
#######################################################
#                                                     #
#                        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       4.86     6.18
  LCS_AVERAGE:     94.99

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.95     7.73
  LCS_AVERAGE:     15.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.90     8.39
  LCS_AVERAGE:      8.35

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      3    4    8      0    3    3    3    4    5    5    6    6    7   10   13   15   15   17   17   24   26   26   28 
LCS_GDT     M     3_A     M     3_A      3    4    9      3    3    3    3    4    5    5    6    6    7    7   13   15   15   21   23   24   27   31   35 
LCS_GDT     G     4_A     G     4_A      3    4   17      3    3    3    3    4    5    5    6    7   10   15   15   16   22   23   26   29   30   32   35 
LCS_GDT     L     5_A     L     5_A      3    5  109      3    3    4    4    5    7   11   16   19   21   21   26   34   34   35   38   42   47   76   82 
LCS_GDT     L     6_A     L     6_A      3    8  109      2    3    4    6    6    7    9   10   19   21   21   26   34   46   52   59   67   82   94  100 
LCS_GDT     P     7_A     P     7_A      7    8  109      5    6    7    7    8    8   10   12   19   28   43   52   64   76   83   93  103  105  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      5    6    7    7    8   11   23   31   40   53   66   87   98  102  104  105  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      5    6    7   13   18   36   46   68   79   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      5    6   12   25   42   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      5   12   19   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   24  109      7   18   23   31   40   55   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   24  109      7   12   24   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   24  109      7   12   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     11   24  109      7   12   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     11   24  109      7   10   16   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     W    17_A     W    17_A     11   24  109      6   12   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      4   12   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     12   24  109      4   12   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     12   24  109      6   18   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     12   24  109      6   18   24   38   45   55   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     12   24  109      6   18   24   38   45   55   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     12   24  109      3    6   19   28   36   43   54   66   80   87   90   96   99  102  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     12   24  109      6   18   24   32   45   55   67   79   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     12   24  109      6   18   24   32   45   55   69   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     12   24  109      8   18   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     12   24  109      8   18   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     12   24  109      8   18   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     12   24  109      8   18   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     12   24  109      8   15   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   24  109      8   15   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      5   11   16   32   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    8   15   32   44   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      7   23  109      5    9   13   25   40   58   69   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A      6   23  109      3    8   15   30   42   56   70   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   23  109      4    9   16   31   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      5   10   17   29   44   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      4   11   17   26   44   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   21  109      4   11   18   27   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   21  109      4    6   18   27   37   53   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   21  109      4   11   18   27   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   21  109      4   11   18   27   42   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   21  109      4   11   18   28   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   21  109      4   11   18   28   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   21  109      4   11   15   27   41   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   21  109      4   11   16   28   41   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   21  109      4   11   15   23   38   59   69   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   21  109      3   11   15   20   32   47   60   74   83   88   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    49_A     P    49_A     13   21  109      3    4   14   19   24   34   48   59   73   80   87   93   99  101  104  105  105  106  107  107 
LCS_GDT     G    50_A     G    50_A     13   21  109      4   11   15   22   34   47   60   74   82   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    51_A     F    51_A      6   19  109      3    4   16   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      6   16  109      3    5   14   32   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   15  109      3    5   13   26   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3   10   18   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   13   30   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      0    4   12   25   37   59   70   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    3    4    6    8   13   36   46   59   77   86   95   99  102  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    8   12   19   29   34   51   68   78   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      4    5    8   18   20   28   38   54   76   84   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      3   11   18   28   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    5   19   26   37   53   66   82   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5   15   26   37   53   73   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5    7   24   40   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      4    9   18   21   25   54   69   77   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    6   10   23   25   37   58   76   88   91   96   99  101  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      4   13   19   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      4   13   20   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      4   13   21   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      4   11   19   27   45   58   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   13   21   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      5   13   21   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      7   15   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      8   15   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      8   18   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      7   18   24   37   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      7   18   23   32   45   57   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      4   16   23   32   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      4   16   20   28   36   55   64   77   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      7   13   20   32   45   55   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      6   18   23   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A     11   22  109      3    8   17   28   43   60   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A     11   22  109      3   11   20   27   41   59   71   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A      6   22  109      3    8   20   28   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   22  109      5   18   23   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   22  109      5   11   23   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   22  109      6   15   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   22  109      5   11   18   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   13  109      5   11   18   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  109      5   11   18   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  109      4   11   18   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  109      4   11   16   27   43   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      8   13  109      4    6   14   21   37   54   67   76   83   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   17   32   48   63   73   82   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   11  109      3    4    7   15   30   45   60   71   82   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    6   20   42   56   73   82   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    4    5    9   21   38   48   67   82   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     N    97_A     N    97_A      4    6  109      3    4    4    9   13   16   32   48   61   81   89   94   98  102  104  105  105  106  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    4   10   14   23   36   51   64   82   89   94   98  102  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    5    6    8   14   23   36   52   65   69   81   91   96  101  104  105  106  107  107 
LCS_GDT     Q   100_A     Q   100_A      4    6  109      3    4    7   12   15   34   49   63   76   85   93   97   99  102  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A      4   12  109      3    4    5   12   28   42   56   73   82   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   12  109      5   12   17   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   12  109      4   12   17   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   12  109      7   11   21   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   12  109      7   12   21   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   12  109      5   11   23   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   12  109      6   15   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   12  109      6   15   24   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   12  109      5   18   23   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   12  109      6   16   22   31   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   12  109      6   18   23   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A     11   12  109      6   18   23   38   45   61   72   80   84   88   94   97   99  102  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      3   12  109      3    3    9   14   26   39   60   75   83   88   94   97   99  102  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  39.56  (   8.35   15.35   94.99 )

