
#######################################################
#                                                     #
#                        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       4.88     6.34
  LCS_AVERAGE:     95.16

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.98     8.06
  LCS_AVERAGE:     15.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.87     8.51
  LCS_AVERAGE:      8.44

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   18      3    3    3    3    4    5    5    5    6    7    7    7    9   11   19   29   33   42   47   48 
LCS_GDT     M     3_A     M     3_A      3    6   19      3    3    4    5    6    6    8   11   13   14   21   24   32   35   35   40   42   46   51   55 
LCS_GDT     G     4_A     G     4_A      4    6   19      3    4    4    5    6    8   10   11   13   14   16   20   25   26   31   37   40   44   47   48 
LCS_GDT     L     5_A     L     5_A      4    6  109      3    4    4    5    6    8   10   12   18   20   23   30   33   36   49   52   63   65   70   79 
LCS_GDT     L     6_A     L     6_A      4    7  109      3    4    4    6    6    8   10   11   15   20   23   26   39   45   50   54   65   81   88   97 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    6    7    7    7    8   10   13   20   33   41   47   60   71   85   99  103  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    6    7    7    7   10   20   33   42   59   67   88   97  101  104  105  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    6    7   10   21   36   53   68   78   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   12   26   41   60   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      3   14   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     10   24  109      7   16   24   31   40   54   71   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     10   24  109      7   11   22   31   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     10   24  109      7   11   22   34   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     10   24  109      7   11   22   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     10   24  109      7    9   16   29   46   60   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     W    17_A     W    17_A     10   24  109      6    8   22   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      4   11   19   29   46   60   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     13   24  109      4   12   22   36   46   60   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     13   24  109      6   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     13   24  109      6   16   24   36   46   56   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     13   24  109      6   15   24   36   46   56   69   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     13   24  109      4   14   22   29   36   45   59   72   83   86   89   95   99  101  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     13   24  109      6   16   24   36   43   54   67   79   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     13   24  109      6   16   24   36   43   54   69   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     13   24  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     13   24  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     13   24  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     13   24  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     13   24  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     13   24  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      6   11   16   30   44   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5   11   16   30   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      7   22  109      5   10   13   25   39   58   70   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A      9   22  109      3    7   16   27   39   53   70   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   22  109      6   11   16   30   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   22  109      4    9   16   30   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   21  109      4    9   18   28   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   20  109      5   10   18   28   41   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   20  109      5    8   18   26   35   57   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   20  109      5   10   18   28   40   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   20  109      5   10   18   28   40   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   20  109      5   10   18   28   41   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   20  109      5   10   18   28   41   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   20  109      4   10   15   27   40   60   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   20  109      4   10   15   27   40   60   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   20  109      5   10   15   24   40   56   69   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   20  109      4   10   15   19   30   46   59   70   80   87   90   96   99  101  104  105  105  106  107  107 
LCS_GDT     P    49_A     P    49_A     13   20  109      4    4   14   18   23   33   45   58   68   74   84   91   96  100  102  105  105  106  107  107 
LCS_GDT     G    50_A     G    50_A      9   20  109      5   10   15   22   33   46   59   70   79   87   91   96   99  101  104  105  105  106  107  107 
LCS_GDT     F    51_A     F    51_A      5   18  109      4    4   11   31   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      5   15  109      3    5   13   30   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    5   12   26   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    5   19   35   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   12   30   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      1    8   14   25   39   58   71   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    4    6    8   16   37   45   62   75   86   94   99  101  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    4   10   20   25   36   49   63   75   84   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      4    5    9   17   19   27   36   53   73   84   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      5   10   18   28   41   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    3    5   18   23   34   52   63   77   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    5   11   23   35   55   71   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5   11   23   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      4   11   19   22   27   54   68   78   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    65_A     A    65_A      5   19  109      3    5    5    8   20   25   37   55   72   87   89   95   99  100  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      6   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      4   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      4   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      4   11   19   28   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      6   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      7   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      8   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      6   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      7   16   24   36   46   56   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      5   15   24   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      5   16   22   29   42   54   64   78   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      4   16   22   36   46   56   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      6   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A     11   22  109      4    7   18   28   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A     11   22  109      4    9   22   29   41   59   71   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A     10   22  109      3    7   22   31   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   22  109      5   16   24   31   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   22  109      5   11   24   31   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   22  109      5   15   22   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   22  109      5   11   19   34   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   18  109      5   11   19   34   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  109      5   11   19   29   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  109      4   11   18   30   44   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  109      4   11   18   28   41   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      8   13  109      4    6   14   21   38   53   64   76   82   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   18   31   46   56   72   79   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   11  109      3    4    7   13   28   39   53   67   78   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    6   18   39   56   67   78   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    3    5    8   21   39   50   65   77   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     N    97_A     N    97_A      4    6  109      3    3    5    8   14   16   29   42   56   71   84   93   98  101  104  105  105  106  107  107 
LCS_GDT     S    98_A     S    98_A      4    5  109      3    3    5    8   13   22   32   47   62   74   86   93   98  101  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    3    4    7   10   12   22   30   42   56   67   78   90   97  101  104  105  105  107  107 
LCS_GDT     Q   100_A     Q   100_A      3    6  109      3    3    7   12   17   33   47   61   73   84   91   96   99  101  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A      3   12  109      3    3    4   12   23   39   53   67   79   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   12  109      4   11   21   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   12  109      4   11   19   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   12  109      7   11   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   12  109      7   11   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   12  109      5   14   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   12  109      6   15   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   12  109      6   15   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   12  109      4   16   24   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   12  109      4   15   24   31   43   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   12  109      6   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A     11   12  109      6   16   25   36   46   61   72   80   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      6   12  109      3    4   19   29   37   50   66   79   85   87   93   96   99  101  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  39.63  (   8.44   15.29   95.16 )

