
#######################################################
#                                                     #
#                        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:   112       2_A - 113_A       4.87     4.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      10_A - 36_A        1.93     5.99
  LONGEST_CONTINUOUS_SEGMENT:    27      11_A - 37_A        1.99     5.87
  LONGEST_CONTINUOUS_SEGMENT:    27      14_A - 40_A        2.00     5.34
  LCS_AVERAGE:     17.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      17_A - 30_A        0.97     7.37
  LONGEST_CONTINUOUS_SEGMENT:    14      18_A - 31_A        0.94     6.93
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.86     7.05
  LCS_AVERAGE:      8.80

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   10  112      3    3    7    8    9   12   17   20   22   28   30   35   56   62   68   77   87  101  104  106 
LCS_GDT     M     3_A     M     3_A      3   10  112      3    3    3    6    9   10   13   17   19   28   30   49   57   62   68   78   94  101  106  108 
LCS_GDT     G     4_A     G     4_A      5   10  112      3    5    7    8    9   12   17   20   32   38   47   55   61   68   79   99  102  106  108  110 
LCS_GDT     L     5_A     L     5_A      5   10  112      4    5    7    8   10   12   17   20   32   39   47   55   62   68   80   99  102  106  108  110 
LCS_GDT     L     6_A     L     6_A      6   10  112      4    5    7    8   10   18   25   35   42   48   57   64   79   97  102  106  107  107  108  110 
LCS_GDT     P     7_A     P     7_A      7   10  112      4    5    7    8   10   13   25   30   42   47   56   64   74   94  102  106  107  107  108  110 
LCS_GDT     L     8_A     L     8_A      7   10  112      4    6    7    8   10   18   27   36   48   56   68   88   98  105  105  106  107  107  108  110 
LCS_GDT     K     9_A     K     9_A      7   10  112      4    6    7    8   22   34   55   68   84   94  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    10_A     V    10_A      7   27  112      4    6   14   32   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    11_A     T    11_A      7   27  112      6   14   22   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     H    12_A     H    12_A     10   27  112      5   16   24   33   43   55   78   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    13_A     T    13_A     10   27  112      5    6   24   35   45   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    14_A     T    14_A     10   27  112      5    9   24   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L    15_A     L    15_A     10   27  112      5    9   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     C    16_A     C    16_A     10   27  112      5    9   23   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     W    17_A     W    17_A     14   27  112      4   10   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G    18_A     G    18_A     14   27  112      3    7   20   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     S    19_A     S    19_A     14   27  112      4   13   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    20_A     T    20_A     14   27  112      7   18   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     K    21_A     K    21_A     14   27  112     11   18   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L    22_A     L    22_A     14   27  112     11   18   26   37   49   63   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     R    23_A     R    23_A     14   27  112     11   18   24   37   46   59   70   86   91   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    24_A     T    24_A     14   27  112     11   18   26   37   47   62   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     D    25_A     D    25_A     14   27  112     11   18   24   37   47   62   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    26_A     V    26_A     14   27  112     11   18   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     R    27_A     R    27_A     14   27  112      8   18   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     K    28_A     K    28_A     14   27  112      6   18   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     S    29_A     S    29_A     14   27  112      5   17   24   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     M    30_A     M    30_A     14   27  112      5   15   24   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     Q    31_A     Q    31_A     