
#######################################################
#                                                     #
#                        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:   111       3_A - 113_A       4.88     5.19
  LCS_AVERAGE:     98.28

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      10_A - 36_A        1.94     6.15
  LONGEST_CONTINUOUS_SEGMENT:    27      11_A - 37_A        1.98     6.04
  LONGEST_CONTINUOUS_SEGMENT:    27      13_A - 39_A        1.97     5.61
  LONGEST_CONTINUOUS_SEGMENT:    27      14_A - 40_A        1.96     5.50
  LCS_AVERAGE:     16.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      17_A - 30_A        0.98     7.51
  LONGEST_CONTINUOUS_SEGMENT:    14      18_A - 31_A        0.94     7.12
  LONGEST_CONTINUOUS_SEGMENT:    14      66_A - 79_A        0.85     7.10
  LONGEST_CONTINUOUS_SEGMENT:    14      67_A - 80_A        0.97     8.52
  LCS_AVERAGE:      8.62

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     P     2_A     P     2_A      3    4    7      3    3    3    3    4    4    4    4    4    5    5    7    7    7    8   10   10   11   14   16 
LCS_GDT     M     3_A     M     3_A      3    4  111      3    3    3    3    4    4    4    5    6    6    7    8    8   16   22   22   23   24   36   45 
LCS_GDT     G     4_A     G     4_A      4    4  111      3    4    4    4    4    4    4    5    6    6    8    9   14   21   22   23   27   27   42   51 
LCS_GDT     L     5_A     L     5_A      4    4  111      3    4    4    4    4    4    7    9   11   12   14   15   22   31   34   47   50   77   98  103 
LCS_GDT     L     6_A     L     6_A      4    6  111      3    4    4    5    6    9   11   23   25   41   48   56   72   78   96   99  104  106  107  108 
LCS_GDT     P     7_A     P     7_A      7    8  111      5    7    7    7    8    9   11   12   13   20   34   41   53   73   86   99  106  107  107  108 
LCS_GDT     L     8_A     L     8_A      7    8  111      5    7    7    7    8   11   23   31   45   55   69   87   98  103  105  105  106  107  107  108 
LCS_GDT     K     9_A     K     9_A      7    8  111      5    7    7   10   23   35   48   67   85   94   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    10_A     V    10_A      7   27  111      5    7   16   33   47   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    11_A     T    11_A      7   27  111      5   14   21   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     H    12_A     H    12_A     10   27  111      5   19   25   31   40   53   72   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    13_A     T    13_A     10   27  111      5    8   22   31   43   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    14_A     T    14_A     10   27  111      5   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L    15_A     L    15_A     10   27  111      5   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     C    16_A     C    16_A     10   27  111      5   10   21   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     W    17_A     W    17_A     14   27  111      4   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G    18_A     G    18_A     14   27  111      3    9   20   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     S    19_A     S    19_A     14   27  111      4   11   23   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    20_A     T    20_A     14   27  111      3   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     K    21_A     K    21_A     14   27  111     12   19   25   36   51   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L    22_A     L    22_A     14   27  111     12   19   25   36   51   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     R    23_A     R    23_A     14   27  111     12   19   25   33   40   54   67   81   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    24_A     T    24_A     14   27  111     12   19   25   36   46   60   78   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     D    25_A     D    25_A     14   27  111     12   19   25   33   46   60   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    26_A     V    26_A     14   27  111     12   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     R    27_A     R    27_A     14   27  111     12   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     K    28_A     K    28_A     14   27  111      6   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     S    29_A     S    29_A     14   27  111      5   