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     16     25     36     46     61     72     80     85     87     93     96     99    101    104    105    105    106    107    107 
GDT PERCENT_AT   7.14  14.29  22.32  32.14  41.07  54.46  64.29  71.43  75.89  77.68  83.04  85.71  88.39  90.18  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.34   0.59   1.20   1.44   1.75   2.24   2.44   2.64   2.78   2.86   3.28   3.36   3.49   3.78   3.89   3.96   3.96   4.12   4.26   4.26
GDT RMS_ALL_AT   8.18   8.33   7.99   8.43   7.92   7.12   7.18   7.18   7.26   7.20   6.77   6.80   6.86   6.57   6.61   6.63   6.63   6.57   6.50   6.50

# 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    29.115     0    0.227   0.250    29.309    0.000    0.000
LGA    M     3_A      M     3_A    30.492     0    0.054   0.126    35.981    0.000    0.000
LGA    G     4_A      G     4_A    29.147     0    0.678   0.678    29.147    0.000    0.000
LGA    L     5_A      L     5_A    22.513     0    0.132   1.112    24.831    0.000    0.000
LGA    L     6_A      L     6_A    19.706     0    0.337   1.023    24.346    0.000    0.000
LGA    P     7_A      P     7_A    14.416     0    0.363   0.331    19.043    0.000    0.000
LGA    L     8_A      L     8_A    10.343     0    0.021   0.947    11.807    2.976    1.488
LGA    K     9_A      K     9_A     6.393     0    0.071   1.032     7.867   17.976   17.566
LGA    V    10_A      V    10_A     3.125     0    0.021   0.207     4.165   54.167   50.544
LGA    T    11_A      T    11_A     1.293     0    0.039   1.285     3.185   71.429   69.864
LGA    H    12_A      H    12_A     3.654     0    0.659   1.593    10.189   55.595   29.238
LGA    T    13_A      T    13_A     3.058     0    0.127   0.351     4.569   53.810   48.571
LGA    T    14_A      T    14_A     2.167     0    0.054   0.113     3.314   66.786   61.633
LGA    L    15_A      L    15_A     1.515     0    0.055   0.134     2.489   68.810   77.381
LGA    C    16_A      C    16_A     3.002     0    0.008   0.170     4.982   63.095   53.492
LGA    W    17_A      W    17_A     2.155     0    0.691   0.566     4.037   54.048   70.000
LGA    G    18_A      G    18_A     3.091     0    0.086   0.086     3.091   55.357   55.357
LGA    S    19_A      S    19_A     3.136     0    0.021   0.035     3.948   57.381   52.698
LGA    T    20_A      T    20_A     2.354     0    0.035   0.076     3.734   55.595   60.816
LGA    K    21_A      K    21_A     3.417     0    0.076   0.920     4.842   51.786   42.381
LGA    L    22_A      L    22_A     3.865     0    0.065   0.107     5.078   36.071   38.988
LGA    R    23_A      R    23_A     5.749     0    0.057   1.340     7.641   25.119   21.385
LGA    T    24_A      T    24_A     4.252     0    0.136   0.747     4.520   40.476   40.816
LGA    D    25_A      D    25_A     3.916     0    0.061   1.156     7.861   45.119   31.905
LGA    V    26_A      V    26_A     1.995     0    0.055   1.202     3.238   64.881   65.102
LGA    R    27_A      R    27_A     2.213     0    0.052   0.450     7.059   68.810   43.680
LGA    K    28_A      K    28_A     1.892     0    0.033   1.244     3.132   70.833   67.725
LGA    S    29_A      S    29_A     2.052     0    0.011   0.178     2.311   66.786   66.111
LGA    M    30_A      M    30_A     2.103     0    0.044   1.161     6.606   68.810   52.560
LGA    Q    31_A      Q    31_A     1.916     0    0.060   1.050     3.816   70.833   59.312
LGA    V    32_A      V    32_A     1.966     0    0.069   1.031     3.656   75.000   68.707
LGA    K    33_A      K    33_A     2.664     0    0.037   1.274     6.822   50.357   36.190
LGA    N    34_A      N    34_A     4.066     0    0.104   0.440     8.247   58.690   39.286
LGA    T    35_A      T    35_A     4.073     0    0.546   0.468     7.046   45.357   31.701
LGA    A    36_A      A    36_A     2.744     0    0.017   0.030     3.456   61.190   60.381
LGA    D    37_A      D    37_A     1.413     0    0.085   0.915     5.993   75.000   57.857