14   27  112      5   15   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    32_A     V    32_A     11   27  112      4   12   23   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     K    33_A     K    33_A     10   27  112      4   11   22   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     N    34_A     N    34_A      9   27  112      3    9   15   29   48   63   78   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    35_A     T    35_A     12   27  112      4    7   18   32   44   60   76   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     A    36_A     A    36_A     12   27  112      4   12   22   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     D    37_A     D    37_A     12   27  112      4   10   18   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     K    38_A     K    38_A     12   27  112      4   10   18   35   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     R    39_A     R    39_A     12   27  112      4   10   14   29   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L    40_A     L    40_A     12   27  112      4    9   14   29   43   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    41_A     V    41_A     12   19  112      4   10   14   29   43   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     I    42_A     I    42_A     12   19  112      4    6   14   29   43   59   78   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     R    43_A     R    43_A     12   19  112      4   10   15   29   43   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L    44_A     L    44_A     12   19  112      4    7   15   29   43   66   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G    45_A     G    45_A     12   19  112      4   10   15   30   45   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     I    46_A     I    46_A     12   19  112      4   10   14   30   45   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     Q    47_A     Q    47_A     12   19  112      4   10   14   26   43   66   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G    48_A     G    48_A     12   19  112      3    8   14   19   31   50   67   82   92   95  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     P    49_A     P    49_A      7   19  112      3    5    7   13   22   30   44   59   67   79   90   98  103  103  105  105  106  107  108  110 
LCS_GDT     G    50_A     G    50_A      5   19  112      3    5   10   19   31   50   64   80   92   95  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     F    51_A     F    51_A      5   17  112      3    5   24   35   48   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     Q    52_A     Q    52_A      6   12  112      3    8   15   30   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L    53_A     L    53_A      6   12  112      4    6   14   32   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    54_A     V    54_A      6    8  112      4    8   20   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G    55_A     G    55_A      6    8  112      4   10   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    56_A     T    56_A      6    8  112      4    6   14   28   47   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     D    57_A     D    57_A      6    8  112      3    6    7   10   10   20   44   62   78   89  100  103  104  105  105  106  107  107  108  110 
LCS_GDT     S    58_A     S    58_A      4    8  112      3    5   11   22   32   41   61   79   87   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     S    59_A     S    59_A      4    8  112      4    6   12   17   24   33   44   64   78   93  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    60_A     T    60_A      4    6  112      3    9   18   30   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     I    61_A     I    61_A      4    8  112      3    4   12   20   34   51   68   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    62_A     T    62_A      5    8  112      3    5    6   15   34   51   68   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L    63_A     L    63_A      5   19  112      3    5   14   28   43   59   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     Q    64_A     Q    64_A     11   21  112      3   10   19   25   43   61   76   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     A    65_A     A    65_A     12   22  112      3    5    5   19   26   40   52   83   91   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     M    66_A     M    66_A     