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     M    30_A     M    30_A     14   27  111      5   17   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Q    31_A     Q    31_A     14   27  111      4   17   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    32_A     V    32_A     11   27  111      4   12   21   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     K    33_A     K    33_A      9   27  111      3   11   21   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     N    34_A     N    34_A      9   27  111      3    9   15   29   46   61   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    35_A     T    35_A     12   27  111      4    9   17   33   46   61   77   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     A    36_A     A    36_A     12   27  111      4   13   21   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     D    37_A     D    37_A     12   27  111      6    9   19   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     K    38_A     K    38_A     12   27  111      4    9   17   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     R    39_A     R    39_A     12   27  111      4    9   15   26   48   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L    40_A     L    40_A     12   27  111      4    9   15   23   42   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    41_A     V    41_A     12   20  111      4    9   15   26   42   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     I    42_A     I    42_A     12   20  111      4    9   15   26   40   60   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     R    43_A     R    43_A     12   20  111      4    9   15   27   42   61   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L    44_A     L    44_A     12   20  111      3    7   15   27   42   61   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G    45_A     G    45_A     12   20  111      4    9   15   27   42   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     I    46_A     I    46_A     12   20  111      4    9   15   27   42   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Q    47_A     Q    47_A     10   20  111      3    8   15   25   42   60   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G    48_A     G    48_A      7   20  111      3    6   15   19   31   49   65   82   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     P    49_A     P    49_A      6   19  111      3    6   11   13   20   28   41   54   69   78   87   94   99  101  105  105  106  107  107  108 
LCS_GDT     G    50_A     G    50_A      5   19  111      3    5    9   20   30   49   62   79   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     F    51_A     F    51_A      5   17  111      3    5   14   33   46   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Q    52_A     Q    52_A      5   10  111      4    8   17   34   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L    53_A     L    53_A      5   10  111      4    8   16   33   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    54_A     V    54_A      5    8  111      4   10   20   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G    55_A     G    55_A      5    8  111      4   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    56_A     T    56_A      5    8  111      6    9   16   33   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     D    57_A     D    57_A      3    8  111      3    3    4    7   10   12   17   30   72   84   97  103  104  104  105  105  106  107  107  108 
LCS_GDT     S    58_A     S    58_A      4    8  111      3    7    9   20   30   45   67   79   89   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     S    59_A     S    59_A      4    8  111      5    6   11   17   26   36   45   57   77   87   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    60_A     T    60_A      4    6  111      3    7   17   28   46   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     I    61_A     I    61_A      4    8  111      3    4   11   20   35   47   67   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    62_A     T    62_A      5    8  111      3    5   11   14   35   46   67   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L    63_A     L    63_A      5   19  111      3    7   15   19   35   58   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Q    64_A     Q    64_A     11   22  111      3   10   19   27   47   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     A    65_A     A    65_A     12   22  111      