
#######################################################
#                                                     #
#                        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  251 ( 2082),  selected  239 , name one
# Molecule2: number of CA atoms  239 ( 1967),  selected  239 , 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:    48      63_A - 110_A       5.00    23.89
  LCS_AVERAGE:     16.42

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      45_A - 60_A        1.98    26.69
  LONGEST_CONTINUOUS_SEGMENT:    16      46_A - 61_A        1.98    25.90
  LONGEST_CONTINUOUS_SEGMENT:    16      87_A - 102_A       1.80    26.51
  LCS_AVERAGE:      3.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:     9      46_A - 54_A        0.90    25.28
  LONGEST_CONTINUOUS_SEGMENT:     9      52_A - 60_A        0.92    28.16
  LCS_AVERAGE:      1.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  239
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     N     2_A     N     2_A      3    5   43      0    6    9   18   20   24   29   37   46   51   58   65   72   76   82   86   91   97  102  107 
LCS_GDT     S     3_A     S     3_A      3    6   43      3    4    8   11   17   22   30   39   46   53   58   65   72   76   82   86   91   97  104  110 
LCS_GDT     T     4_A     T     4_A      7   10   43      3    5    8   13   18   24   30   39   46   53   58   65   72   76   82   86   91   97  104  110 
LCS_GDT     E     5_A     E     5_A      7   10   43      3    5    9   10   17   22   27   32   39   44   53   61   70   74   82   86   90   95  100  105 
LCS_GDT     N     6_A     N     6_A      7   10   43      3    5    9   10   17   22   27   38   46   53   58   65   72   76   82   86   91   97  104  110 
LCS_GDT     K     7_A     K     7_A      7   10   43      3    5   10   15   18   22   29   39   46   53   58   65   72   76   82   86   91   97  104  110 
LCS_GDT     N     8_A     N     8_A      7   10   43      3    6    9   15   22   28   37   45   51   55   61   66   72   80   87   94   99  105  110  112 
LCS_GDT     F     9_A     F     9_A      7   10   43      3    6   10   16   22   28   37   45   51   55   59   66   72   80   87   94   99  105  110  112 
LCS_GDT     V    10_A     V    10_A      7   10   43      4    6   14   20   28   36   41   46   54   62   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     I    11_A     I    11_A      7   10   43      4    6   14   20   28   36   41   46   54   65   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     S    12_A     S    12_A      4   10   43      4    6   14   20   28   36   41   46   54   65   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     I    13_A     I    13_A      4   10   43      4    5   14   19   25   36   41   46   55   65   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     S    14_A     S    14_A      3    8   43      3    4    7   16   20   27   37   45   51   57   63   68   77   84   90   94  100  105  110  112 
LCS_GDT     T    15_A     T    15_A      3    8   43      3    5   10   14   19   28   41   45   54   65   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     A    16_A     A    16_A      3    8   43      3    5   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     E    17_A     E    17_A      3    8   43      3    3   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     Q    18_A     Q    18_A      3    5   43      3    5    8   13   19   27   37   48   58   67   71   77   82   87   90   94   99  105  110  112 
LCS_GDT     R    19_A     R    19_A      3    5   43      3    4    9   13   19   27   37   48   58   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     R    20_A     R    20_A      3    4   43      3    4   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     N    21_A     N    21_A      3    4   43      3    4    8   14   23   32   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     H    22_A     H    22_A      3    4   43      3    4    9   15   19   26   35   47   56   65   71   76   80   86   90   94   99  104  110  112 
LCS_GDT     I    23_A     I    23_A      3    4   43      3    4    9   15   19   30   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     I    24_A     I    24_A      3    4   43      3    5    9   20   28   36   41   47   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     E    25_A     E    25_A      3    4   43      3    4    7   14   19   27   39   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     Q    26_A     Q    26_A      3    4   43      3    3    7   12   14   25   35   47   56   65   71   76   81   87   90   94  100  105  110  112 
LCS_GDT     F    27_A     F    27_A      3    4   43      3    4    9   12   23   32   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     T    28_A     T    28_A      3    6   43      3    4    7   17   27   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     H    29_A     H    29_A      3   10   43      3    4    7   14   19   24   37   48   58   65   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     Q    30_A     Q    30_A      7   12   43      3    6    8   14   19   27   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     N    31_A     N    31_A      7   12   44      3    6    8   11   14   26   37   46   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     I    32_A     I    32_A      7   12   46      3    6   14   20   28   36   41   46   54   63   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     P    33_A     P    33_A      7   12   46      3    6   10   16   22   28   33   45   51   55   59   65   72   80   87   93   96  104  110  112 
LCS_GDT     F    34_A     F    34_A      7   12   46      3    6   10   16   22   28   33   45   51   55   59   65   72   80   87   93   95  104  110  112 
LCS_GDT     E    35_A     E    35_A      7   12   46      3    6    9   14   22   24   30   39   46   53   59   65   72   76   82   86   90   97  104  110 
LCS_GDT     F    36_A     F    36_A      7   12   46      3    6    9   14   22   24   30   39   46   53   59   65   72   76   82   86   91   97  104  110 
LCS_GDT     F    37_A     F    37_A      5   12   46      3    6    9   14   22   24   30   39   46   53   59   65   72   76   82   86   90   97  104  110 
LCS_GDT     D    38_A     D    38_A      4   12   46      3    5    9   14   22   24   29   39   46   53   59   63   68   76   79   83   90   96  102  109 
LCS_GDT     A    39_A     A    39_A      3   12   46      3    6   10   14   22   27   35   45   50   55   60   67   72   80   87   93   99  105  110  112 
LCS_GDT     F    40_A     F    40_A      3   12   46      3    4    9   13   22   25   35   45   46   53   59   63   68   76   84   88   95  104  108  112 
LCS_GDT     T    41_A     T    41_A      4   12   46      3    5    9   13   22   27   37   45   51   57   62   68   77   87   88   94  100  105  110  112 