14   23  112      4   14   26   37   49   65   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     E    67_A     E    67_A     14   23  112      4   14   26   37   49   65   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     C    68_A     C    68_A     14   23  112      3   14   26   37   49   65   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     R    69_A     R    69_A     14   23  112      4   14   21   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     S    70_A     S    70_A     14   23  112      4   14   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    71_A     V    71_A     14   23  112      6   14   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    72_A     V    72_A     14   23  112      6   14   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     I    73_A     I    73_A     14   23  112      6   15   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     N    74_A     N    74_A     14   23  112      6   17   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     F    75_A     F    75_A     14   23  112      4   18   24   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     C    76_A     C    76_A     14   23  112      3   18   24   35   46   62   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     P    77_A     P    77_A     14   23  112     11   18   24   35   48   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     T    78_A     T    78_A     14   23  112      3   18   23   35   44   61   71   86   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     V    79_A     V    79_A     14   23  112      4   17   23   37   47   62   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     C    80_A     C    80_A     11   23  112     11   18   24   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G    81_A     G    81_A     11   23  112      4   10   24   35   48   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     A    82_A     A    82_A     11   23  112      4    9   23   30   45   66   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     A    83_A     A    83_A     10   23  112      3    7   24   33   46   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     I    84_A     I    84_A      8   23  112      4   17   24   35   47   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G    85_A     G    85_A      8   23  112      5   15   24   35   48   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     A    86_A     A    86_A      8   23  112      5   15   24   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L    87_A     L    87_A      8   23  112      5   10   18   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     S    88_A     S    88_A      8   23  112      5   10   18   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     F    89_A     F    89_A      8   15  112      3    8   15   29   44   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     Y    90_A     Y    90_A      8   15  112      3    7   15   29   46   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     A    91_A     A    91_A      8   15  112      3    7   14   23   32   54   72   86   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     P    92_A     P    92_A      7   15  112      3   10   16   29   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     P    93_A     P    93_A      7   15  112      3    6   10   21   45   67   79   87   93   96  101  103  104  105  105  105  107  107  108  110 
LCS_GDT     G    94_A     G    94_A      7   15  112      3    7   15   29   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     A    95_A     A    95_A      3   15  112      3   10   18   30   48   64   78   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     H    96_A     H    96_A      5    6  112      3    3    5   23   34   45   66   81   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     N    97_A     N    97_A      5    8  112      4    8   16   24   36   54   70   82   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     S    98_A     S    98_A      5   14  112      4   11   18   23   37   57   71   83   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     N    99_A     N    99_A      5   14  112      4    4   16   23   32   45   54   68   83   92   97  103  104  105  105  106  107  107  108  110 
LCS_GDT     Q   100_A     Q   100_A      5   14  112      4    4    5   10   11   17   43   58   83   87   94  101  104  105  105  106  107  107  108  110 
