
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  113 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  112 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       5_A - 113_A       4.90     6.38
  LCS_AVERAGE:     95.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        1.95     8.19
  LCS_AVERAGE:     15.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.87     8.60
  LCS_AVERAGE:      8.40

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    9   10   17   18   32   37   41   44   53 
LCS_GDT     M     3_A     M     3_A      3    7   19      3    3    3    4    6    8    8   12   13   14   16   24   32   33   36   37   39   46   53   59 
LCS_GDT     G     4_A     G     4_A      4    7   19      3    4    4    5    6    8   10   12   13   14   16   24   26   29   36   37   39   41   44   53 
LCS_GDT     L     5_A     L     5_A      4    7  109      3    4    4    5    6    8   10   12   18   20   24   26   35   38   48   52   63   65   83   88 
LCS_GDT     L     6_A     L     6_A      4    7  109      3    4    4    6    6    8   10   12   14   20   24   26   37   43   49   55   63   81   88   97 
LCS_GDT     P     7_A     P     7_A      7    8  109      4    6    7    7    8    8   10   12   21   33   41   47   58   78   86   99  104  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    8  109      4    6    7    7    8   10   20   32   42   59   70   88   97  101  104  105  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    8  109      4    6    7   10   20   35   52   66   79   86   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   13   25   41   60   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   24  109      3   13   20   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   24  109      7   18   23   29   42   54   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   24  109      7   13   22   29   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   24  109      7   13   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     11   24  109      7   13   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     11   24  109      7   13   22   29   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     W    17_A     W    17_A     12   24  109      6   13   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     12   24  109      4   13   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     12   24  109      4   13   22   36   47   57   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     12   24  109      4   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     12   24  109      6   18   23   36   47   55   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     12   24  109      6   18   23   36   47   55   67   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     12   24  109      4   14   22   29   36   46   55   65   81   86   89   93   98  101  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     12   24  109      6   18   23   30   45   55   67   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     12   24  109      6   18   23   30   45   55   68   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     12   24  109      8   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     12   24  109      8   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     12   24  109      8   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     12   24  109      8   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     12   24  109      8   17   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     12   24  109      8   16   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      8   24  109      5   11   16   30   45   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      8   24  109      5    9   16   28   43   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      7   22  109      5   10   14   24   38   58   69   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A      9   22  109      3    8   16   22   37   53   70   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   22  109      4   10   16   30   43   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   21  109      5   11   16   30   44   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   20  109      4   11   18   28   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   20  109      4   11   18   28   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   20  109      6    6   18   28   36   56   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   20  109      6   11   18   28   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   20  109      6   11   18   28   41   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   20  109      6   11   18   28   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   20  109      6   11   18   28   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   20  109      3   11   15   28   41   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   20  109      3   11   16   28   41   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   20  109      4   11   15   24   40   57   69   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   20  109      4   11   15   20   30   46   59   69   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   13   17   23   32   45   57   67   74   84   90   96   99  102  105  105  106  107  107 
