
#######################################################
#                                                     #
#                        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       4.83     6.26
  LCS_AVERAGE:     95.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.99     7.91
  LCS_AVERAGE:     15.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.86     8.45
  LCS_AVERAGE:      8.47

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    5   19      3    3    3    4    4    5    5    6    7    7    7    8    9   13   33   34   41   42   53   67 
LCS_GDT     M     3_A     M     3_A      3    6   19      3    3    4    6    6    8    9   11   12   18   23   26   32   35   37   38   48   51   56   62 
LCS_GDT     G     4_A     G     4_A      4    6   19      3    4    4    6    6    8    9   11   12   20   23   26   29   31   37   38   41   47   56   62 
LCS_GDT     L     5_A     L     5_A      4    6  109      3    4    4    6    6    8   11   15   18   22   24   28   36   46   49   58   63   67   75   94 
LCS_GDT     L     6_A     L     6_A      4    7  109      3    4    4    6    6    8    9   15   18   20   24   28   38   46   51   58   75   80   89   96 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    6    7    7    7    8   10   12   19   31   41   47   60   71   85   94  103  105  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    6    7    7    7   10   19   29   39   53   72   80   98  101  104  105  105  105  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    6    7   10   17   31   47   68   79   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   12   24   41   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      4   13   20   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     H    12_A     H    12_A     10   24  109      7   19   24   32   41   55   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    13_A     T    13_A     10   24  109      7   11   22   32   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    14_A     T    14_A     10   24  109      7   11   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L    15_A     L    15_A     10   24  109      7   11   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     C    16_A     C    16_A     10   24  109      7    9   16   29   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     W    17_A     W    17_A     10   24  109      6    9   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      4   11   22   31   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     S    19_A     S    19_A     13   24  109      4   12   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    20_A     T    20_A     13   24  109      4   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     K    21_A     K    21_A     13   24  109      6   19   24   36   45   55   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L    22_A     L    22_A     13   24  109      6   19   24   35   45   55   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     R    23_A     R    23_A     13   24  109      4   14   22   29   37   46   60   68   82   86   90   96   99  101  104  105  105  105  107  107 
LCS_GDT     T    24_A     T    24_A     13   24  109      6   19   24   32   43   55   69   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     D    25_A     D    25_A     13   24  109      6   19   24   32   43   55   70   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    26_A     V    26_A     13   24  109      8   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     R    27_A     R    27_A     13   24  109      8   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     K    28_A     K    28_A     13   24  109      8   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     S    29_A     S    29_A     13   24  109      8   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     M    30_A     M    30_A     13   24  109      8   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     Q    31_A     Q    31_A     13   24  109      8   15   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      5   11   16   30   44   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    9   16   30   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     N    34_A     N    34_A      7   22  109      5    9   15   25   41   59   69   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    35_A     T    35_A      6   22  109      3    7   16   27   40   55   69   79   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     A    36_A     A    36_A     13   22  109      4    8   16   28   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     D    37_A     D    37_A     13   22  109      7   10   16   30   44   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      4   10   17   27   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     R    39_A     R    39_A     13   19  109      5   10   18   27   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L    40_A     L    40_A     13   19  109      6    6   18   27   36   59   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    41_A     V    41_A     13   19  109      