LCS_GDT     P   101_A     P   101_A     11   14  112      4    9   17   30   48   64   78   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G   102_A     G   102_A     11   14  112      7   10   20   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L   103_A     L   103_A     11   14  112      5    9   18   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     E   104_A     E   104_A     11   14  112      7   10   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     I   105_A     I   105_A     11   14  112      7   10   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     P   106_A     P   106_A     11   14  112      7   10   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     L   107_A     L   107_A     11   14  112      7   15   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     Y   108_A     Y   108_A     11   14  112      5   15   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G   109_A     G   109_A     11   14  112      5   18   24   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     Y   110_A     Y   110_A     11   14  112     11   18   24   36   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G   111_A     G   111_A     11   14  112     11   18   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     G   112_A     G   112_A     11   14  112     11   18   26   37   49   67   79   87   93   96  101  103  104  105  105  106  107  107  108  110 
LCS_GDT     S   113_A     S   113_A      3   13  112      3    3    4    7   18   25   58   84   92   96  101  103  104  105  105  106  107  107  108  110 
LCS_AVERAGE  LCS_A:  41.98  (   8.80   17.15  100.00 )

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     11     18     26     37     49     67     79     87     93     96    101    103    104    105    105    106    107    107    108    110 
GDT PERCENT_AT   9.82  16.07  23.21  33.04  43.75  59.82  70.54  77.68  83.04  85.71  90.18  91.96  92.86  93.75  93.75  94.64  95.54  95.54  96.43  98.21
GDT RMS_LOCAL    0.31   0.55   1.13   1.37   1.81   2.24   2.44   2.58   2.79   2.88   3.11   3.23   3.30   3.41   3.39   3.76   3.77   3.77   3.85   4.34
GDT RMS_ALL_AT  12.25  10.98   6.57   6.58   5.57   5.41   5.57   5.44   5.33   5.35   5.32   5.26   5.23   5.18   5.24   5.04   5.06   5.06   5.07   4.93

# Checking swapping
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  Y    90_A      Y    90_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    22.669     0    0.371   0.412    24.082    0.000    0.000
LGA    M     3_A      M     3_A    20.537     0    0.119   0.955    25.866    0.000    0.000
LGA    G     4_A      G     4_A    18.331     0    0.104   0.104    18.331    0.000    0.000
LGA    L     5_A      L     5_A    17.383     0    0.065   0.835    18.357    0.000    0.000
LGA    L     6_A      L     6_A    13.872     0    0.183   1.231    15.563    0.000    0.000
LGA    P     7_A      P     7_A    13.202     0    0.140   0.454    15.159    0.000    0.000
LGA    L     8_A      L     8_A    10.269     0    0.119   1.249    13.075    1.905    1.012
LGA    K     9_A      K     9_A     6.517     0    0.057   0.982     8.418   17.024   12.275
LGA    V    10_A      V    10_A     2.930     0    0.047   1.338     4.473   57.976   52.789
LGA    T    11_A      T    11_A     1.802     0    0.131   1.177     3.716   65.595   64.218
LGA    H    12_A      H    12_A     3.590     0    0.649   1.610    10.629   57.619   28.619
LGA    T    13_A      T    13_A     2.926     0    0.042   1.364     6.210   65.357   51.293
LGA    T    14_A      T    14_A     1.420     0    0.137   1.111     3.763   79.286   72.381
LGA    L    15_A      L    15_A     1.152     0    0.068   0.218     2.129   75.119   85.179
LGA    C    16_A      C    16_A     2.388     0    0.061   0.624     3.865   70.833   62.778
LGA    W    17_A      W    17_A     1.707     0    0.613   0.580     3.199   65.119   75.034
LGA    G    18_A      G    18_A     2.678     0    0.106   0.106     2.678   62.857   62.857
LGA    S    19_A      S    19_A     2.714     0    0.088   0.640     3.143   62.976   61.111
LGA    T    20_A      T    20_A     2.261     0    0.050   1.006     3.427   59.167   59.456
LGA    K    21_A      K    21_A     2.943     0    0.033   1.295     3.835   57.143   63.704
LGA    L    22_A      L    22_A     3.169     0    0.046   0.158     4.021   46.905   49.345
LGA    R    23_A      R    23_A     4.550     0    0.042   1.321     9.506   34.524   23.074
LGA    T    24_A      T    24_A     3.743     0    0.069   0.209     4.334   48.452   48.435
LGA    D    25_A      D    25_A     3.357     0    0.113   1.022     7.803   51.905   34.881