LGA    K    38_A      K    38_A     2.721     0    0.017   0.606     7.462   64.881   46.349
LGA    R    39_A      R    39_A     3.025     0    0.167   0.940     9.348   53.571   29.481
LGA    L    40_A      L    40_A     3.585     0    0.045   0.865     6.571   46.667   35.595
LGA    V    41_A      V    41_A     3.195     0    0.076   0.105     3.330   50.000   51.020
LGA    I    42_A      I    42_A     3.122     0    0.064   0.684     5.770   50.000   46.429
LGA    R    43_A      R    43_A     2.925     0    0.078   1.240     6.169   57.143   56.061
LGA    L    44_A      L    44_A     2.908     0    0.053   0.706     5.098   55.357   48.095
LGA    G    45_A      G    45_A     3.203     0    0.051   0.051     3.203   53.571   53.571
LGA    I    46_A      I    46_A     3.146     0    0.062   1.229     4.982   46.667   43.750
LGA    Q    47_A      Q    47_A     4.218     0    0.059   1.379     9.632   37.262   26.402
LGA    G    48_A      G    48_A     6.068     0    0.252   0.252     6.401   20.476   20.476
LGA    P    49_A      P    49_A     8.596     0    0.019   0.046    11.134    4.881    2.857
LGA    G    50_A      G    50_A     5.903     0    0.295   0.295     6.858   25.833   25.833
LGA    F    51_A      F    51_A     2.576     0    0.014   1.214     8.050   72.738   42.641
LGA    Q    52_A      Q    52_A     2.046     0    0.178   1.049    10.064   82.024   44.339
LGA    L    53_A      L    53_A     2.491     0    0.323   0.599     3.774   59.405   52.202
LGA    V    54_A      V    54_A     2.099     0    0.094   1.043     3.873   68.810   58.844
LGA    G    55_A      G    55_A     2.064     0    0.667   0.667     2.064   70.833   70.833
LGA    T    56_A      T    56_A     4.055     0    0.309   1.029     7.243   29.643   25.170
LGA    D    57_A      D    57_A     7.976     0    0.593   0.695    10.811   11.071    5.833
LGA    S    58_A      S    58_A     6.840     0    0.065   0.686     7.252   11.667   11.667
LGA    S    59_A      S    59_A     7.232     0    0.255   0.495     8.229   14.524   11.667
LGA    T    60_A      T    60_A     3.205     0    0.622   1.287     5.908   36.429   52.109
LGA    I    61_A      I    61_A     5.023     0    0.159   0.179     7.530   37.500   25.595
LGA    T    62_A      T    62_A     4.479     0    0.210   0.241     4.773   34.286   33.878
LGA    L    63_A      L    63_A     3.260     0    0.209   0.905     4.694   50.119   43.690
LGA    Q    64_A      Q    64_A     4.506     0    0.047   1.183     6.863   42.143   32.698
LGA    A    65_A      A    65_A     5.949     0    0.633   0.586     7.524   24.048   20.667
LGA    M    66_A      M    66_A     2.490     0    0.164   1.129     6.833   57.262   46.607
LGA    E    67_A      E    67_A     2.963     0    0.191   0.988     3.531   65.119   58.413
LGA    C    68_A      C    68_A     3.161     0    0.018   0.782     6.347   43.690   38.175
LGA    R    69_A      R    69_A     3.359     0    0.071   1.556     8.255   59.286   36.104
LGA    S    70_A      S    70_A     2.475     0    0.025   0.172     3.133   59.167   58.492
LGA    V    71_A      V    71_A     2.207     0    0.080   1.043     4.280   66.786   65.646
LGA    V    72_A      V    72_A     1.829     0    0.041   0.113     2.274   68.810   72.993
LGA    I    73_A      I    73_A     2.281     0    0.037   0.137     2.545   64.762   63.810
LGA    N    74_A      N    74_A     2.376     0    0.075   0.910     3.256   59.167   62.024
LGA    F    75_A      F    75_A     2.481     0    0.052   0.838     2.606   62.857   69.394
LGA    C    76_A      C    76_A     3.212     0    0.134   0.808     4.171   48.571   53.175
LGA    P    77_A      P    77_A     2.690     0    0.103   0.117     3.225   53.571   63.061
LGA    T    78_A      T    78_A     4.499     0    0.097   0.147     5.646   35.952   31.088
LGA    V    79_A      V    79_A     3.604     0    0.014   1.173     6.685   56.071   44.626