6   10   18   27   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     I    42_A     I    42_A     13   19  109      6   10   18   27   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     R    43_A     R    43_A     13   19  109      6   10   18   28   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L    44_A     L    44_A     13   19  109      6   10   18   28   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G    45_A     G    45_A     13   19  109      3   10   15   28   41   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     I    46_A     I    46_A     13   19  109      3   10   16   28   42   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   19  109      5   10   15   25   40   58   69   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G    48_A     G    48_A     13   19  109      4   10   15   21   31   47   59   70   82   88   91   97   99  101  104  105  105  105  107  107 
LCS_GDT     P    49_A     P    49_A     13   19  109      4    4   11   18   24   34   45   59   69   76   86   91   98  101  102  105  105  105  107  107 
LCS_GDT     G    50_A     G    50_A      9   19  109      4   10   15   22   33   48   59   71   81   88   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     F    51_A     F    51_A      5   18  109      4    4   11   32   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     Q    52_A     Q    52_A      5   15  109      3    5   14   32   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    5   13   28   44   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    5   19   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   12   29   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      1    4   13   25   38   58   70   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    4    6    9   16   36   47   63   76   86   91   99  101  104  105  105  105  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    4   10   20   24   36   47   66   79   86   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      3    5   12   18   20   28   38   56   77   86   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   10   18   28   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    4    6   18   24   38   52   64   80   88   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5    8   24   43   69   78   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5   11   26   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      4   11   19   22   26   52   69   78   85   88   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    5    8   22   25   38   59   77   87   91   96   99  101  104  105  105  105  107  107 
LCS_GDT     M    66_A     M    66_A     14   23  109      3   15   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     E    67_A     E    67_A     14   23  109      4   15   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     C    68_A     C    68_A     14   23  109      4   15   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     R    69_A     R    69_A     14   23  109      4   11   19   26   44   60   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     S    70_A     S    70_A     14   23  109      4   15   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    71_A     V    71_A     14   23  109      6   15   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    72_A     V    72_A     14   23  109      6   15   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     I    73_A     I    73_A     14   23  109      8   15   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     N    74_A     N    74_A     14   23  109      8   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     F    75_A     F    75_A     14   23  109      6   19   24   35   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     C    76_A     C    76_A     14   23  109      6   19   24   34   45   57   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     P    77_A     P    77_A     14   23  109      6   16   24   34   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     T    78_A     T    78_A     14   23  109      6   15   22   29   43   53   69   78   85   88   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     V    79_A     V    79_A     14   23  109      6   15   21   34   45   55   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     C    80_A     C    80_A     11   23  109      6   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G    81_A     G    81_A     10   23  109      4    8   17   28   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     A    82_A     A    82_A     10   23  109      3   10   22   29   43   59   70   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     A    83_A     A    83_A     10   23  109      3    8   22   29   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     I    84_A     I    84_A      9   23  109      5   19   24   32   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G    85_A     G    85_A      9   23  109      5   11   24   32   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     A    86_A     A    86_A      9   23  109      7   15   