3    5    5   18   26   33   54   83   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     M    66_A     M    66_A     14   23  111      5   14   23   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     E    67_A     E    67_A     14   23  111      5   14   23   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     C    68_A     C    68_A     14   23  111      3   13   23   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     R    69_A     R    69_A     14   23  111      5   14   22   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     S    70_A     S    70_A     14   23  111      4   14   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    71_A     V    71_A     14   23  111      5   14   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    72_A     V    72_A     14   23  111      6   14   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     I    73_A     I    73_A     14   23  111      6   14   24   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     N    74_A     N    74_A     14   23  111      6   16   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     F    75_A     F    75_A     14   23  111      6   19   25   36   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     C    76_A     C    76_A     14   23  111     12   19   25   33   46   58   78   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     P    77_A     P    77_A     14   23  111      6   19   25   33   46   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     T    78_A     T    78_A     14   23  111      6   19   24   33   40   56   68   83   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     V    79_A     V    79_A     14   23  111      6   16   24   33   45   58   76   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     C    80_A     C    80_A     14   23  111     12   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G    81_A     G    81_A     10   23  111      4   13   25   33   46   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     A    82_A     A    82_A     10   23  111      4    9   22   33   42   61   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     A    83_A     A    83_A     10   23  111      4   19   25   33   42   60   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     I    84_A     I    84_A      8   23  111      3   10   25   33   43   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G    85_A     G    85_A      8   23  111      3    9   22   32   46   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     A    86_A     A    86_A      8   23  111      4   13   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L    87_A     L    87_A      8   23  111      4    9   17   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     S    88_A     S    88_A      8   23  111      4    9   17   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     F    89_A     F    89_A      8   15  111      3    8   15   26   41   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Y    90_A     Y    90_A      8   15  111      4    6   15   26   48   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     A    91_A     A    91_A      8   15  111      4    6   12   18   31   49   74   85   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     P    92_A     P    92_A      8   15  111      4    9   15   27   45   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     P    93_A     P    93_A      8   15  111      4    6   10   20   44   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G    94_A     G    94_A      8   15  111      4    7   15   26   41   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     A    95_A     A    95_A      3   13  111      2    9   17   30   47   61   74   84   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     H    96_A     H    96_A      3    5  111      3    3    3   16   25   35   51   67   83   92   98  103  104  104  105  105  106  107  107  108 
LCS_GDT     N    97_A     N    97_A      4    6  111      4    4    4    9   35   43   55   74   85   94   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     S    98_A     S    98_A      4   13  111      4   10   19   25   38   47   68   78   88   94   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     N    99_A     N    99_A      4   14  111      4   12   18   25   35   43   55   71   82   91   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Q   100_A     Q   100_A      4   14  111      4    4    5   10   15   23   42   47   70   87   92  102  104  104  105  105  106  107  107  108 