LGA    C    80_A      C    80_A     1.132     0    0.139   0.858     3.749   81.548   73.730
LGA    G    81_A      G    81_A     3.089     0    0.051   0.051     3.089   63.214   63.214
LGA    A    82_A      A    82_A     3.669     0    0.261   0.302     4.365   46.667   44.762
LGA    A    83_A      A    83_A     3.072     0    0.024   0.031     3.705   51.786   50.095
LGA    I    84_A      I    84_A     2.818     0    0.063   1.091     3.946   59.048   52.917
LGA    G    85_A      G    85_A     2.500     0    0.007   0.007     2.733   66.905   66.905
LGA    A    86_A      A    86_A     1.119     0    0.005   0.012     1.708   79.286   81.524
LGA    L    87_A      L    87_A     1.507     0    0.102   0.207     2.688   75.000   68.988
LGA    S    88_A      S    88_A     1.566     0    0.056   0.071     1.847   75.000   74.286
LGA    F    89_A      F    89_A     2.223     0    0.112   0.573     5.087   62.857   50.346
LGA    Y    90_A      Y    90_A     2.007     0    0.035   1.242    10.993   59.167   35.000
LGA    A    91_A      A    91_A     3.227     0    0.015   0.048     3.655   48.452   48.762
LGA    P    92_A      P    92_A     5.392     0    0.041   0.059     6.453   28.810   25.102
LGA    P    93_A      P    93_A     6.731     0    0.606   0.577     8.974   14.286   11.020
LGA    G    94_A      G    94_A     8.157     0    0.677   0.677     8.157   10.833   10.833
LGA    A    95_A      A    95_A     7.325     0    0.520   0.543    10.004    6.071    5.429
LGA    H    96_A      H    96_A     7.989     0    0.007   0.177    13.186    9.643    5.048
LGA    N    97_A      N    97_A    11.108     0    0.424   1.181    12.763    0.000    0.000
LGA    S    98_A      S    98_A    11.135     0    0.658   0.713    13.136    0.000    0.000
LGA    N    99_A      N    99_A    14.590     0    0.526   0.832    20.299    0.000    0.000
LGA    Q   100_A      Q   100_A     8.927     0    0.360   1.392    13.356    3.690    2.169
LGA    P   101_A      P   101_A     6.152     0    0.225   0.334     8.950   33.571   21.429
LGA    G   102_A      G   102_A     2.405     0    0.369   0.369     4.841   52.738   52.738
LGA    L   103_A      L   103_A     2.146     0    0.030   1.329     6.285   72.976   58.333
LGA    E   104_A      E   104_A     1.350     0    0.041   0.180     1.773   77.143   78.571
LGA    I   105_A      I   105_A     0.650     0    0.071   0.610     2.291   92.857   88.452
LGA    P   106_A      P   106_A     0.592     0    0.089   0.404     2.146   97.619   89.592
LGA    L   107_A      L   107_A     0.297     0    0.202   1.294     3.331   95.357   84.524
LGA    Y   108_A      Y   108_A     0.666     0    0.016   1.394     9.363   90.476   55.476
LGA    G   109_A      G   109_A     0.862     0    0.207   0.207     2.649   79.881   79.881
LGA    Y   110_A      Y   110_A     1.614     0    0.214   1.152    10.238   81.548   42.183
LGA    G   111_A      G   111_A     0.952     0    0.199   0.199     1.864   86.190   86.190
LGA    G   112_A      G   112_A     1.665     0    0.112   0.112     4.224   60.357   60.357
LGA    S   113_A      S   113_A     4.512     0    0.045   0.636     6.002   33.452   29.524

# 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):     6.177          6.098                  6.573           48.761   43.317

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     80    2.64    52.902    46.946     2.915

LGA_LOCAL      RMSD:   2.644  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.180  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.177  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.191032 * X  +  -0.089869 * Y  +   0.977461 * Z  +   0.762659
  Y_new =  -0.827238 * X  +   0.521291 * Y  +   0.209601 * Z  + -12.163700
  Z_new =  -0.528379 * X  +  -0.848634 * Y  +   0.025240 * Z  + -38.673164 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.343848  0.556690 -1.541064   [DEG:  -76.9968   31.8960  -88.2964 ]
ZXZ:  1.782031  1.545554 -2.584705   [DEG:  102.1029   88.5537 -148.0927 ]
 
# END of job