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L    87_A     L    87_A      9   23  109      5   11   19   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     S    88_A     S    88_A      9   23  109      5   11   19   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     F    89_A     F    89_A      9   14  109      5   11   19   32   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     Y    90_A     Y    90_A      9   14  109      4   11   18   31   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     A    91_A     A    91_A      9   14  109      4   11   17   27   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     P    92_A     P    92_A      9   14  109      4    6   13   24   39   55   68   77   84   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     P    93_A     P    93_A      7   14  109      4    5    9   20   34   49   63   74   81   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G    94_A     G    94_A      5   14  109      3    4    7   16   31   46   60   70   81   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     A    95_A     A    95_A      4   11  109      3    3    4    6   15   44   58   73   81   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    4    5   17   23   36   49   67   79   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     N    97_A     N    97_A      4    6  109      3    4    5    8   11   16   29   41   54   78   86   93   99  101  104  105  105  105  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    4    5   10   13   25   37   48   65   80   89   94   99  101  104  105  105  105  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    4    5    6   10   15   23   35   44   56   67   82   91   98  101  104  105  105  107  107 
LCS_GDT     Q   100_A     Q   100_A      3    6  109      3    3    8   10   18   37   49   62   75   84   92   97   99  101  104  105  105  105  107  107 
LCS_GDT     P   101_A     P   101_A      3   13  109      3    3    5   10   25   44   56   73   81   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G   102_A     G   102_A     11   13  109      4   11   19   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L   103_A     L   103_A     11   13  109      4   11   19   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     E   104_A     E   104_A     11   13  109      7   11   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     I   105_A     I   105_A     11   13  109      7   11   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     P   106_A     P   106_A     11   13  109      5   13   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     L   107_A     L   107_A     11   13  109      7   15   22   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   13  109      7   15   21   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G   109_A     G   109_A     11   13  109      4   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   13  109      4   15   24   32   43   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G   111_A     G   111_A     11   13  109      7   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     G   112_A     G   112_A     11   13  109      7   19   24   36   45   61   72   80   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_GDT     S   113_A     S   113_A      6   13  109      4    4   22   29   38   54   67   79   85   89   93   97   99  101  104  105  105  105  107  107 
LCS_AVERAGE  LCS_A:  39.74  (   8.47   15.59   95.17 )

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     36     45     61     72     80     85     89     93     97     99    101    104    105    105    105    107    107 
GDT PERCENT_AT   7.14  16.96  21.43  32.14  40.18  54.46  64.29  71.43  75.89  79.46  83.04  86.61  88.39  90.18  92.86  93.75  93.75  93.75  95.54  95.54
GDT RMS_LOCAL    0.34   0.74   0.96   1.53   1.73   2.20   2.42   2.62   2.75   3.03   3.15   3.35   3.44   3.58   3.84   3.91   3.91   3.91   4.21   4.21
GDT RMS_ALL_AT   7.96  10.43   9.99   7.74   7.81   7.00   7.10   7.17   7.17   6.76   6.81   6.75   6.79   6.81   6.54   6.56   6.56   6.56   6.42   6.42

# 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
#   possible swapping detected:  E   104_A      E   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    29.103     0    0.237   0.261    29.296    0.000    0.000
LGA    M     3_A      M     3_A    30.508     0    0.038   0.094    37.068    0.000    0.000
LGA    G     4_A      G     4_A    29.017     0    0.690   0.690    29.017    0.000    0.000
LGA    L     5_A      L     5_A    22.356     0    0.136   1.058    24.677    0.000    0.000
LGA    L     6_A      L     6_A    19.797     0    0.325   1.099    24.328    0.000    0.000
LGA    P     7_A      P     7_A    14.686     0    0.350   0.320    19.340    0.000    0.000
LGA    L     8_A      L     8_A    10.695     0    0.014   0.966    12.223    1.905    0.952
LGA    K     9_A      K     9_A     6.772     0    0.040   0.837     8.464   14.167   10.952
LGA    V    10_A      V    10_A     3.430     0    0.039   0.240     4.472   52.262   49.456
LGA    T    11_A      T    11_A     1.410     0    0.029   1.206     3.148   71.429   69.864