LCS_GDT     P    42_A     P    42_A      4   10   46      3    3    4    6   14   23   36   45   52   62   66   74   80   87   90   94  100  105  110  112 
LCS_GDT     S    43_A     S    43_A      4   10   46      3    5    8   16   21   28   37   45   52   59   66   73   79   87   90   94  100  105  110  112 
LCS_GDT     D    44_A     D    44_A      4   10   46      2    5    7   12   20   27   37   45   52   57   63   70   77   87   90   94  100  105  110  112 
LCS_GDT     K    45_A     K    45_A      3   16   46      3    6   14   19   25   31   41   45   54   65   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     L    46_A     L    46_A      9   16   46      6    7   12   17   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     T    47_A     T    47_A      9   16   46      6    7   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     D    48_A     D    48_A      9   16   46      6    7   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     H    49_A     H    49_A      9   16   46      6    7   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     L    50_A     L    50_A      9   16   46      6    6   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     Q    51_A     Q    51_A      9   16   46      3    7   14   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     R    52_A     R    52_A      9   16   46      6    7   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     Y    53_A     Y    53_A      9   16   46      4    6   14   20   28   36   41   47   57   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     L    54_A     L    54_A      9   16   46      4    6   14   20   28   36   41   49   57   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     P    55_A     P    55_A      9   16   46      4    6   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     N    56_A     N    56_A      9   16   46      3    6   14   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     V    57_A     V    57_A      9   16   46      4    6   14   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     A    58_A     A    58_A      9   16   46      4    6    9   13   26   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     N    59_A     N    59_A      9   16   46      4    6    9   13   24   36   41   49   58   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     A    60_A     A    60_A      9   16   46      4    6   14   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     A    61_A     A    61_A      3   16   46      3    4    5    7   13   32   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     Q    62_A     Q    62_A      6    6   47      4    5   10   13   22   24   31   40   47   65   71   76   81   86   90   94  100  105  110  112 
LCS_GDT     L    63_A     L    63_A      6    6   48      4    5   10   14   22   24   32   47   59   67   71   76   82   86   90   94  100  105  110  112 
LCS_GDT     T    64_A     T    64_A      6    6   48      4    5   10   13   18   22   34   47   59   67   71   76   82   86   90   94  100  105  110  112 
LCS_GDT     M    65_A     M    65_A      6    6   48      3    5   10   13   18   29   36   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     G    66_A     G    66_A      6    6   48      3    5   10   13   17   26   36   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     E    67_A     E    67_A      6    6   48      3    5   10   13   18   22   34   47   59   67   71   77   82   86   90   94  100  105  110  112 
LCS_GDT     K    68_A     K    68_A      3    4   48      3    6   10   17   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     G    69_A     G    69_A      3    4   48      3    3   13   20   28   36   41   47   55   65   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     C    70_A     C    70_A      3    4   48      3    5   10   19   26   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     L    71_A     L    71_A      3    4   48      3    5   12   20   28   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     M    72_A     M    72_A      3    4   48      3    5    7   13   16   21   31   45   46   53   59   67   75   87   88   94   99  105  110  112 
LCS_GDT     S    73_A     S    73_A      3    4   48      3    5    9   13   20   28   37   45   51   57   61   69   77   87   90   94   99  105  110  112 
LCS_GDT     H    74_A     H    74_A      3    4   48      3    4    8   16   24   33   39   45   51   58   67   77   82   87   90   94  100  105  110  112 
LCS_GDT     F    75_A     F    75_A      3    4   48      3    4    7   12   15   22   33   45   46   49   54   63   70   78   83   89   94  104  110  112 
LCS_GDT     M    76_A     M    76_A      3    4   48      3    4    6    9   16   21   26   35   39   45   52   55   63   66   77   82   85   88   94  103 
LCS_GDT     L    77_A     L    77_A      3    4   48      3    4    6   12   19   25   35   36   43   50   56   63   70   76   82   86   91   97  105  112 
LCS_GDT     W    78_A     W    78_A      3    4   48      3    4    6   13   16   26   35   36   43   49   54   63   70   75   82   85   91   97  102  111 
LCS_GDT     K    79_A     K    79_A      3    4   48      3    4    6    9   16   21   26   32   37   42   48   51   55   59   62   73   82   85   92   97 
LCS_GDT     K    80_A     K    80_A      3    4   48      3    4    5    8   12   20   25   28   33   41   45   49   54   57   67   76   82   86   91   96 
LCS_GDT     C    81_A     C    81_A      4    4   48      3    4    6   10   16   21   27   32   37   42   49   55   68   73   78   82   87   93   99  104 
LCS_GDT     I    82_A     I    82_A      4    4   48      3    4    6    9   14   21   26   32   37   42   48   51   55   57   67   76   83   87   93   97 
LCS_GDT     D    83_A     D    83_A      4    9   48      3    4    7   10   14   23   25   32   37   42   48   51   54   57   60   65   69   72   79   81 
LCS_GDT     E    84_A     E    84_A      7   13   48      3    5    7   11   15   19   29   32   33   40   42   48   54   57   60   66   72   77   82   86 
LCS_GDT     N    85_A     N    85_A      7   13   48      3    4    8   13   19   24   29   32   37   42   48   51   54   57   62   69   77   81   86   92 
LCS_GDT     L    86_A     L    86_A      7   13   48      3    5    9   13   19   24   29   32   39   43   52   58   63   73   78   82   87   91   97  103 
LCS_GDT     D    87_A     D    87_A      7   16   48      4    7    9   13   20   24   29   33   42   46   54   63   70   76   82   86   91   95  102  105 
LCS_GDT     Y    88_A     Y    88_A      7   16   48      3    7   10   18   20   24   29   39   46   53   59   65   72   77   83   88   97  105  110  112 
LCS_GDT     I    89_A     I    89_A      7   16   48      3    5   10   15   21   28   32   45   48   55   61   65   73   79   87   94   99  105  110  112 