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     18     24     38     45     61     72     80     84     88     94     97     99    102    104    105    105    106    107    107 
GDT PERCENT_AT   7.14  16.07  21.43  33.93  40.18  54.46  64.29  71.43  75.00  78.57  83.93  86.61  88.39  91.07  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.37   0.66   1.06   1.56   1.72   2.21   2.42   2.62   2.74   2.89   3.23   3.35   3.43   3.78   3.83   3.89   3.89   4.04   4.18   4.18
GDT RMS_ALL_AT   7.86  10.34   8.58   7.56   7.54   6.85   6.93   6.90   6.97   6.93   6.56   6.59   6.63   6.38   6.41   6.42   6.42   6.36   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    30.268     0    0.180   0.318    31.910    0.000    0.000
LGA    M     3_A      M     3_A    25.256     0    0.013   0.814    27.332    0.000    0.000
LGA    G     4_A      G     4_A    25.562     0    0.041   0.041    25.562    0.000    0.000
LGA    L     5_A      L     5_A    23.780     0    0.648   1.184    25.504    0.000    0.000
LGA    L     6_A      L     6_A    19.576     0    0.323   1.012    24.267    0.000    0.000
LGA    P     7_A      P     7_A    14.316     0    0.360   0.351    19.035    0.000    0.000
LGA    L     8_A      L     8_A    10.483     0    0.052   1.009    11.878    2.500    1.250
LGA    K     9_A      K     9_A     6.635     0    0.044   1.038     8.088   15.238   16.455
LGA    V    10_A      V    10_A     3.271     0    0.027   0.261     4.314   52.262   49.456
LGA    T    11_A      T    11_A     1.414     0    0.023   1.211     3.233   71.429   69.864
LGA    H    12_A      H    12_A     3.572     0    0.648   1.594    10.188   57.500   29.619
LGA    T    13_A      T    13_A     2.920     0    0.147   0.383     4.577   57.262   51.497
LGA    T    14_A      T    14_A     2.144     0    0.042   0.058     3.250   68.810   62.789
LGA    L    15_A      L    15_A     1.538     0    0.040   0.106     2.580   66.905   77.560
LGA    C    16_A      C    16_A     3.092     0    0.021   0.680     4.372   61.071   53.095
LGA    W    17_A      W    17_A     2.314     0    0.084   0.530     3.920   55.595   72.959
LGA    G    18_A      G    18_A     2.544     0    0.057   0.057     2.563   62.976   62.976
LGA    S    19_A      S    19_A     3.019     0    0.016   0.574     3.509   61.190   57.540
LGA    T    20_A      T    20_A     2.290     0    0.008   0.107     3.556   55.595   61.905
LGA    K    21_A      K    21_A     3.421     0    0.057   0.954     4.871   51.786   42.381
LGA    L    22_A      L    22_A     3.715     0    0.027   0.166     4.983   38.810   41.905
LGA    R    23_A      R    23_A     5.759     0    0.012   1.303     7.396   22.857   20.736
LGA    T    24_A      T    24_A     4.327     0    0.097   0.689     4.494   41.905   40.748
LGA    D    25_A      D    25_A     3.815     0    0.009   1.168     7.962   45.119   31.905
LGA    V    26_A      V    26_A     2.083     0    0.042   1.186     3.426   62.857   65.102
LGA    R    27_A      R    27_A     2.341     0    0.080   0.463     7.440   66.786   42.165
LGA    K    28_A      K    28_A     1.931     0    0.033   1.292     3.168   66.786   65.079
LGA    S    29_A      S    29_A     2.188     0    0.047   0.191     2.420   64.762   64.762
LGA    M    30_A      M    30_A     2.243     0    0.012   1.170     7.789   66.786   50.774
LGA    Q    31_A      Q    31_A     2.060     0    0.051   1.100     4.057   64.881   56.085
LGA    V    32_A      V    32_A     1.892     0    0.025   1.031     3.494   77.143   70.884
LGA    K    33_A      K    33_A     2.717     0    0.008   1.315     6.917   50.357   36.190
LGA    N    34_A      N    34_A     4.040     0    0.041   0.383     8.288   56.429   38.155
LGA    T    35_A      T    35_A     3.897     0    0.515   0.453     6.910   46.905   33.673
LGA    A    36_A      A    36_A     2.630     0    0.041   0.056     3.259   61.190   60.381
LGA    D    37_A      D    37_A     1.501     0    0.139   0.971     5.842   72.857   57.500