LGA    H    12_A      H    12_A     3.650     0    0.657   1.618    10.173   57.500   30.095
LGA    T    13_A      T    13_A     3.047     0    0.128   0.360     4.610   55.476   50.476
LGA    T    14_A      T    14_A     2.295     0    0.058   0.116     3.433   62.857   59.388
LGA    L    15_A      L    15_A     1.631     0    0.055   0.137     2.543   66.905   75.298
LGA    C    16_A      C    16_A     3.066     0    0.007   0.172     5.047   61.071   51.270
LGA    W    17_A      W    17_A     2.060     0    0.691   0.584     3.919   57.500   71.633
LGA    G    18_A      G    18_A     2.992     0    0.080   0.080     2.992   57.143   57.143
LGA    S    19_A      S    19_A     2.985     0    0.024   0.038     3.769   62.976   57.540
LGA    T    20_A      T    20_A     2.156     0    0.027   0.068     3.471   59.167   63.946
LGA    K    21_A      K    21_A     3.226     0    0.069   0.929     4.603   51.786   44.392
LGA    L    22_A      L    22_A     3.651     0    0.060   0.109     4.839   40.476   43.631
LGA    R    23_A      R    23_A     5.529     0    0.052   0.671     9.054   25.119   15.974
LGA    T    24_A      T    24_A     4.043     0    0.127   0.757     4.311   41.905   41.633
LGA    D    25_A      D    25_A     3.694     0    0.040   1.214     7.515   46.905   32.798
LGA    V    26_A      V    26_A     1.905     0    0.040   1.205     3.298   66.786   67.347
LGA    R    27_A      R    27_A     2.245     0    0.060   0.463     6.992   66.786   43.766
LGA    K    28_A      K    28_A     2.020     0    0.023   1.225     3.181   64.762   63.280
LGA    S    29_A      S    29_A     2.194     0    0.019   0.224     2.498   64.762   64.762
LGA    M    30_A      M    30_A     2.262     0    0.023   1.132     6.500   66.786   52.024
LGA    Q    31_A      Q    31_A     2.040     0    0.050   1.070     3.944   64.881   56.667
LGA    V    32_A      V    32_A     2.121     0    0.032   1.161     4.587   73.095   64.762
LGA    K    33_A      K    33_A     2.816     0    0.043   1.261     6.809   48.690   35.450
LGA    N    34_A      N    34_A     4.221     0    0.083   0.427     8.375   56.429   36.905
LGA    T    35_A      T    35_A     4.304     0    0.513   0.432     7.262   41.905   29.252
LGA    A    36_A      A    36_A     2.951     0    0.017   0.037     3.644   57.500   56.000
LGA    D    37_A      D    37_A     1.546     0    0.056   0.909     6.344   70.833   52.857
LGA    K    38_A      K    38_A     2.735     0    0.016   0.587     7.754   64.881   44.286
LGA    R    39_A      R    39_A     3.045     0    0.156   1.369     6.566   51.786   33.160
LGA    L    40_A      L    40_A     3.591     0    0.060   0.898     6.796   48.333   35.833
LGA    V    41_A      V    41_A     3.146     0    0.061   0.069     3.289   51.786   53.061
LGA    I    42_A      I    42_A     2.975     0    0.022   1.247     7.268   53.571   46.548
LGA    R    43_A      R    43_A     2.895     0    0.090   1.211     5.910   57.143   59.264
LGA    L    44_A      L    44_A     2.892     0    0.043   0.700     5.075   55.357   48.095
LGA    G    45_A      G    45_A     3.183     0    0.067   0.067     3.183   53.571   53.571
LGA    I    46_A      I    46_A     3.140     0    0.062   1.224     5.011   46.667   42.440
LGA    Q    47_A      Q    47_A     4.115     0    0.061   1.324     9.136   37.262   27.302
LGA    G    48_A      G    48_A     5.995     0    0.241   0.241     6.333   22.738   22.738
LGA    P    49_A      P    49_A     8.496     0    0.022   0.047    10.989    5.952    3.469
LGA    G    50_A      G    50_A     5.927     0    0.290   0.290     6.823   25.833   25.833
LGA    F    51_A      F    51_A     2.572     0    0.011   1.394     7.266   72.738   42.251
LGA    Q    52_A      Q    52_A     2.082     0    0.180   1.047    10.089   82.024   44.339
LGA    L    53_A      L    53_A     2.443     0    0.324   0.626     3.776   59.405   53.036
LGA    V    54_A      V    54_A     2.218     0    0.097   1.033     4.032   68.810   57.959
LGA    G    55_A      G    55_A     2.037     0    0.665   0.665     2.037   70.833   70.833
LGA    T    56_A      T    56_A     4.176     0    0.325   1.038     7.467   29.643   25.170
LGA    D    57_A      D    57_A     8.097     0    0.594   0.705    10.950   10.476    5.417
LGA    S    58_A      S    58_A     6.899     0    0.061   0.751     7.320   11.667   13.571
LGA    S    59_A      S    59_A     7.219     0    0.266   0.490     8.240   14.524   11.667
LGA    T    60_A      T    60_A     3.128     0    0.632   1.281     5.908   36.429   53.333
LGA    I    61_A      I    61_A     4.913     0    0.166   0.169     7.359   38.810   27.083
LGA    T    62_A      T    62_A     4.370     0    0.207   0.218     4.669   34.286   34.694
LGA    L    63_A      L    63_A     3.206     0    0.214   0.891     4.496   51.786   45.238
LGA    Q    64_A      Q    64_A     4.517     0    0.053   1.162     6.878   42.143   32.698
LGA    A    65_A      A    65_A     5.823     0    0.634   0.588     7.348   24.048   21.238
LGA    M    66_A      M    66_A     2.462     0    0.167   1.141     6.832   59.048   47.500
LGA    E    67_A      E    67_A     2.965     0    0.201   0.989     3.571   65.119   58.413