LGA    V    26_A      V    26_A     1.999     0    0.073   1.192     3.959   66.786   65.170
LGA    R    27_A      R    27_A     2.098     0    0.090   1.687    11.078   68.810   36.147
LGA    K    28_A      K    28_A     1.711     0    0.061   1.059     2.934   72.857   66.720
LGA    S    29_A      S    29_A     2.072     0    0.073   0.165     2.414   66.786   66.111
LGA    M    30_A      M    30_A     2.143     0    0.060   1.301     7.291   68.810   50.833
LGA    Q    31_A      Q    31_A     1.778     0    0.044   1.110     6.513   68.810   48.571
LGA    V    32_A      V    32_A     2.164     0    0.061   0.080     2.975   70.952   68.367
LGA    K    33_A      K    33_A     2.635     0    0.064   1.536     6.636   50.357   37.302
LGA    N    34_A      N    34_A     3.672     0    0.063   0.339     7.732   59.762   41.310
LGA    T    35_A      T    35_A     3.761     0    0.591   1.280     7.030   54.167   38.503
LGA    A    36_A      A    36_A     2.467     0    0.021   0.036     3.226   63.095   61.905
LGA    D    37_A      D    37_A     1.564     0    0.107   0.897     5.602   71.071   54.226
LGA    K    38_A      K    38_A     1.905     0    0.035   0.880     7.426   75.000   52.593
LGA    R    39_A      R    39_A     2.464     0    0.247   1.100     6.316   60.952   47.489
LGA    L    40_A      L    40_A     2.974     0    0.086   1.026     4.912   57.143   48.095
LGA    V    41_A      V    41_A     2.991     0    0.139   1.089     5.503   50.119   45.986
LGA    I    42_A      I    42_A     3.474     0    0.042   0.678     6.910   50.000   40.655
LGA    R    43_A      R    43_A     3.077     0    0.068   0.861     4.025   50.000   51.126
LGA    L    44_A      L    44_A     3.048     0    0.042   0.699     5.282   51.786   45.476
LGA    G    45_A      G    45_A     3.118     0    0.053   0.053     3.118   51.786   51.786
LGA    I    46_A      I    46_A     3.443     0    0.073   1.442     5.975   45.119   39.940
LGA    Q    47_A      Q    47_A     4.225     0    0.075   1.336     9.625   35.833   24.127
LGA    G    48_A      G    48_A     5.820     0    0.322   0.322     6.319   21.548   21.548
LGA    P    49_A      P    49_A     9.063     0    0.655   0.765    11.537    8.333    4.830
LGA    G    50_A      G    50_A     5.751     0    0.536   0.536     7.154   21.071   21.071
LGA    F    51_A      F    51_A     2.492     0    0.089   1.286     6.670   73.929   43.766
LGA    Q    52_A      Q    52_A     2.520     0    0.213   1.256     8.880   73.452   41.217
LGA    L    53_A      L    53_A     2.726     0    0.367   0.709     3.872   53.690   49.345
LGA    V    54_A      V    54_A     1.829     0    0.107   0.129     3.141   68.929   62.857
LGA    G    55_A      G    55_A     1.836     0    0.281   0.281     1.836   75.000   75.000
LGA    T    56_A      T    56_A     3.272     0    0.402   0.408     5.218   43.929   38.639
LGA    D    57_A      D    57_A     6.896     0    0.588   0.818     9.911   21.905   11.607
LGA    S    58_A      S    58_A     5.952     0    0.084   0.686     6.479   18.214   21.905
LGA    S    59_A      S    59_A     6.647     0    0.081   0.348     7.423   18.452   15.635
LGA    T    60_A      T    60_A     2.417     0    0.647   1.308     4.526   47.381   59.660
LGA    I    61_A      I    61_A     3.890     0    0.152   1.347     5.124   46.786   38.512
LGA    T    62_A      T    62_A     3.821     0    0.246   0.229     4.151   41.786   41.565
LGA    L    63_A      L    63_A     3.137     0    0.227   1.190     5.541   53.571   42.083
LGA    Q    64_A      Q    64_A     3.820     0    0.076   0.882     6.411   48.452   35.767
LGA    A    65_A      A    65_A     5.228     0    0.639   0.593     6.549   27.619   24.762
LGA    M    66_A      M    66_A     2.614     0    0.282   1.036     5.527   57.143   49.226
LGA    E    67_A      E    67_A     2.955     0    0.158   0.921     3.714   65.119   58.413
LGA    C    68_A      C    68_A     2.639     0    0.047   0.733     6.715   51.905   45.159
LGA    R    69_A      R    69_A     2.541     0    0.151   1.169     3.613   66.905   59.567
LGA    S    70_A      S    70_A     1.936     0    0.056   0.720     4.270   68.810   62.857
LGA    V    71_A      V    71_A     2.008     0    0.139   0.222     2.516   70.833   68.299
LGA    V    72_A      V    72_A     1.670     0    0.086   0.156     2.173   70.833   76.667
LGA    I    73_A      I    73_A     2.208     0    0.047   1.717     3.564   66.786   63.333