LCS_GDT     T    90_A     T    90_A      7   16   48      3    5   13   20   28   36   41   46   55   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     L    91_A     L    91_A      6   16   48      3    5   14   20   28   36   41   47   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     F    92_A     F    92_A      6   16   48      4    5   10   15   23   32   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     E    93_A     E    93_A      6   16   48      3    5   10   13   17   28   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     D    94_A     D    94_A      4   16   48      3    6    9   13   19   24   34   47   58   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     D    95_A     D    95_A      4   16   48      3    6    9   15   19   24   29   32   36   41   49   63   68   74   82   85   89   97  104  109 
LCS_GDT     I    96_A     I    96_A      4   16   48      3    5    9   13   17   20   29   32   37   42   48   56   63   71   82   84   90   97   99  109 
LCS_GDT     L    97_A     L    97_A      4   16   48      3    6    9   13   17   21   26   32   37   42   48   51   58   63   68   72   77   83   98  102 
LCS_GDT     L    98_A     L    98_A      4   16   48      3    6    9   13   17   23   26   33   38   42   48   53   62   68   78   84   90   93   99  104 
LCS_GDT     G    99_A     G    99_A      3   16   48      3    7    9   18   20   24   29   33   38   42   48   52   58   63   68   71   82   90   98  102 
LCS_GDT     E   100_A     E   100_A      3   16   48      3    7    9   18   20   24   29   33   38   42   48   52   58   63   71   77   82   90   98  102 
LCS_GDT     N   101_A     N   101_A      3   16   48      3    4    7   12   19   26   30   33   40   45   48   52   58   67   78   84   90   93   99  104 
LCS_GDT     A   102_A     A   102_A      3   16   48      3    3    7   18   20   26   30   34   42   48   57   64   75   82   87   92   96  102  105  109 
LCS_GDT     N   103_A     N   103_A      3   10   48      3    3    6   12   19   25   36   47   52   61   68   73   81   86   90   94  100  105  106  110 
LCS_GDT     K   104_A     K   104_A      4    7   48      3    5    9   13   19   25   35   40   48   56   60   72   77   85   88   92   96  105  106  109 
LCS_GDT     F   105_A     F   105_A      4    4   48      3    5   10   14   18   26   32   40   48   56   61   72   77   85   89   94  100  105  106  110 
LCS_GDT     L   106_A     L   106_A      5    7   48      3    5    9   18   20   25   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     A   107_A     A   107_A      5    7   48      3    5    6   18   20   24   34   48   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     E   108_A     E   108_A      5    7   48      3    5    6   13   18   25   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     G   109_A     G   109_A      5    7   48      3    5    6   12   19   30   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     D   110_A     D   110_A      5    7   48      3    5    7   12   19   25   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     W   111_A     W   111_A      4    7   40      3    3    8   13   19   24   30   34   40   45   61   72   79   84   90   94  100  105  106  110 
LCS_GDT     L   112_A     L   112_A      4    7   38      3    4   10   14   22   30   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     K   113_A     K   113_A      4    4   38      3    5   14   19   26   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     V   114_A     V   114_A      4    4   37      3    5    9   14   24   31   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     R   115_A     R   115_A      3    4   37      3    4    7   13   19   30   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     F   116_A     F   116_A      3    7   37      3    5   13   19   26   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     N   117_A     N   117_A      3    7   37      3    5    9   19   28   35   40   46   53   59   69   77   82   87   90   94   99  105  110  112 
LCS_GDT     F   118_A     F   118_A      3   13   37      3    3   11   19   28   35   40   46   53   59   69   77   82   87   90   94   99  105  110  112 
LCS_GDT     Q   119_A     Q   119_A      3   13   37      3    5    9   12   17   30   40   45   49   58   66   76   82   87   90   94   99  105  110  112 
LCS_GDT     E   120_A     E   120_A      4   13   37      2    7   12   20   28   36   41   46   56   67   71   77   82   87   90   94   99  105  110  112 
LCS_GDT     I   121_A     I   121_A      7   13   37      3    5    7   11   21   32   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     F   122_A     F   122_A      7   13   37      3    6    9   14   18   30   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     V   123_A     V   123_A      7   13   37      5    6    9   13   18   24   32   42   55   63   71   75   81   86   90   94  100  105  106  110 
LCS_GDT     L   124_A     L   124_A      7   13   37      5    6    9   12   16   22   32   36   41   50   60   67   75   85   88   93  100  105  106  109 
LCS_GDT     R   125_A     R   125_A      7   13   37      5    6    9   11   16   22   26   32   36   41   46   51   69   74   80   84   92   94   99  105 
LCS_GDT     L   126_A     L   126_A      7   13   37      5    6    9   10   14   19   25   30   34   41   46   50   58   63   68   71   77   90   98  102 
LCS_GDT     E   127_A     E   127_A      7   13   37      5    6    9   10   13   16   25   28   34   39   42   44   49   55   58   66   70   75   80   85 
LCS_GDT     T   128_A     T   128_A      5   13   37      1    4    8   12   16   22   25   32   35   41   43   46   52   57   60   66   70   75   80   85 
LCS_GDT     F   129_A     F   129_A      3   13   37      0    3    6   10   16   22   25   32   35   38   42   46   52   57   60   65   69   72   79   81 
LCS_GDT     L   130_A     L   130_A      3   13   37      0    4    8   11   16   20   26   32   36   39   44   48   52   57   60   65   70   74   80   85 
LCS_GDT     M   131_A     M   131_A      3   10   37      1    5    7   12   16   22   25   32   36   39   44   48   52   57   60   65   69   72   79   81 
LCS_GDT     P   132_A     P   132_A      3    9   37      3    3    6   12   16   22   25   32   36   39   44   48   52   57   60   65   69   72   79   81 
LCS_GDT     V   133_A     V   133_A      4    9   37      3    4    6    8   13   17   22   29   34   38   44   48   52   57   60   65   69   71   76   81 
LCS_GDT     Q   134_A     Q   134_A      4    9   36      3    4    6    7   13   17   22   29   34   38   42   46   50   53   60   65   69   71   76   81 
LCS_GDT     L   135_A     L   135_A      4    9   27      3    4    6    7   10   17   22   29   34   38   42   46   50   53   57   63   68   71   76   81 
LCS_GDT     E   136_A     E   136_A      4    9   27      3    4    6    7   13   17   22   29   33   38   42   46   50   53   58   64   69   71   76   81 