LCS_GDT     G    50_A     G    50_A      9   20  109      4   10   15   22   34   47   59   70   80   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   29   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      4   15  109      3    5   13   32   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      4   14  109      3    5   13   26   44   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      4    7  109      3    9   17   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      4    7  109      3    5   13   31   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      4    7  109      1    8   13   24   39   60   71   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      4    7  109      3    4    4    7    8   12   36   47   63   78   86   92   99  101  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    7  109      3    4   10   19   26   36   52   65   74   85   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    6  109      4    5    8   17   21   28   35   56   74   85   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    6  109      6   10   18   28   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    4    6   17   23   33   52   64   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   33   56   72   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5   11   22   44   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A      5   18  109      5   11   18   22   26   54   68   77   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   35   56   74   87   89   94   99  101  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      6   16   21   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      4   16   20   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      5   16   21   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      5   11   19   27   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   16   21   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      6   16   21   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      6   16   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      8   16   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      8   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      6   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      6   18   23   30   47   55   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      6   15   23   31   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      6   16   22   29   37   55   62   77   85   87   91   96   99  101  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      6   16   22   31   46   55   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     11   22  109      6   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A     11   22  109      3    7   18   28   42   61   71   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A     11   22  109      3    9   22   29   42   58   70   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A     10   22  109      3    7   22   29   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   22  109      5   18   23   29   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   22  109      5   11   23   29   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   22  109      5   15   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   22  109      5   11   18   35   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   13  109      5   11   18   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  109      5   11   18   30   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  109      4   11   18   30   45   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  109      4   11   18   28   42   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      8   13  109      4    6   13   22   38   52   66   75   82   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      7   13  109      3    5    8   17   29   46   57   71   79   86   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   10  109      3    4    6   13   25   37   52   66   76   86   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     A    95_A     A    95_A      4   10  109      3    3    4    5   23   40   54   65   78   86   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     H    96_A     H    96_A      4    8  109      3    3    5    8   25   34   49   63   77   86   92   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   15   24   44   59   71   84   92   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   35   48   62   74   86   92   98  101  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4    5  109      3    3    4    7    8   13   18   32   41   53   67   79   87   96  100  104  105  106  107  107 
LCS_GDT     Q   100_A     Q   100_A      4    6  109      3    3    7   12   17   35   48   62   73   84   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A      4   12  109      3    3    4   12   23   40   52   66   79   86   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   12  109      4   13   18   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   12  109      4   13   18   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   12  109      7   12   21   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   12  109      7   13   21   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   12  109      5   12   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   12  109      6   15   22   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   12  109      6   15   21   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   12  109      5   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   12  109      3   15   23   30   45   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   12  109      6   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A     11   12  109      6   18   23   36   47   61   72   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      6   12  109      3    6   22   29   37   52   66   79   85   87   92   96   99  101  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  39.61  (   8.40   15.25   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     18     23     36     47     61     72     79     85     87     92     96     99    101    104    105    105    106    107    107 