LCS_GDT     P   101_A     P   101_A     11   14  111      4   10   15   32   49   62   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G   102_A     G   102_A     11   14  111      7   10   20   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L   103_A     L   103_A     11   14  111      5   10   15   35   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     E   104_A     E   104_A     11   14  111      7   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     I   105_A     I   105_A     11   14  111      7   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     P   106_A     P   106_A     11   14  111      7   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     L   107_A     L   107_A     11   14  111      7   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Y   108_A     Y   108_A     11   14  111      6   10   23   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G   109_A     G   109_A     11   14  111      5   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     Y   110_A     Y   110_A     11   14  111     12   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G   111_A     G   111_A     11   14  111     12   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     G   112_A     G   112_A     11   14  111     12   19   25   37   51   63   79   87   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_GDT     S   113_A     S   113_A      3   13  111      3    3    4    9   16   34   65   82   90   95   99  103  104  104  105  105  106  107  107  108 
LCS_AVERAGE  LCS_A:  41.25  (   8.62   16.87   98.28 )

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     12     19     25     37     51     63     79     87     90     95     99    103    104    104    105    105    106    107    107    108 
GDT PERCENT_AT  10.71  16.96  22.32  33.04  45.54  56.25  70.54  77.68  80.36  84.82  88.39  91.96  92.86  92.86  93.75  93.75  94.64  95.54  95.54  96.43
GDT RMS_LOCAL    0.35   0.57   0.91   1.57   1.85   2.16   2.47   2.63   2.71   2.90   3.13   3.33   3.39   3.39   3.49   3.49   3.59   3.78   3.88   3.97
GDT RMS_ALL_AT  11.70  11.21   9.38   5.52   5.63   5.54   5.56   5.60   5.64   5.64   5.47   5.39   5.37   5.37   5.35   5.39   5.36   5.32   5.27   5.28

# 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:  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    21.241     0    0.352   0.537    23.687    0.000    0.000
LGA    M     3_A      M     3_A    19.766     0    0.176   1.033    23.856    0.000    0.000
LGA    G     4_A      G     4_A    20.713     0    0.247   0.247    20.713    0.000    0.000
LGA    L     5_A      L     5_A    18.750     0    0.067   0.327    19.663    0.000    0.000
LGA    L     6_A      L     6_A    14.820     0    0.517   0.973    17.488    0.000    0.000
LGA    P     7_A      P     7_A    14.305     0    0.619   0.721    18.598    0.000    0.000
LGA    L     8_A      L     8_A    10.214     0    0.078   1.327    12.654    1.905    1.012
LGA    K     9_A      K     9_A     6.544     0    0.057   0.834     7.937   17.024   19.841
LGA    V    10_A      V    10_A     2.978     0    0.050   0.317     4.072   55.952   52.585
LGA    T    11_A      T    11_A     1.874     0    0.134   1.186     3.859   65.595   64.218
LGA    H    12_A      H    12_A     3.709     0    0.650   1.591    11.127   57.500   27.714
LGA    T    13_A      T    13_A     2.854     0    0.048   1.363     6.168   65.357   51.293
LGA    T    14_A      T    14_A     1.510     0    0.137   1.080     3.824   75.119   70.000
LGA    L    15_A      L    15_A     1.188     0    0.071   0.179     2.262   75.119   83.988
LGA    C    16_A      C    16_A     2.461     0    0.075   0.620     4.035   70.833   61.746
LGA    W    17_A      W    17_A     1.721     0    0.622   0.558     3.293   65.119   74.422
LGA    G    18_A      G    18_A     2.677     0    0.096   0.096     2.677   60.952   60.952
LGA    S    19_A      S    19_A     2.821     0    0.087   0.615     3.271   60.952   59.762
LGA    T    20_A      T    20_A     2.411     0    0.058   1.123     3.431   57.262   58.299
LGA    K    21_A      K    21_A     3.138     0    0.033   0.774     4.175   51.786   50.212
LGA    L    22_A      L    22_A     3.137     0    0.066   0.944     6.315   45.119   39.524
LGA    R    23_A      R    23_A     4.794     0    0.053   1.440     7.934   31.548   25.325
LGA    T    24_A      T    24_A     3.792     0    0.072   0.239     4.337   46.667   46.327
LGA    D    25_A      D    25_A     3.391     0    0.101   0.938     7.139   51.905   36.190