LCS_GDT     K   137_A     K   137_A      4    9   27      3    4    5    7   10   17   22   29   33   38   42   46   49   53   57   63   66   71   74   81 
LCS_GDT     Q   138_A     Q   138_A      4    9   27      0    4    5    8   10   15   22   27   34   38   41   46   48   53   55   61   65   69   74   78 
LCS_GDT     T   139_A     T   139_A      4    9   27      3    4    6    8   11   15   21   27   33   38   41   45   48   53   55   61   65   69   74   77 
LCS_GDT     Q   140_A     Q   140_A      5    9   27      3    5    5    7   10   12   15   20   27   34   40   45   48   53   55   61   65   69   74   77 
LCS_GDT     I   141_A     I   141_A      5    8   27      3    5    6    7   10   12   15   16   21   25   33   37   42   50   55   61   63   68   69   73 
LCS_GDT     P   142_A     P   142_A      5   11   27      3    5    5    8   11   13   15   16   21   25   32   37   42   50   54   59   61   68   69   73 
LCS_GDT     P   143_A     P   143_A      5   11   27      3    5    5    8   11   13   15   15   19   25   32   36   42   50   54   55   61   64   67   73 
LCS_GDT     F   144_A     F   144_A      5   11   27      3    5    5    7   11   13   15   15   17   19   21   22   25   25   28   32   36   39   53   55 
LCS_GDT     Q   145_A     Q   145_A      4   11   27      3    3    6    8   11   13   15   15   17   20   21   22   25   25   32   33   36   49   55   56 
LCS_GDT     Q   146_A     Q   146_A      4   11   27      3    4    6    8   11   13   15   15   18   20   22   27   40   43   48   52   56   60   67   71 
LCS_GDT     R   147_A     R   147_A      5   11   27      3    4    6    8   11   13   15   15   18   20   22   27   33   43   48   52   56   59   65   69 
LCS_GDT     D   148_A     D   148_A      5   11   27      3    3    6    7   11   13   15   15   19   28   33   38   41   50   54   56   61   64   67   73 
LCS_GDT     I   149_A     I   149_A      5   11   27      3    3    6    7   10   12   15   15   23   29   33   38   41   47   54   55   61   64   67   73 
LCS_GDT     D   150_A     D   150_A      5   11   27      3    4    6    8   11   13   15   21   25   31   40   42   47   52   55   61   63   69   74   77 
LCS_GDT     I   151_A     I   151_A      5   11   27      3    3    6    8   11   17   19   21   25   36   40   45   48   53   55   61   65   69   74   77 
LCS_GDT     L   152_A     L   152_A      4   11   27      3    4    7    8   11   13   16   21   25   33   40   45   48   53   55   61   65   69   74   77 
LCS_GDT     T   153_A     T   153_A      4    8   27      0    3    5    7   11   17   22   29   34   38   42   46   50   53   58   64   69   71   76   81 
LCS_GDT     S   154_A     S   154_A      5    8   27      3    3    5   10   12   17   22   29   34   38   42   46   50   53   58   65   69   71   76   81 
LCS_GDT     K   155_A     K   155_A      5    8   38      3    3    5    9   14   20   21   28   34   38   42   46   52   57   60   65   69   72   79   81 
LCS_GDT     H   156_A     H   156_A      5    6   38      3    4    8   11   14   20   22   31   36   39   44   48   52   57   61   68   74   78   83   91 
LCS_GDT     F   157_A     F   157_A      5    6   38      1    4    8   10   15   22   27   31   34   38   44   48   52   57   60   68   74   78   83   91 
LCS_GDT     G   158_A     G   158_A      5    6   38      3    5    5   11   15   22   27   31   34   38   44   48   54   59   65   69   77   80   83   94 
LCS_GDT     T   159_A     T   159_A      4    9   38      3    4    7   11   18   24   29   33   38   48   57   64   75   85   88   93   96  105  106  110 
LCS_GDT     A   160_A     A   160_A      6    9   38      3    7    9   18   20   24   29   33   38   42   48   62   69   74   82   85   92  102  103  105 
LCS_GDT     G   161_A     G   161_A      6    9   38      3    7    9   18   20   24   32   36   42   54   60   67   75   85   88   94  100  105  106  110 
LCS_GDT     Y   162_A     Y   162_A      6    9   38      3    5    8   18   22   24   36   47   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     V   163_A     V   163_A      6    9   38      3    5    9   16   25   33   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     I   164_A     I   164_A      6    9   38      3    5    9   20   28   36   41   46   54   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     S   165_A     S   165_A      6    9   38      3    5   10   15   20   31   38   45   47   54   61   69   78   87   90   94   99  105  110  112 
LCS_GDT     Q   166_A     Q   166_A      5    9   38      3    5    9   18   20   24   29   37   42   51   58   64   70   76   82   86   91   97  102  107 
LCS_GDT     G   167_A     G   167_A      3    9   38      3    5   10   15   19   26   35   37   43   51   58   64   71   78   83   88   94  100  110  112 
LCS_GDT     A   168_A     A   168_A      3    9   38      3    5    9   15   16   25   38   45   47   54   61   69   78   87   90   94   99  105  110  112 
LCS_GDT     A   169_A     A   169_A      3    4   38      4    6    9   18   20   26   35   37   43   51   58   64   70   77   83   88   94  102  110  112 
LCS_GDT     K   170_A     K   170_A      3    4   38      4    6    9   18   20   26   35   36   43   49   52   63   70   75   82   85   90   95  102  104 
LCS_GDT     Y   171_A     Y   171_A      3    4   38      3    4    6   11   14   20   33   45   46   51   58   65   74   81   85   90   99  105  110  112 
LCS_GDT     L   172_A     L   172_A      3    4   38      3    4    8   12   20   24   33   45   46   51   58   68   75   87   88   94   99  105  110  112 
LCS_GDT     I   173_A     I   173_A      3    4   38      3    4    9   13   18   24   35   36   46   49   54   61   68   75   82   85   90   94  102  105 
LCS_GDT     A   174_A     A   174_A      3    4   38      3    6    9   18   20   24   29   36   46   49   54   61   68   73   82   85   90   95  102  105 
LCS_GDT     L   175_A     L   175_A      3    4   38      3    4    7   11   14   22   31   38   45   50   60   69   78   87   88   94   99  105  110  112 
LCS_GDT     F   176_A     F   176_A      3    6   38      3    4    7   12   18   24   29   40   46   49   56   64   74   81   85   91   97  105  110  112 
LCS_GDT     E   177_A     E   177_A      3    6   38      3    4    5   12   15   23   29   45   46   49   54   59   63   68   74   83   88   94  102  104 
LCS_GDT     K   178_A     K   178_A      3    6   38      3    3    8   11   18   24   33   45   46   49   56   64   72   79   83   89   94  100  103  110 
LCS_GDT     L   179_A     L   179_A      3    6   38      3    3    5   10   16   24   29   33   45   51   60   69   75   87   88   94   99  105  110  112 
LCS_GDT     T   180_A     T   180_A      5    8   38      3    4    6    8   14   18   27   30   45   51   60   69   78   87   88   94   99  105  110  112 