LGA    K    38_A      K    38_A     2.801     0    0.021   0.592     7.506   62.976   45.185
LGA    R    39_A      R    39_A     3.094     0    0.199   0.906     9.738   51.786   27.662
LGA    L    40_A      L    40_A     3.690     0    0.050   0.886     6.658   43.333   33.929
LGA    V    41_A      V    41_A     3.170     0    0.040   0.060     3.315   50.000   51.020
LGA    I    42_A      I    42_A     3.169     0    0.052   0.664     5.801   50.000   45.595
LGA    R    43_A      R    43_A     2.739     0    0.041   1.247     6.257   57.143   57.532
LGA    L    44_A      L    44_A     2.667     0    0.030   0.739     5.084   57.143   48.988
LGA    G    45_A      G    45_A     3.046     0    0.078   0.078     3.046   55.357   55.357
LGA    I    46_A      I    46_A     3.010     0    0.051   1.230     4.813   48.333   44.583
LGA    Q    47_A      Q    47_A     4.086     0    0.057   0.980     6.539   37.262   33.704
LGA    G    48_A      G    48_A     5.710     0    0.228   0.228     5.989   25.119   25.119
LGA    P    49_A      P    49_A     8.134     0    0.015   0.043    10.614    7.262    4.354
LGA    G    50_A      G    50_A     5.734     0    0.292   0.292     6.490   28.214   28.214
LGA    F    51_A      F    51_A     2.414     0    0.019   1.165     7.747   76.310   45.887
LGA    Q    52_A      Q    52_A     2.051     0    0.169   1.148     9.656   82.024   44.921
LGA    L    53_A      L    53_A     2.450     0    0.318   1.265     6.180   59.405   46.667
LGA    V    54_A      V    54_A     2.091     0    0.084   1.032     3.959   68.810   58.844
LGA    G    55_A      G    55_A     1.944     0    0.627   0.627     1.944   72.857   72.857
LGA    T    56_A      T    56_A     4.117     0    0.515   1.039     7.494   29.643   25.170
LGA    D    57_A      D    57_A     8.051     0    0.597   0.666    11.334   10.476    5.417
LGA    S    58_A      S    58_A     6.610     0    0.141   0.700     7.220   12.500   13.413
LGA    S    59_A      S    59_A     7.211     0    0.234   0.427     8.130   14.524   11.667
LGA    T    60_A      T    60_A     3.119     0    0.640   1.284     5.784   36.429   52.109
LGA    I    61_A      I    61_A     4.761     0    0.122   0.181     7.206   38.810   28.155
LGA    T    62_A      T    62_A     4.468     0    0.189   0.201     4.719   34.286   34.694
LGA    L    63_A      L    63_A     3.324     0    0.221   0.890     4.577   48.333   42.798
LGA    Q    64_A      Q    64_A     4.592     0    0.055   1.231     6.924   42.143   32.011
LGA    A    65_A      A    65_A     5.879     0    0.629   0.582     7.422   22.857   20.286
LGA    M    66_A      M    66_A     2.325     0    0.207   1.188     6.576   59.048   48.333
LGA    E    67_A      E    67_A     3.001     0    0.176   0.975     3.676   61.429   56.032
LGA    C    68_A      C    68_A     3.290     0    0.000   0.749     7.295   42.024   35.873
LGA    R    69_A      R    69_A     3.381     0    0.085   1.290     6.657   59.286   39.307
LGA    S    70_A      S    70_A     2.499     0    0.044   0.149     3.085   59.167   57.302
LGA    V    71_A      V    71_A     2.203     0    0.051   1.058     4.263   68.810   66.803
LGA    V    72_A      V    72_A     1.888     0    0.048   0.074     2.334   66.786   71.837
LGA    I    73_A      I    73_A     2.286     0    0.013   0.152     2.527   64.762   63.810
LGA    N    74_A      N    74_A     2.438     0    0.054   0.955     3.084   59.167   62.024
LGA    F    75_A      F    75_A     2.530     0    0.042   0.859     2.668   59.048   68.009
LGA    C    76_A      C    76_A     3.216     0    0.163   0.804     4.202   48.571   53.175
LGA    P    77_A      P    77_A     2.584     0    0.095   0.126     3.203   55.476   65.374
LGA    T    78_A      T    78_A     4.603     0    0.109   0.118     5.834   33.095   28.095
LGA    V    79_A      V    79_A     3.618     0    0.013   1.174     6.709   56.071   44.626