LGA    C    68_A      C    68_A     3.186     0    0.020   0.749     7.253   43.690   36.984
LGA    R    69_A      R    69_A     3.334     0    0.079   1.587     8.211   59.286   36.190
LGA    S    70_A      S    70_A     2.484     0    0.023   0.141     3.119   59.167   58.492
LGA    V    71_A      V    71_A     2.152     0    0.084   1.057     4.176   68.810   66.803
LGA    V    72_A      V    72_A     1.813     0    0.040   0.104     2.216   68.810   72.993
LGA    I    73_A      I    73_A     2.204     0    0.034   0.478     2.540   64.762   63.810
LGA    N    74_A      N    74_A     2.277     0    0.072   0.909     3.155   59.167   62.976
LGA    F    75_A      F    75_A     2.433     0    0.049   0.855     2.529   62.857   69.394
LGA    C    76_A      C    76_A     3.081     0    0.134   0.810     4.038   48.571   54.683
LGA    P    77_A      P    77_A     2.556     0    0.104   0.116     3.042   57.262   65.170
LGA    T    78_A      T    78_A     4.284     0    0.107   0.144     5.454   37.262   32.517
LGA    V    79_A      V    79_A     3.461     0    0.019   1.171     6.573   57.738   46.395
LGA    C    80_A      C    80_A     1.046     0    0.145   0.867     3.732   81.548   73.730
LGA    G    81_A      G    81_A     3.210     0    0.060   0.060     3.210   63.214   63.214
LGA    A    82_A      A    82_A     3.653     0    0.263   0.305     4.315   46.667   44.762
LGA    A    83_A      A    83_A     3.015     0    0.024   0.031     3.643   51.786   50.095
LGA    I    84_A      I    84_A     2.744     0    0.063   1.086     3.943   59.048   52.917
LGA    G    85_A      G    85_A     2.476     0    0.010   0.010     2.684   66.905   66.905
LGA    A    86_A      A    86_A     1.136     0    0.006   0.011     1.739   79.286   81.524
LGA    L    87_A      L    87_A     1.440     0    0.097   0.216     2.606   79.286   72.083
LGA    S    88_A      S    88_A     1.454     0    0.052   0.085     1.730   77.143   77.143
LGA    F    89_A      F    89_A     2.122     0    0.105   0.576     5.046   66.786   51.775
LGA    Y    90_A      Y    90_A     1.943     0    0.025   1.258    10.913   63.095   36.310
LGA    A    91_A      A    91_A     3.143     0    0.019   0.054     3.552   52.024   51.619
LGA    P    92_A      P    92_A     5.197     0    0.046   0.072     6.246   30.238   25.918
LGA    P    93_A      P    93_A     6.397     0    0.604   0.574     8.676   16.190   12.517
LGA    G    94_A      G    94_A     7.763     0    0.675   0.675     7.763   13.452   13.452
LGA    A    95_A      A    95_A     7.027     0    0.517   0.540     9.814    6.190    5.524
LGA    H    96_A      H    96_A     7.966     0    0.009   0.132    13.599    9.643    4.905
LGA    N    97_A      N    97_A    11.131     0    0.421   1.192    12.842    0.000    0.000
LGA    S    98_A      S    98_A    11.063     0    0.661   0.721    13.103    0.000    0.000
LGA    N    99_A      N    99_A    14.662     0    0.547   0.851    20.342    0.000    0.000
LGA    Q   100_A      Q   100_A     9.030     0    0.359   1.331    13.314    3.333    1.799
LGA    P   101_A      P   101_A     6.234     0    0.214   0.325     8.971   33.571   21.429
LGA    G   102_A      G   102_A     2.189     0    0.370   0.370     4.510   54.524   54.524
LGA    L   103_A      L   103_A     1.894     0    0.040   1.334     6.032   77.143   61.369
LGA    E   104_A      E   104_A     1.101     0    0.046   0.703     3.130   81.429   72.434
LGA    I   105_A      I   105_A     0.468     0    0.067   0.605     2.221   95.238   89.643
LGA    P   106_A      P   106_A     0.687     0    0.091   0.396     2.284   97.619   89.592
LGA    L   107_A      L   107_A     0.402     0    0.207   1.298     3.363   95.357   84.524
LGA    Y   108_A      Y   108_A     0.675     0    0.018   1.394     9.295   90.476   55.913
LGA    G   109_A      G   109_A     0.955     0    0.203   0.203     2.672   77.738   77.738
LGA    Y   110_A      Y   110_A     1.755     0    0.209   1.143    10.300   79.286   40.556
LGA    G   111_A      G   111_A     0.781     0    0.208   0.208     1.858   86.190   86.190
LGA    G   112_A      G   112_A     1.520     0    0.145   0.145     4.187   64.405   64.405
LGA    S   113_A      S   113_A     4.286     0    0.036   0.636     5.822   37.976   33.254

# 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):     6.095          6.017                  6.528           49.112   43.515

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.62    53.571    47.208     2.936

LGA_LOCAL      RMSD:   2.624  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.167  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.095  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.279647 * X  +  -0.020200 * Y  +   0.959890 * Z  +  -1.628485
  Y_new =  -0.871151 * X  +   0.414941 * Y  +   0.262526 * Z  + -12.850918
  Z_new =  -0.403601 * X  +  -0.909624 * Y  +   0.098440 * Z  + -39.344460 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.260179  0.415449 -1.462996   [DEG:  -72.2029   23.8035  -83.8235 ]
ZXZ:  1.837764  1.472197 -2.723989   [DEG:  105.2961   84.3507 -156.0731 ]
 
# END of job