LCS_GDT     T   181_A     T   181_A      5    8   38      3    4    6    8   14   20   24   31   43   56   64   74   82   87   90   94   99  105  110  112 
LCS_GDT     E   182_A     E   182_A      5    8   38      4    4    6   11   24   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     E   183_A     E   183_A      5    8   38      4    4    6    8   14   21   26   43   59   67   71   77   82   86   90   94  100  105  110  112 
LCS_GDT     I   184_A     I   184_A      5    8   38      4    4    8   10   16   31   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     K   185_A     K   185_A      5    8   38      4    4    8   10   14   21   29   33   45   61   68   75   81   86   90   94  100  105  110  112 
LCS_GDT     P   186_A     P   186_A      5    8   38      3    4    9   13   19   24   33   47   59   67   71   77   82   86   90   94  100  105  110  112 
LCS_GDT     I   187_A     I   187_A      3    8   38      3    4    7   13   18   25   37   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     D   188_A     D   188_A      3    7   38      3    6   10   18   22   24   29   34   41   48   60   67   75   85   90   94  100  105  106  110 
LCS_GDT     E   189_A     E   189_A      3    7   38      3    4   10   12   22   24   28   34   39   45   57   65   73   85   90   94  100  105  106  110 
LCS_GDT     I   190_A     I   190_A      4    4   38      3    6    8   13   17   24   36   47   59   67   71   77   82   86   90   94  100  105  110  112 
LCS_GDT     M   191_A     M   191_A      4    4   38      3    4   10   15   18   24   33   47   59   65   71   76   82   86   90   94  100  105  110  112 
LCS_GDT     F   192_A     F   192_A      5   10   38      3    4    7   14   22   24   28   34   41   48   57   65   75   85   88   93  100  105  106  109 
LCS_GDT     N   193_A     N   193_A      5   10   36      3    5    8   13   16   23   28   34   39   45   54   62   69   74   86   90   97  102  105  109 
LCS_GDT     Q   194_A     Q   194_A      5   10   36      3    6    9   11   17   22   29   33   41   48   57   67   77   85   90   94  100  105  106  110 
LCS_GDT     Q   195_A     Q   195_A      5   14   36      3    5    7   12   17   22   32   36   41   50   60   70   77   85   90   94  100  105  106  110 
LCS_GDT     I   196_A     I   196_A      5   14   36      3    4    6   15   17   21   32   36   41   50   62   70   77   85   90   94  100  105  106  110 
LCS_GDT     N   197_A     N   197_A      5   14   36      3    5    9   15   18   22   28   32   37   48   57   67   77   85   90   94  100  105  106  110 
LCS_GDT     A   198_A     A   198_A      5   14   36      4    5    9   12   17   22   31   43   55   65   71   75   81   86   90   94  100  105  106  112 
LCS_GDT     T   199_A     T   199_A      5   14   36      4    5    9   16   22   31   40   49   59   67   71   77   82   86   90   94  100  105  110  112 
LCS_GDT     D   200_A     D   200_A      5   14   36      4    5    8   19   25   36   41   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     Y   201_A     Y   201_A      5   14   36      4    5   10   16   23   31   40   49   59   67   71   77   82   87   90   94  100  105  110  112 
LCS_GDT     R   202_A     R   202_A      5   14   36      3    4    8   11   17   24   31   42   55   63   71   75   81   86   90   94  100  105  106  110 
LCS_GDT     V   203_A     V   203_A      5   14   36      3    5   10   13   18   23   32   36   41   50   60   67   77   85   90   94  100  105  106  110 
LCS_GDT     Y   204_A     Y   204_A      5   14   36      3    5    8   14   22   24   32   36   41   48   60   67   75   82   86   92   97  102  105  109 
LCS_GDT     Q   205_A     Q   205_A      5   14   36      3    4    8   12   16   23   26   30   34   41   46   62   69   74   80   84   92   94   99  102 
LCS_GDT     L   206_A     L   206_A      5   14   36      3    5    8   12   14   19   26   30   36   41   46   62   69   74   80   84   92   94   99  102 
LCS_GDT     N   207_A     N   207_A      5   14   36      3    4    8   12   14   23   25   30   32   37   43   45   58   63   66   69   74   80   83   91 
LCS_GDT     P   208_A     P   208_A      5   14   36      3    4    6   12   14   23   25   30   32   36   40   45   49   53   59   62   69   79   80   86 
LCS_GDT     A   209_A     A   209_A      4    8   36      3    4    8   13   17   24   29   32   34   39   46   51   58   63   68   71   77   90   98  102 
LCS_GDT     I   210_A     I   210_A      3    7   36      1    5    7   12   19   24   29   32   36   42   46   51   58   63   68   71   82   90   98  102 
LCS_GDT     C   211_A     C   211_A      3    7   36      3    3    7   18   20   24   29   33   38   42   48   52   58   63   68   77   82   90   98  102 
LCS_GDT     V   212_A     V   212_A      3    7   36      4    7    9   18   20   24   29   33   38   42   48   52   56   61   65   69   73   77   82   88 
LCS_GDT     Q   213_A     Q   213_A      3    7   36      4    6    9   13   18   24   29   33   38   42   48   52   56   61   65   71   73   77   82   88 
LCS_GDT     E   214_A     E   214_A      4    7   36      3    5    6   11   15   23   26   32   38   42   48   52   56   61   65   71   73   77   82   88 
LCS_GDT     L   215_A     L   215_A      4    7   36      3    5    9   13   17   22   26   32   38   42   48   52   56   61   65   69   73   77   82   88 
LCS_GDT     Q   216_A     Q   216_A      4    7   36      3    4    9   13   16   21   26   32   37   42   48   52   56   61   65   69   73   77   82   88 
LCS_GDT     L   217_A     L   217_A      4    7   36      3    4    9   13   15   24   29   32   35   42   48   52   56   61   65   69   73   77   82   88 
LCS_GDT     N   218_A     N   218_A      4    5   31      3    4    4   13   19   24   29   32   37   42   48   52   56   61   65   69   73   77   82   88 
LCS_GDT     Q   219_A     Q   219_A      4    5   25      3    4    7   12   19   24   29   32   32   35   40   45   50   56   59   63   68   74   82   88 
LCS_GDT     E   220_A     E   220_A      4    5   25      3    6    9   11   16   21   23   32   35   40   48   51   54   56   59   63   68   73   82   88 
LCS_GDT     A   221_A     A   221_A      4    5   25      3    4    4    9   15   21   26   32   37   42   48   52   56   61   65   69   73   77   82   88 
LCS_GDT     S   222_A     S   222_A      3    5   25      1    3    8   10   14   20   23   28   35   42   48   52   56   61   65   69   73   77   82   88 
LCS_GDT     L   223_A     L   223_A      3    5   25      3    4    8   11   14   17   23   27   31   41   47   52   55   61   65   69   73   77   82   88 
LCS_GDT     L   224_A     L   224_A      3    5   25      3    4    8   11   12   14   17   26   33   42   46   48   56   61   65   68   71   75   80   86 
LCS_GDT     V   225_A     V   225_A      3    4   25      3    3    8   11   12   14   15   20   25   31   40   48   56   61   65   68   71   75   82   88 