GDT PERCENT_AT   7.14  16.07  20.54  32.14  41.96  54.46  64.29  70.54  75.89  77.68  82.14  85.71  88.39  90.18  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.34   0.64   0.91   1.51   1.77   2.23   2.44   2.63   2.78   2.86   3.21   3.38   3.55   3.63   3.90   3.98   3.98   4.21   4.27   4.27
GDT RMS_ALL_AT   8.22  11.01  10.20   8.10   7.98   7.14   7.24   7.29   7.32   7.25   6.83   6.84   6.80   6.84   6.66   6.67   6.67   6.53   6.54   6.54

# 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
#   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    29.929     0    0.142   0.174    30.257    0.000    0.000
LGA    M     3_A      M     3_A    31.095     0    0.143   0.144    37.227    0.000    0.000
LGA    G     4_A      G     4_A    29.471     0    0.687   0.687    29.471    0.000    0.000
LGA    L     5_A      L     5_A    22.799     0    0.127   0.652    25.119    0.000    0.000
LGA    L     6_A      L     6_A    19.877     0    0.330   1.000    24.569    0.000    0.000
LGA    P     7_A      P     7_A    14.547     0    0.329   0.304    19.176    0.000    0.000
LGA    L     8_A      L     8_A    10.474     0    0.007   0.909    12.115    2.500    1.250
LGA    K     9_A      K     9_A     6.442     0    0.089   1.050     7.947   17.976   17.196
LGA    V    10_A      V    10_A     3.213     0    0.039   0.215     4.279   54.167   50.544
LGA    T    11_A      T    11_A     1.396     0    0.033   1.226     3.186   71.429   69.864
LGA    H    12_A      H    12_A     3.615     0    0.655   1.607    10.202   57.500   29.476
LGA    T    13_A      T    13_A     2.918     0    0.167   0.395     4.434   57.262   52.313
LGA    T    14_A      T    14_A     2.201     0    0.035   1.023     4.982   66.786   60.068
LGA    L    15_A      L    15_A     1.554     0    0.096   0.154     2.593   66.905   76.429
LGA    C    16_A      C    16_A     3.046     0    0.059   0.684     4.384   61.071   53.095
LGA    W    17_A      W    17_A     2.169     0    0.041   0.557     3.491   57.262   72.823
LGA    G    18_A      G    18_A     2.678     0    0.048   0.048     2.721   60.952   60.952
LGA    S    19_A      S    19_A     3.200     0    0.017   0.031     4.115   55.476   50.397
LGA    T    20_A      T    20_A     2.417     0    0.044   0.109     3.818   53.810   59.796
LGA    K    21_A      K    21_A     3.504     0    0.067   0.943     4.950   50.119   41.640
LGA    L    22_A      L    22_A     3.924     0    0.064   0.108     5.163   36.071   38.988
LGA    R    23_A      R    23_A     5.831     0    0.061   0.712     7.732   24.048   15.541
LGA    T    24_A      T    24_A     4.313     0    0.131   0.745     4.587   40.476   40.816
LGA    D    25_A      D    25_A     3.923     0    0.049   1.177     7.870   45.119   31.905
LGA    V    26_A      V    26_A     2.021     0    0.071   1.211     3.290   62.857   65.102
LGA    R    27_A      R    27_A     2.249     0    0.048   0.475     7.270   68.810   43.030
LGA    K    28_A      K    28_A     1.931     0    0.024   1.185     3.037   66.786   65.926
LGA    S    29_A      S    29_A     2.141     0    0.007   0.203     2.424   66.786   66.111
LGA    M    30_A      M    30_A     2.233     0    0.020   1.195     7.331   66.786   51.131
LGA    Q    31_A      Q    31_A     1.994     0    0.049   1.034     3.766   66.905   57.566
LGA    V    32_A      V    32_A     2.038     0    0.046   0.887     4.262   70.952   64.354
LGA    K    33_A      K    33_A     2.791     0    0.033   1.272     6.890   48.690   35.450
LGA    N    34_A      N    34_A     4.190     0    0.083   0.437     8.223   56.429   37.560
LGA    T    35_A      T    35_A     4.288     0    0.523   0.439     7.208   41.905   29.252
LGA    A    36_A      A    36_A     2.910     0    0.018   0.036     3.637   57.500   56.000
LGA    D    37_A      D    37_A     1.487     0    0.093   0.914     6.054   75.000   57.321
LGA    K    38_A      K    38_A     2.603     0    0.019   0.597     7.330   64.881   46.349
LGA    R    39_A      R    39_A     2.919     0    0.165   0.967     9.209   57.143   31.818
LGA    L    40_A      L    40_A     3.500     0    0.066   0.905     6.758   50.000   36.667
LGA    V    41_A      V    41_A     3.130     0    0.065   0.082     3.238   51.786   52.041
LGA    I    42_A      I    42_A     3.023     0    0.042   1.239     7.259   51.786   44.762
LGA    R    43_A      R    43_A     2.879     0    0.059   1.105     3.689   57.143   63.939
LGA    L    44_A      L    44_A     2.838     0    0.039   0.694     5.106   57.143   48.988
LGA    G    45_A      G    45_A     3.148     0    0.061   0.061     3.148   53.571   53.571
LGA    I    46_A      I    46_A     3.158     0    0.058   1.242     5.021   46.667   42.440
LGA    Q    47_A      Q    47_A     4.213     0    0.059   1.283     9.363   37.262   26.508
LGA    G    48_A      G    48_A     6.045     0    0.253   0.253     6.382   20.476   20.476
LGA    P    49_A      P    49_A     8.606     0    0.010   0.036    11.152    4.881    2.857
LGA    G    50_A      G    50_A     5.821     0    0.291   0.291     6.809   27.262   27.262
LGA    F    51_A      F    51_A     2.601     0    0.011   1.202     7.972   72.738   42.857
LGA    Q    52_A      Q    52_A     2.091     0    0.188   1.053    10.305   82.024   44.339
LGA    L    53_A      L    53_A     2.495     0    0.329   0.609     3.807   59.405   51.369
LGA    V    54_A      V    54_A     2.130     0    0.088   1.032     3.808   68.810   58.844
LGA    G    55_A      G    55_A     1.919     0    0.665   0.665     1.919   75.000   75.000
LGA    T    56_A      T    56_A     3.896     0    0.320   0.960     7.302   32.381   26.735
LGA    D    57_A      D    57_A     7.860     0    0.593   0.724    10.683   12.143    6.369
LGA    S    58_A      S    58_A     6.807     0    0.076   0.703     7.179   11.667   11.667
LGA    S    59_A      S    59_A     7.162     0    0.242   0.378     7.918   14.524   12.063