LGA    V    26_A      V    26_A     2.027     0    0.062   0.185     2.515   62.857   68.367
LGA    R    27_A      R    27_A     2.117     0    0.114   1.053     9.058   68.810   40.519
LGA    K    28_A      K    28_A     1.652     0    0.070   0.808     2.271   72.857   73.915
LGA    S    29_A      S    29_A     2.025     0    0.077   0.815     2.397   66.786   66.111
LGA    M    30_A      M    30_A     2.105     0    0.061   1.232     7.020   68.810   52.143
LGA    Q    31_A      Q    31_A     1.896     0    0.041   0.815     6.768   64.881   44.339
LGA    V    32_A      V    32_A     2.221     0    0.055   0.091     3.119   68.810   66.122
LGA    K    33_A      K    33_A     2.655     0    0.055   1.016     4.692   50.357   46.720
LGA    N    34_A      N    34_A     3.701     0    0.067   0.343     7.684   59.762   41.310
LGA    T    35_A      T    35_A     3.539     0    0.226   1.069     5.935   46.667   38.776
LGA    A    36_A      A    36_A     2.266     0    0.060   0.063     2.681   64.881   63.333
LGA    D    37_A      D    37_A     1.573     0    0.128   0.872     5.884   71.071   52.917
LGA    K    38_A      K    38_A     1.749     0    0.077   0.900     9.199   72.857   45.926
LGA    R    39_A      R    39_A     2.296     0    0.264   1.105     7.889   62.857   39.091
LGA    L    40_A      L    40_A     2.866     0    0.090   0.881     6.696   57.143   43.036
LGA    V    41_A      V    41_A     3.038     0    0.140   1.087     5.598   48.333   44.966
LGA    I    42_A      I    42_A     3.535     0    0.045   1.164     7.497   48.333   36.190
LGA    R    43_A      R    43_A     3.237     0    0.079   1.078     3.666   50.000   62.165
LGA    L    44_A      L    44_A     3.186     0    0.056   1.325     6.214   50.000   42.619
LGA    G    45_A      G    45_A     3.049     0    0.056   0.056     3.049   53.571   53.571
LGA    I    46_A      I    46_A     3.211     0    0.090   1.700     5.823   48.333   42.440
LGA    Q    47_A      Q    47_A     3.845     0    0.081   1.185     7.833   40.476   30.476
LGA    G    48_A      G    48_A     5.667     0    0.351   0.351     6.206   22.857   22.857
LGA    P    49_A      P    49_A     8.964     0    0.674   0.658    11.528    9.286    5.374
LGA    G    50_A      G    50_A     5.695     0    0.534   0.534     7.062   21.071   21.071
LGA    F    51_A      F    51_A     2.391     0    0.108   1.295     6.802   73.929   43.766
LGA    Q    52_A      Q    52_A     2.526     0    0.207   1.035    10.450   71.310   38.571
LGA    L    53_A      L    53_A     2.757     0    0.384   1.332     6.383   53.690   42.976
LGA    V    54_A      V    54_A     2.084     0    0.123   1.184     3.424   66.786   64.966
LGA    G    55_A      G    55_A     1.828     0    0.614   0.614     2.880   69.048   69.048
LGA    T    56_A      T    56_A     2.239     0    0.511   0.541     5.625   48.214   42.993
LGA    D    57_A      D    57_A     7.111     0    0.570   1.379    11.959   19.881   10.119
LGA    S    58_A      S    58_A     5.534     0    0.130   0.625     6.192   20.357   25.159
LGA    S    59_A      S    59_A     6.888     0    0.073   0.362     7.936   17.262   13.889
LGA    T    60_A      T    60_A     2.697     0    0.657   0.598     4.797   45.476   63.469
LGA    I    61_A      I    61_A     3.976     0    0.151   1.211     6.321   48.452   36.190
LGA    T    62_A      T    62_A     3.793     0    0.223   0.203     4.056   41.786   42.449
LGA    L    63_A      L    63_A     3.106     0    0.247   0.913     4.421   55.476   49.464
LGA    Q    64_A      Q    64_A     3.571     0    0.075   0.756     7.645   52.143   36.243
LGA    A    65_A      A    65_A     5.099     0    0.641   0.596     6.433   29.048   26.667
LGA    M    66_A      M    66_A     2.475     0    0.265   0.828     5.141   59.048   51.548
LGA    E    67_A      E    67_A     2.759     0    0.169   1.001     3.222   65.119   61.693
LGA    C    68_A      C    68_A     2.730     0    0.045   0.120     4.801   51.905   47.063
LGA    R    69_A      R    69_A     2.529     0    0.125   1.255     8.972   64.881   41.342
LGA    S    70_A      S    70_A     2.196     0    0.052   0.118     3.047   62.857   59.762
LGA    V    71_A      V    71_A     2.119     0    0.140   0.213     2.729   70.833   68.299
LGA    V    72_A      V    72_A     1.692     0    0.087   0.128     2.261   70.833   76.667
LGA    I    73_A      I    73_A     2.202     0    0.044   1.440     3.822   66.786   62.500