LCS_GDT     S   226_A     S   226_A      3    4   25      3    3    8   11   12   13   15   20   22   25   29   38   44   48   58   63   69   72   79   85 
LCS_GDT     N   227_A     N   227_A      3    6   25      1    3    3    7    9   12   15   20   22   25   30   38   44   52   58   63   68   72   80   85 
LCS_GDT     L   228_A     L   228_A      5    7   25      1    5    8   11   12   14   16   19   24   25   29   38   44   48   55   60   68   72   79   81 
LCS_GDT     E   229_A     E   229_A      5    7   25      3    5    8   11   12   14   16   18   24   25   29   33   44   48   55   60   68   72   79   81 
LCS_GDT     Q   230_A     Q   230_A      5    7   25      3    5    8   11   12   14   16   19   24   25   29   37   44   48   55   60   68   72   79   81 
LCS_GDT     E   231_A     E   231_A      5    7   25      3    5    8   11   12   14   15   16   21   23   25   27   32   38   48   57   62   69   73   79 
LCS_GDT     R   232_A     R   232_A      5    9   25      3    5    7   11   12   14   15   16   16   19   23   28   29   42   45   51   59   65   73   79 
LCS_GDT     K   233_A     K   233_A      3    9   25      3    3    4    4    6    8   10   11   16   18   19   20   21   23   25   27   32   49   58   70 
LCS_GDT     I   234_A     I   234_A      4    9   25      3    5    8   11   12   14   15   16   16   18   20   25   27   34   42   49   59   65   73   79 
LCS_GDT     N   235_A     N   235_A      5    9   25      3    4    8   11   12   14   15   16   16   18   20   24   30   35   40   49   58   62   70   79 
LCS_GDT     L   236_A     L   236_A      5    9   25      4    5    8   11   12   14   15   16   16   18   20   23   28   35   40   52   58   62   70   79 
LCS_GDT     K   237_A     K   237_A      5    9   25      4    5    8   11   12   14   15   16   16   18   19   23   26   33   38   46   58   62   70   79 
LCS_GDT     Y   238_A     Y   238_A      5    9   25      4    5    8   11   12   14   15   16   16   18   20   23   26   29   37   42   51   60   62   70 
LCS_GDT     E   239_A     E   239_A      5    9   25      4    5    8   11   12   14   15   16   16   18   20   23   26   35   40   44   54   62   64   73 
LCS_GDT     K   240_A     K   240_A      5    9   25      3    3    5    7   12   13   15   16   16   18   19   22   26   29   37   42   51   60   62   70 
LCS_AVERAGE  LCS_A:   7.45  (   1.98    3.94   16.42 )

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      6      7     14     20     28     36     41     49     59     67     71     77     82     87     90     94    100    105    110    112 
GDT PERCENT_AT   2.51   2.93   5.86   8.37  11.72  15.06  17.15  20.50  24.69  28.03  29.71  32.22  34.31  36.40  37.66  39.33  41.84  43.93  46.03  46.86
GDT RMS_LOCAL    0.27   0.57   1.10   1.46   1.81   2.15   2.35   2.89   3.32   3.57   3.71   4.00   4.18   4.67   4.58   4.83   5.14   5.52   5.87   5.96
GDT RMS_ALL_AT  24.98  20.55  26.65  26.06  26.30  26.03  26.02  24.94  24.76  24.78  25.16  25.15  25.08  25.69  25.15  24.90  24.88  25.64  25.81  25.82

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  F    75_A      F    75_A
#   possible swapping detected:  D    83_A      D    83_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  E   127_A      E   127_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   150_A      D   150_A
#   possible swapping detected:  Y   171_A      Y   171_A
#   possible swapping detected:  F   176_A      F   176_A
#   possible swapping detected:  D   188_A      D   188_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  F   192_A      F   192_A
#   possible swapping detected:  D   200_A      D   200_A
#   possible swapping detected:  Y   201_A      Y   201_A
#   possible swapping detected:  Y   204_A      Y   204_A
#   possible swapping detected:  E   229_A      E   229_A
#   possible swapping detected:  E   231_A      E   231_A
#   possible swapping detected:  Y   238_A      Y   238_A
#   possible swapping detected:  E   239_A      E   239_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N     2_A      N     2_A    20.350     0    0.553   1.397    24.398    0.000    0.000
LGA    S     3_A      S     3_A    18.363     0    0.200   0.665    18.667    0.000    0.000
LGA    T     4_A      T     4_A    18.872     0    0.411   1.155    20.777    0.000    0.000
LGA    E     5_A      E     5_A    21.355     0    0.235   0.803    25.424    0.000    0.000
LGA    N     6_A      N     6_A    17.263     0    0.152   1.008    18.969    0.000    0.000
LGA    K     7_A      K     7_A    16.518     0    0.670   0.977    22.719    0.000    0.000
LGA    N     8_A      N     8_A    10.986     0    0.022   1.258    13.021    0.000    3.333
LGA    F     9_A      F     9_A    11.064     0    0.184   0.484    19.913    0.714    0.260
LGA    V    10_A      V    10_A     6.565     0    0.060   1.056     7.893   14.762   18.980
LGA    I    11_A      I    11_A     6.149     0    0.077   1.542     8.285   18.214   13.333
LGA    S    12_A      S    12_A     5.898     0    0.081   0.609     7.016   21.429   18.810
LGA    I    13_A      I    13_A     5.584     0    0.454   0.692     7.725   15.000   22.738
LGA    S    14_A      S    14_A    10.130     0    0.434   0.682    13.327    1.786    1.190
LGA    T    15_A      T    15_A     6.115     0    0.493   0.740     7.286   21.190   19.456
LGA    A    16_A      A    16_A     2.084     0    0.380   0.421     4.215   50.595   56.762
LGA    E    17_A      E    17_A     2.381     0    0.100   1.236     6.035   54.524   41.799
LGA    Q    18_A      Q    18_A     5.555     0    0.222   0.698    12.495   25.714   13.333
LGA    R    19_A      R    19_A     5.023     0    0.157   2.127     7.382   30.595   23.160
LGA    R    20_A      R    20_A     3.336     0    0.196   1.100    12.844   46.905   22.251
LGA    N    21_A      N    21_A     2.253     0    0.210   0.983     6.253   47.976   56.012
LGA    H    22_A      H    22_A     6.789     0    0.228   0.427    12.169   19.762    8.429
LGA    I    23_A      I    23_A     3.037     0    0.137   0.983     5.485   42.381   50.298
LGA    I    24_A      I    24_A     3.886     0    0.160   0.618     9.052   46.071   29.881
LGA    E    25_A      E    25_A     3.946     0    0.313   0.800    10.984   36.190   21.376
LGA    Q    26_A      Q    26_A     5.888     0    0.219   1.128    10.943   24.405   13.280
LGA    F    27_A      F    27_A     3.134     0    0.237   1.139     6.380   42.262   59.870
LGA    T    28_A      T    28_A     3.546     0    0.190   0.307     6.214   42.381   37.347
LGA    H    29_A      H    29_A     4.633     0    0.132   1.307    10.914   32.381   16.238
LGA    Q    30_A      Q    30_A     3.398     0    0.345   0.830    10.170   61.548   31.111
LGA    N    31_A      N    31_A     5.295     0    0.131   0.552     8.061   26.071   22.976