LGA    T    60_A      T    60_A     3.191     0    0.624   1.285     5.761   36.429   53.333
LGA    I    61_A      I    61_A     4.918     0    0.166   0.162     7.431   38.810   27.083
LGA    T    62_A      T    62_A     4.359     0    0.199   0.224     4.650   34.286   35.510
LGA    L    63_A      L    63_A     3.146     0    0.206   0.894     4.476   53.571   46.131
LGA    Q    64_A      Q    64_A     4.322     0    0.047   1.157     6.882   43.571   35.185
LGA    A    65_A      A    65_A     5.833     0    0.633   0.586     7.405   24.048   21.238
LGA    M    66_A      M    66_A     2.418     0    0.171   1.143     6.792   59.048   47.500
LGA    E    67_A      E    67_A     2.857     0    0.201   1.000     3.414   65.119   59.153
LGA    C    68_A      C    68_A     3.182     0    0.020   0.783     6.423   43.690   38.175
LGA    R    69_A      R    69_A     3.221     0    0.058   1.548     8.090   59.286   38.052
LGA    S    70_A      S    70_A     2.444     0    0.027   0.164     3.055   59.167   58.492
LGA    V    71_A      V    71_A     2.177     0    0.074   1.060     4.291   66.786   65.646
LGA    V    72_A      V    72_A     1.858     0    0.038   0.095     2.291   68.810   72.993
LGA    I    73_A      I    73_A     2.315     0    0.038   0.121     2.519   64.762   63.810
LGA    N    74_A      N    74_A     2.388     0    0.071   0.928     3.259   59.167   62.976
LGA    F    75_A      F    75_A     2.539     0    0.056   0.881     2.657   60.952   68.701
LGA    C    76_A      C    76_A     3.274     0    0.135   0.806     4.254   46.786   51.984
LGA    P    77_A      P    77_A     2.764     0    0.102   0.114     3.319   53.571   63.061
LGA    T    78_A      T    78_A     4.609     0    0.118   0.145     5.754   33.095   29.456
LGA    V    79_A      V    79_A     3.670     0    0.018   1.168     6.741   56.071   44.626
LGA    C    80_A      C    80_A     1.141     0    0.131   0.868     3.906   83.810   75.238
LGA    G    81_A      G    81_A     3.129     0    0.046   0.046     3.129   63.214   63.214
LGA    A    82_A      A    82_A     3.761     0    0.262   0.304     4.460   46.667   44.762
LGA    A    83_A      A    83_A     3.113     0    0.022   0.028     3.759   51.786   50.095
LGA    I    84_A      I    84_A     2.813     0    0.057   1.081     3.974   59.048   52.917
LGA    G    85_A      G    85_A     2.521     0    0.008   0.008     2.745   65.000   65.000
LGA    A    86_A      A    86_A     1.110     0    0.008   0.009     1.713   79.286   81.524
LGA    L    87_A      L    87_A     1.527     0    0.105   0.175     2.647   75.000   68.988
LGA    S    88_A      S    88_A     1.565     0    0.053   0.068     1.676   72.857   72.857
LGA    F    89_A      F    89_A     2.174     0    0.119   0.549     4.971   64.762   51.515
LGA    Y    90_A      Y    90_A     2.040     0    0.024   1.259    11.069   59.167   34.008
LGA    A    91_A      A    91_A     3.316     0    0.027   0.059     3.819   48.452   48.762
LGA    P    92_A      P    92_A     5.597     0    0.042   0.061     6.668   25.119   22.449
LGA    P    93_A      P    93_A     7.065     0    0.607   0.582     9.260   10.833    8.095
LGA    G    94_A      G    94_A     8.614     0    0.680   0.680     8.614    8.690    8.690
LGA    A    95_A      A    95_A     7.653     0    0.518   0.540    10.277    4.167    3.619
LGA    H    96_A      H    96_A     8.236     0    0.011   0.155    13.360    8.214    4.095
LGA    N    97_A      N    97_A    11.311     0    0.418   1.209    12.723    0.000    0.000
LGA    S    98_A      S    98_A    11.527     0    0.657   0.788    13.525    0.000    0.000
LGA    N    99_A      N    99_A    14.789     0    0.524   0.899    20.366    0.000    0.000
LGA    Q   100_A      Q   100_A     9.045     0    0.354   1.276    11.295    3.333    1.958
LGA    P   101_A      P   101_A     6.299     0    0.221   0.268     8.692   31.905   20.068
LGA    G   102_A      G   102_A     2.226     0    0.380   0.380     4.568   54.524   54.524
LGA    L   103_A      L   103_A     2.057     0    0.031   1.324     6.115   72.976   59.286
LGA    E   104_A      E   104_A     1.251     0    0.037   0.580     2.574   79.286   77.778
LGA    I   105_A      I   105_A     0.604     0    0.069   0.607     2.171   92.857   88.452
LGA    P   106_A      P   106_A     0.630     0    0.107   0.418     2.127   95.238   88.231
LGA    L   107_A      L   107_A     0.330     0    0.202   1.292     3.383   95.357   84.524
LGA    Y   108_A      Y   108_A     0.569     0    0.038   1.398     9.372   90.476   55.635
LGA    G   109_A      G   109_A     0.794     0    0.199   0.199     2.713   77.738   77.738
LGA    Y   110_A      Y   110_A     1.683     0    0.219   1.129    10.014   81.548   42.341
LGA    G   111_A      G   111_A     0.948     0    0.184   0.184     1.828   86.190   86.190
LGA    G   112_A      G   112_A     1.809     0    0.139   0.139     4.306   60.357   60.357
LGA    S   113_A      S   113_A     4.433     0    0.046   0.618     5.773   34.881   31.190

# 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):     6.215          6.140                  6.613           48.632   43.268

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     79    2.62    53.125    46.920     2.905

LGA_LOCAL      RMSD:   2.619  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.286  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.215  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.454688 * X  +  -0.868816 * Y  +   0.196003 * Z  +  -2.441593
  Y_new =   0.073089 * X  +   0.182927 * Y  +   0.980406 * Z  + -12.462297
  Z_new =  -0.887647 * X  +   0.460105 * Y  +  -0.019674 * Z  + -37.210228 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.982210  1.092209  1.613529   [DEG:  170.8681   62.5790   92.4484 ]
ZXZ:  2.944274  1.590471 -1.092583   [DEG:  168.6945   91.1273  -62.6004 ]
 
# END of job