LGA    N    74_A      N    74_A     2.330     0    0.074   1.115     3.320   60.952   64.107
LGA    F    75_A      F    75_A     2.647     0    0.057   0.814     2.875   59.048   69.524
LGA    C    76_A      C    76_A     3.672     0    0.203   0.724     4.934   42.024   42.540
LGA    P    77_A      P    77_A     2.836     0    0.067   0.083     3.581   51.905   59.728
LGA    T    78_A      T    78_A     4.580     0    0.163   1.063     5.747   31.905   30.340
LGA    V    79_A      V    79_A     3.904     0    0.056   0.069     5.276   56.071   43.265
LGA    C    80_A      C    80_A     0.805     0    0.051   0.736     2.936   81.786   77.619
LGA    G    81_A      G    81_A     2.867     0    0.067   0.067     2.867   65.000   65.000
LGA    A    82_A      A    82_A     3.733     0    0.358   0.394     5.629   41.786   37.714
LGA    A    83_A      A    83_A     4.155     0    0.141   0.161     4.591   43.452   41.048
LGA    I    84_A      I    84_A     3.505     0    0.086   1.245     4.701   46.667   41.250
LGA    G    85_A      G    85_A     2.081     0    0.124   0.124     2.316   73.095   73.095
LGA    A    86_A      A    86_A     1.029     0    0.037   0.052     1.616   83.810   83.333
LGA    L    87_A      L    87_A     1.578     0    0.117   0.235     3.380   75.000   66.131
LGA    S    88_A      S    88_A     1.702     0    0.072   0.725     2.186   68.810   70.238
LGA    F    89_A      F    89_A     2.919     0    0.155   0.591     6.298   55.357   41.255
LGA    Y    90_A      Y    90_A     2.498     0    0.090   1.198    10.513   53.810   32.698
LGA    A    91_A      A    91_A     4.172     0    0.139   0.206     5.719   50.595   44.762
LGA    P    92_A      P    92_A     3.304     0    0.095   0.370     7.645   52.024   36.259
LGA    P    93_A      P    93_A     2.839     0    0.631   0.685     5.353   57.262   46.259
LGA    G    94_A      G    94_A     2.984     0    0.526   0.526     4.846   50.833   50.833
LGA    A    95_A      A    95_A     4.753     0    0.618   0.630     6.008   28.333   28.952
LGA    H    96_A      H    96_A     8.319     0    0.602   0.519    16.352    9.643    3.857
LGA    N    97_A      N    97_A     7.761     0    0.579   0.880     8.771    7.262    5.536
LGA    S    98_A      S    98_A     6.541     0    0.051   0.719     8.166   10.357   12.619
LGA    N    99_A      N    99_A     8.177     0    0.259   1.043     8.962    5.595    7.321
LGA    Q   100_A      Q   100_A     8.620     0    0.297   1.001    17.026    8.571    3.810
LGA    P   101_A      P   101_A     3.428     0    0.112   0.123     5.654   35.238   35.850
LGA    G   102_A      G   102_A     1.820     0    0.361   0.361     2.645   66.905   66.905
LGA    L   103_A      L   103_A     2.395     0    0.057   0.961     5.929   70.952   57.917
LGA    E   104_A      E   104_A     1.180     0    0.041   1.005     7.384   77.143   54.021
LGA    I   105_A      I   105_A     0.943     0    0.065   0.600     1.518   90.476   87.143
LGA    P   106_A      P   106_A     0.881     0    0.159   0.433     1.579   88.214   86.667
LGA    L   107_A      L   107_A     0.438     0    0.248   1.310     3.365   95.238   85.595
LGA    Y   108_A      Y   108_A     0.791     0    0.124   0.412     2.496   90.476   84.683
LGA    G   109_A      G   109_A     1.457     0    0.223   0.223     2.232   75.119   75.119
LGA    Y   110_A      Y   110_A     1.476     0    0.118   1.558    12.239   85.952   40.714
LGA    G   111_A      G   111_A     0.734     0    0.059   0.059     1.329   88.333   88.333
LGA    G   112_A      G   112_A     2.085     0    0.217   0.217     3.500   61.429   61.429
LGA    S   113_A      S   113_A     5.009     0    0.070   0.734     8.566   39.167   27.778

# 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):     5.185          5.088                  5.771           51.501   45.838

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     87    2.63    55.357    49.910     3.187

LGA_LOCAL      RMSD:   2.630  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.604  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   5.185  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.587798 * X  +  -0.690320 * Y  +   0.421843 * Z  +  -1.128336
  Y_new =  -0.642252 * X  +  -0.081106 * Y  +   0.762191 * Z  + -57.568718
  Z_new =  -0.491942 * X  +  -0.718943 * Y  +  -0.491033 * Z  +  18.581251 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.829639  0.514319 -2.170017   [DEG:  -47.5348   29.4683 -124.3328 ]
ZXZ:  2.636096  2.084072 -2.541511   [DEG:  151.0372  119.4085 -145.6178 ]
 
# END of job