LGA    I    32_A      I    32_A     7.083     0    0.143   1.093     9.381    7.500   22.202
LGA    P    33_A      P    33_A    13.827     0    0.152   0.271    16.170    0.000    0.000
LGA    F    34_A      F    34_A    13.560     0    0.188   0.677    16.700    0.000    2.035
LGA    E    35_A      E    35_A    16.952     0    0.241   1.141    25.196    0.000    0.000
LGA    F    36_A      F    36_A    15.465     0    0.202   0.894    16.095    0.000    0.000
LGA    F    37_A      F    37_A    15.125     0    0.154   1.145    20.747    0.000    0.000
LGA    D    38_A      D    38_A    15.375     0    0.075   0.799    21.194    0.000    0.000
LGA    A    39_A      A    39_A    10.419     0    0.607   0.652    12.341    0.119    1.048
LGA    F    40_A      F    40_A    12.171     0    0.328   1.283    17.819    0.000    0.000
LGA    T    41_A      T    41_A     9.003     0    0.152   0.881    11.620    1.667    1.361
LGA    P    42_A      P    42_A     6.683     0    0.608   0.526     6.792   16.310   20.000
LGA    S    43_A      S    43_A     7.386     0    0.767   0.897     8.835    9.286    7.460
LGA    D    44_A      D    44_A     8.327     0    0.321   1.133     9.443    7.381    7.798
LGA    K    45_A      K    45_A     5.841     0    0.522   0.681    10.602   27.381   15.820
LGA    L    46_A      L    46_A     1.897     0    0.552   0.877     7.681   64.881   40.536
LGA    T    47_A      T    47_A     2.068     0    0.114   1.324     2.773   70.833   66.054
LGA    D    48_A      D    48_A     1.235     0    0.126   1.007     4.228   77.143   67.917
LGA    H    49_A      H    49_A     1.699     0    0.108   1.384     5.920   72.976   54.429
LGA    L    50_A      L    50_A     2.711     0    0.236   0.468     5.156   59.048   46.786
LGA    Q    51_A      Q    51_A     2.802     0    0.048   1.677     3.490   57.143   60.847
LGA    R    52_A      R    52_A     2.640     0    0.172   1.193     7.236   53.810   43.160
LGA    Y    53_A      Y    53_A     3.768     0    0.031   0.778    11.120   43.452   22.738
LGA    L    54_A      L    54_A     2.679     0    0.058   1.333     7.777   71.548   46.845
LGA    P    55_A      P    55_A     2.223     0    0.045   0.059     4.116   70.952   58.231
LGA    N    56_A      N    56_A     0.659     0    0.387   1.123     5.017   81.548   64.821
LGA    V    57_A      V    57_A     1.705     0    0.129   0.294     2.443   75.000   74.150
LGA    A    58_A      A    58_A     2.475     0    0.182   0.186     3.654   57.500   57.429
LGA    N    59_A      N    59_A     3.129     0    0.114   1.146     6.442   51.905   40.298
LGA    A    60_A      A    60_A     1.859     0    0.625   0.600     2.947   68.929   66.571
LGA    A    61_A      A    61_A     3.434     0    0.358   0.334     6.293   42.262   37.238
LGA    Q    62_A      Q    62_A     7.169     0    0.467   1.147    11.126   14.048    7.249
LGA    L    63_A      L    63_A     6.288     0    0.091   1.164     8.553   14.405   13.750
LGA    T    64_A      T    64_A     6.241     0    0.220   0.365     6.511   19.524   19.116
LGA    M    65_A      M    65_A     4.419     0    0.152   0.971     5.610   34.286   36.905
LGA    G    66_A      G    66_A     4.221     0    0.195   0.195     5.096   34.524   34.524
LGA    E    67_A      E    67_A     5.484     0    0.494   1.213    11.883   30.238   15.873
LGA    K    68_A      K    68_A     2.904     0    0.217   0.845     5.806   46.667   42.963
LGA    G    69_A      G    69_A     4.449     0    0.185   0.185     4.449   45.119   45.119
LGA    C    70_A      C    70_A     0.951     0    0.254   0.418     4.049   73.452   64.683
LGA    L    71_A      L    71_A     3.079     0    0.197   1.012     7.502   37.857   34.702
LGA    M    72_A      M    72_A     9.840     0    0.162   0.764    16.737    2.738    1.369
LGA    S    73_A      S    73_A     8.300     0    0.171   0.682     9.038    5.119    6.270
LGA    H    74_A      H    74_A     6.812     0    0.174   0.548    10.155    6.190   37.571
LGA    F    75_A      F    75_A    12.710     0    0.165   1.438    19.607    0.000    0.000
LGA    M    76_A      M    76_A    17.725     0    0.281   0.871    25.044    0.000    0.000
LGA    L    77_A      L    77_A    14.283     0    0.334   0.481    15.556    0.000    0.000
LGA    W    78_A      W    78_A    15.034     0    0.217   1.204    18.976    0.000    3.469
LGA    K    79_A      K    79_A    22.294     0    0.196   1.225    26.087    0.000    0.000
LGA    K    80_A      K    80_A    23.466     0    0.220   0.833    24.656    0.000    0.000
LGA    C    81_A      C    81_A    20.087     0    0.298   1.051    21.946    0.000    0.000
LGA    I    82_A      I    82_A    25.155     0    0.125   1.498    29.233    0.000    0.000
LGA    D    83_A      D    83_A    31.241     0    0.499   1.188    34.033    0.000    0.000
LGA    E    84_A      E    84_A    30.896     0    0.439   0.773    32.847    0.000    0.000
LGA    N    85_A      N    85_A    31.086     0    0.138   1.272    33.400    0.000    0.000
LGA    L    86_A      L    86_A    24.079     0    0.082   0.988    26.645    0.000    0.000
LGA    D    87_A      D    87_A    19.975     0    0.054   0.917    21.427    0.000    0.000
LGA    Y    88_A      Y    88_A    13.431     0    0.099   1.274    15.921    0.000    4.484
LGA    I    89_A      I    89_A    11.204     0    0.103   0.497    15.011    0.714    0.357
LGA    T    90_A      T    90_A     5.409     0    0.138   0.978     7.350   24.762   34.626
LGA    L    91_A      L    91_A     4.000     0    0.229   0.910     7.087   47.619   34.940
LGA    F    92_A      F    92_A     1.397     0    0.143   0.973     5.704   71.071   51.385
LGA    E    93_A      E    93_A     3.067     0    0.281   0.977     6.952   40.357   31.217
LGA    D    94_A      D    94_A     5.251     0    0.413   0.827     9.819   18.690   35.417
LGA    D    95_A      D    95_A    11.703     0    0.169   1.006    14.663    0.714    0.357
LGA    I    96_A      I    96_A    12.711     0    0.400   1.283    14.572    0.000    0.417
LGA    L    97_A      L    97_A    17.115     0    0.182   0.979    22.085    0.000    0.000
LGA    L    98_A      L    98_A    14.330     0    0.332   1.389    17.674    0.000    0.060
LGA    G    99_A      G    99_A    19.917     0    0.404   0.404    20.971    0.000    0.000
LGA    E   100_A      E   100_A    20.959     0    0.182   1.074    21.873    0.000    0.000
LGA    N   101_A      N   101_A    17.194     0    0.328   1.014    22.477    0.000    0.000
LGA    A   102_A      A   102_A    11.476     0    0.200   0.210    13.973    1.905    1.524
LGA    N   103_A      N   103_A     6.066     0    0.276   1.034     8.681   12.143   14.524
LGA    K   104_A      K   104_A     9.401     0    0.371   1.399    15.874    2.024    0.899
LGA    F   105_A      F   105_A     8.487     0    0.233   1.496    15.786   13.810    5.022