LGA    N    74_A      N    74_A     2.317     0    0.075   1.208     3.696   60.952   61.190
LGA    F    75_A      F    75_A     2.635     0    0.053   0.807     2.880   59.048   68.658
LGA    C    76_A      C    76_A     3.723     0    0.196   0.674     4.911   42.024   40.476
LGA    P    77_A      P    77_A     2.710     0    0.073   0.083     3.464   53.571   61.837
LGA    T    78_A      T    78_A     4.389     0    0.133   1.080     5.661   35.952   32.653
LGA    V    79_A      V    79_A     3.430     0    0.059   1.051     5.932   57.738   49.524
LGA    C    80_A      C    80_A     0.648     0    0.093   0.799     2.486   86.071   81.746
LGA    G    81_A      G    81_A     2.839     0    0.062   0.062     2.839   65.000   65.000
LGA    A    82_A      A    82_A     3.980     0    0.353   0.388     5.031   45.000   41.238
LGA    A    83_A      A    83_A     3.232     0    0.076   0.076     3.619   48.333   47.333
LGA    I    84_A      I    84_A     2.823     0    0.081   0.148     2.870   57.143   58.095
LGA    G    85_A      G    85_A     2.486     0    0.069   0.069     2.605   66.905   66.905
LGA    A    86_A      A    86_A     1.386     0    0.033   0.048     1.915   79.286   79.714
LGA    L    87_A      L    87_A     1.478     0    0.097   0.813     3.710   79.286   70.417
LGA    S    88_A      S    88_A     1.487     0    0.064   0.720     1.971   77.143   77.143
LGA    F    89_A      F    89_A     2.649     0    0.151   0.696     6.145   57.262   43.117
LGA    Y    90_A      Y    90_A     2.378     0    0.105   1.253    10.445   59.167   35.159
LGA    A    91_A      A    91_A     4.134     0    0.135   0.197     5.887   50.595   44.762
LGA    P    92_A      P    92_A     2.773     0    0.069   0.375     7.127   53.810   38.980
LGA    P    93_A      P    93_A     3.130     0    0.604   0.558     5.795   57.381   44.898
LGA    G    94_A      G    94_A     2.175     0    0.559   0.559     3.980   59.524   59.524
LGA    A    95_A      A    95_A     3.678     0    0.193   0.182     5.864   38.333   34.952
LGA    H    96_A      H    96_A     5.909     0    0.563   0.825    10.672   20.714   12.667
LGA    N    97_A      N    97_A     5.959     0    0.572   1.130     9.765   19.405   14.583
LGA    S    98_A      S    98_A     5.442     0    0.119   0.697     7.717   17.024   21.825
LGA    N    99_A      N    99_A     8.300     0    0.368   1.367     8.870    6.429    5.655
LGA    Q   100_A      Q   100_A     8.368     0    0.302   0.868    15.906   10.952    4.868
LGA    P   101_A      P   101_A     3.226     0    0.117   0.293     5.524   38.095   38.299
LGA    G   102_A      G   102_A     1.665     0    0.359   0.359     2.741   71.071   71.071
LGA    L   103_A      L   103_A     1.995     0    0.049   0.926     4.884   75.000   66.845
LGA    E   104_A      E   104_A     1.204     0    0.058   1.117     6.141   77.143   61.376
LGA    I   105_A      I   105_A     0.776     0    0.059   0.091     0.920   90.476   90.476
LGA    P   106_A      P   106_A     0.653     0    0.154   0.453     1.776   90.476   87.959
LGA    L   107_A      L   107_A     0.283     0    0.255   1.310     3.210   95.357   85.655
LGA    Y   108_A      Y   108_A     0.752     0    0.112   0.263     0.980   90.476   92.857
LGA    G   109_A      G   109_A     1.489     0    0.212   0.212     2.068   75.119   75.119
LGA    Y   110_A      Y   110_A     1.322     0    0.109   1.539    11.673   85.952   43.333
LGA    G   111_A      G   111_A     0.746     0    0.050   0.050     1.277   88.333   88.333
LGA    G   112_A      G   112_A     2.053     0    0.204   0.204     3.603   61.429   61.429
LGA    S   113_A      S   113_A     5.103     0    0.211   0.650     7.799   42.619   31.270

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     4.869          4.778                  5.423           52.837   47.153

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     87    2.58    55.357    50.371     3.245

LGA_LOCAL      RMSD:   2.581  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.438  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   4.869  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.615591 * X  +  -0.673443 * Y  +   0.409295 * Z  +  -1.121624
  Y_new =  -0.627876 * X  +  -0.105252 * Y  +   0.771164 * Z  + -56.872807
  Z_new =  -0.476256 * X  +  -0.731708 * Y  +  -0.487631 * Z  +  18.871035 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.795277  0.496391 -2.158633   [DEG:  -45.5660   28.4411 -123.6806 ]
ZXZ:  2.653649  2.080170 -2.564598   [DEG:  152.0429  119.1850 -146.9406 ]
 
# END of job
