1.693
LGA    P   101_A      P   101_A     6.445     0    0.226   0.276     8.864   31.190   19.660
LGA    G   102_A      G   102_A     2.085     0    0.396   0.396     4.322   55.952   55.952
LGA    L   103_A      L   103_A     1.920     0    0.031   1.335     5.916   75.000   62.619
LGA    E   104_A      E   104_A     1.186     0    0.040   0.204     1.525   79.286   80.529
LGA    I   105_A      I   105_A     0.549     0    0.075   0.611     2.301   92.857   88.452
LGA    P   106_A      P   106_A     0.742     0    0.094   0.406     2.340   97.619   88.299
LGA    L   107_A      L   107_A     0.339     0    0.204   1.294     3.338   95.357   84.524
LGA    Y   108_A      Y   108_A     0.621     0    0.032   1.395     9.452   90.476   55.198
LGA    G   109_A      G   109_A     0.976     0    0.206   0.206     2.776   77.738   77.738
LGA    Y   110_A      Y   110_A     1.812     0    0.209   1.151    10.360   81.548   41.310
LGA    G   111_A      G   111_A     0.825     0    0.126   0.126     1.706   86.190   86.190
LGA    G   112_A      G   112_A     2.005     0    0.142   0.142     3.989   59.524   59.524
LGA    S   113_A      S   113_A     5.012     0    0.077   0.658     8.079   42.619   30.873

# 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):     6.074          5.967                  6.491           48.870   43.481

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.63    53.125    46.894     2.927

LGA_LOCAL      RMSD:   2.633  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.948  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.074  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.214253 * X  +  -0.281860 * Y  +   0.935228 * Z  +  -1.057460
  Y_new =  -0.173603 * X  +   0.953206 * Y  +   0.247507 * Z  + -10.484892
  Z_new =  -0.961227 * X  +  -0.109329 * Y  +  -0.253159 * Z  + -38.370930 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.460619  1.291419 -2.733925   [DEG: -140.9831   73.9928 -156.6424 ]
ZXZ:  1.829514  1.826740 -1.684049   [DEG:  104.8234  104.6645  -96.4889 ]
 
# END of job