LGA    C    80_A      C    80_A     0.912     0    0.132   0.865     3.760   81.548   73.730
LGA    G    81_A      G    81_A     3.499     0    0.063   0.063     3.499   57.381   57.381
LGA    A    82_A      A    82_A     3.822     0    0.314   0.358     4.574   46.667   43.619
LGA    A    83_A      A    83_A     2.992     0    0.032   0.039     3.462   53.571   52.857
LGA    I    84_A      I    84_A     2.601     0    0.065   1.095     3.715   62.857   55.655
LGA    G    85_A      G    85_A     2.496     0    0.032   0.032     2.625   66.905   66.905
LGA    A    86_A      A    86_A     1.076     0    0.003   0.009     1.610   81.548   83.333
LGA    L    87_A      L    87_A     1.351     0    0.082   0.203     2.598   79.286   72.083
LGA    S    88_A      S    88_A     1.549     0    0.023   0.083     1.707   75.000   74.286
LGA    F    89_A      F    89_A     2.121     0    0.120   0.591     5.040   62.857   50.996
LGA    Y    90_A      Y    90_A     1.900     0    0.010   1.262    10.908   66.905   37.579
LGA    A    91_A      A    91_A     3.185     0    0.022   0.028     3.488   51.786   51.429
LGA    P    92_A      P    92_A     5.143     0    0.032   0.047     6.200   31.667   26.735
LGA    P    93_A      P    93_A     6.312     0    0.597   0.558     8.584   17.143   13.061
LGA    G    94_A      G    94_A     7.576     0    0.661   0.661     7.576   14.167   14.167
LGA    A    95_A      A    95_A     6.888     0    0.564   0.588     9.551    7.024    6.571
LGA    H    96_A      H    96_A     7.646     0    0.014   0.184    13.211   12.143    6.048
LGA    N    97_A      N    97_A    11.008     0    0.300   0.940    14.165    0.000    0.000
LGA    S    98_A      S    98_A    10.865     0    0.631   0.771    12.855    0.000    0.000
LGA    N    99_A      N    99_A    14.128     0    0.542   1.140    20.328    0.000    0.000
LGA    Q   100_A      Q   100_A     8.508     0    0.324   1.239    10.384    5.714    4.074
LGA    P   101_A      P   101_A     5.964     0    0.203   0.258     8.272   34.643   22.585
LGA    G   102_A      G   102_A     2.435     0    0.415   0.415     4.463   55.952   55.952
LGA    L   103_A      L   103_A     2.111     0    0.055   1.366     6.327   72.976   58.333
LGA    E   104_A      E   104_A     1.273     0    0.003   0.255     2.134   79.286   79.630
LGA    I   105_A      I   105_A     0.588     0    0.060   0.621     2.214   90.476   87.262
LGA    P   106_A      P   106_A     0.859     0    0.125   0.371     2.056   90.476   85.510
LGA    L   107_A      L   107_A     0.386     0    0.209   1.284     3.442   95.357   84.524
LGA    Y   108_A      Y   108_A     0.571     0    0.031   1.377     9.421   90.476   55.198
LGA    G   109_A      G   109_A     0.567     0    0.176   0.176     2.344   81.786   81.786
LGA    Y   110_A      Y   110_A     1.793     0    0.224   1.092     9.924   79.286   41.627
LGA    G   111_A      G   111_A     0.681     0    0.126   0.126     1.623   83.810   83.810
LGA    G   112_A      G   112_A     1.631     0    0.094   0.094     4.264   64.048   64.048
LGA    S   113_A      S   113_A     4.970     0    0.094   0.575     8.377   43.929   31.270

# 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):     6.083          5.966                  6.494           49.101   43.787

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.62    53.795    47.187     2.936

LGA_LOCAL      RMSD:   2.625  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.899  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.083  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.092083 * X  +   0.483734 * Y  +   0.870358 * Z  +  -0.939634
  Y_new =  -0.978783 * X  +   0.116706 * Y  +  -0.168417 * Z  + -14.220304
  Z_new =  -0.183045 * X  +  -0.867399 * Y  +   0.462724 * Z  + -37.289116 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.664599  0.184083 -1.080739   [DEG:  -95.3745   10.5472  -61.9218 ]
ZXZ:  1.379655  1.089731 -2.933617   [DEG:   79.0484   62.4370 -168.0839 ]
 
# END of job