LGA    L   106_A      L   106_A     3.475     0    0.191   0.457     8.951   49.524   34.583
LGA    A   107_A      A   107_A     4.354     0    0.248   0.255     5.861   45.357   40.571
LGA    E   108_A      E   108_A     3.718     0    0.573   0.880     6.863   37.857   32.011
LGA    G   109_A      G   109_A     3.044     0    0.386   0.386     3.098   55.476   55.476
LGA    D   110_A      D   110_A     3.586     0    0.111   0.795     6.594   37.381   27.917
LGA    W   111_A      W   111_A     7.926     0    0.331   1.285    15.135   12.143    3.503
LGA    L   112_A      L   112_A     2.787     0    0.090   0.298     4.607   52.857   52.440
LGA    K   113_A      K   113_A     4.130     0    0.167   1.256    10.236   48.690   25.873
LGA    V   114_A      V   114_A     2.040     0    0.324   0.854     6.035   57.500   45.238
LGA    R   115_A      R   115_A     3.200     0    0.566   1.168    14.529   67.262   27.056
LGA    F   116_A      F   116_A     4.142     0    0.356   1.010     7.503   32.619   37.316
LGA    N   117_A      N   117_A     8.336     0    0.512   1.233    13.891    7.500    3.750
LGA    F   118_A      F   118_A     7.673     0    0.475   0.812     8.877    7.976    6.234
LGA    Q   119_A      Q   119_A     8.473     0    0.180   1.108    14.791    7.381    3.280
LGA    E   120_A      E   120_A     5.958     0    0.589   0.596     8.912   23.095   14.921
LGA    I   121_A      I   121_A     3.884     0    0.176   0.532     8.807   50.357   28.690
LGA    F   122_A      F   122_A     2.876     0    0.050   0.524     6.218   55.833   38.355
LGA    V   123_A      V   123_A     6.780     0    0.107   0.980     9.074   12.262   12.381
LGA    L   124_A      L   124_A    10.784     0    0.064   0.952    13.506    0.357    0.238
LGA    R   125_A      R   125_A    15.679     0    0.303   1.350    25.178    0.000    0.000
LGA    L   126_A      L   126_A    19.202     0    0.207   0.914    22.402    0.000    0.000
LGA    E   127_A      E   127_A    24.285     0    0.590   1.367    27.599    0.000    0.000
LGA    T   128_A      T   128_A    27.323     0    0.666   0.887    29.193    0.000    0.000
LGA    F   129_A      F   129_A    29.120     0    0.253   0.920    30.080    0.000    0.000
LGA    L   130_A      L   130_A    29.628     0    0.528   0.672    32.509    0.000    0.000
LGA    M   131_A      M   131_A    32.774     0    0.126   1.199    34.274    0.000    0.000
LGA    P   132_A      P   132_A    31.101     0    0.662   0.655    34.349    0.000    0.000
LGA    V   133_A      V   133_A    35.136     0    0.122   0.591    37.012    0.000    0.000
LGA    Q   134_A      Q   134_A    38.091     0    0.254   0.386    39.824    0.000    0.000
LGA    L   135_A      L   135_A    40.978     0    0.456   1.215    42.070    0.000    0.000
LGA    E   136_A      E   136_A    44.871     0    0.363   1.193    48.964    0.000    0.000
LGA    K   137_A      K   137_A    51.576     0    0.444   1.720    52.436    0.000    0.000
LGA    Q   138_A      Q   138_A    53.138     0    0.223   1.318    56.622    0.000    0.000
LGA    T   139_A      T   139_A    57.304     0    0.593   0.529    58.659    0.000    0.000
LGA    Q   140_A      Q   140_A    56.888     0    0.689   0.970    60.072    0.000    0.000
LGA    I   141_A      I   141_A    56.663     0    0.116   1.388    58.309    0.000    0.000
LGA    P   142_A      P   142_A    62.036     0    0.205   0.489    64.138    0.000    0.000
LGA    P   143_A      P   143_A    61.110     0    0.149   0.360    63.331    0.000    0.000
LGA    F   144_A      F   144_A    61.785     0    0.315   0.245    64.270    0.000    0.000
LGA    Q   145_A      Q   145_A    66.195     0    0.053   1.249    72.259    0.000    0.000
LGA    Q   146_A      Q   146_A    61.949     0    0.358   0.481    64.647    0.000    0.000
LGA    R   147_A      R   147_A    55.660     0    0.158   1.791    58.089    0.000    0.000
LGA    D   148_A      D   148_A    52.866     0    0.226   1.306    55.818    0.000    0.000
LGA    I   149_A      I   149_A    48.560     0    0.282   1.537    51.249    0.000    0.000
LGA    D   150_A      D   150_A    44.679     0    0.425   0.835    48.989    0.000    0.000
LGA    I   151_A      I   151_A    41.007     0    0.286   0.329    42.335    0.000    0.000
LGA    L   152_A      L   152_A    34.804     0    0.380   1.399    37.189    0.000    0.000
LGA    T   153_A      T   153_A    34.024     0    0.549   1.506    37.412    0.000    0.000
LGA    S   154_A      S   154_A    28.487     0    0.376   0.902    30.145    0.000    0.000
LGA    K   155_A      K   155_A    25.335     0    0.108   1.164    31.354    0.000    0.000
LGA    H   156_A      H   156_A    21.239     0    0.424   0.977    25.661    0.000    0.000
LGA    F   157_A      F   157_A    19.596     0    0.322   0.527    24.768    0.000    0.000
LGA    G   158_A      G   158_A    17.049     0    0.522   0.522    17.616    0.000    0.000
LGA    T   159_A      T   159_A     9.983     0    0.109   0.662    12.691    3.810    3.741
LGA    A   160_A      A   160_A    11.982     0    0.260   0.295    14.399    0.000    0.000
LGA    G   161_A      G   161_A     8.802     0    0.235   0.235     9.613    5.833    5.833
LGA    Y   162_A      Y   162_A     4.315     0    0.171   0.693     5.829   41.429   33.175
LGA    V   163_A      V   163_A     0.605     0    0.028   1.290     3.708   65.952   74.150
LGA    I   164_A      I   164_A     5.901     0    0.171   1.549     8.140   19.167   18.393
LGA    S   165_A      S   165_A     9.927     0    0.287   0.598    13.712    0.833    1.270
LGA    Q   166_A      Q   166_A    17.017     0    0.135   1.608    22.030    0.000    0.000
LGA    G   167_A      G   167_A    15.010     0    0.197   0.197    15.825    0.000    0.000
LGA    A   168_A      A   168_A     9.323     0    0.304   0.290    12.160    0.357    2.952
LGA    A   169_A      A   169_A    14.013     0    0.130   0.130    17.353    0.000    0.000
LGA    K   170_A      K   170_A    18.384     0    0.137   1.263    25.444    0.000    0.000
LGA    Y   171_A      Y   171_A    12.377     0    0.201   0.362    14.520    0.000   15.159
LGA    L   172_A      L   172_A    10.626     0    0.176   0.546    14.646    0.000   11.607
LGA    I   173_A      I   173_A    17.153     0    0.130   0.341    21.291    0.000    0.000
LGA    A   174_A      A   174_A    17.778     0    0.098   0.105    18.386    0.000    0.000
LGA    L   175_A      L   175_A    10.744     0    0.231   0.483    13.223    0.000   10.893
LGA    F   176_A      F   176_A    12.014     0    0.320   0.479    15.963    0.000    6.234
LGA    E   177_A      E   177_A    18.290     0    0.407   0.758    24.089    0.000    0.000
LGA    K   178_A      K   178_A    15.200     0    0.083   1.298    16.881    0.000    0.000
LGA    L   179_A      L   179_A    11.116     0    0.116   0.384    12.438    0.000    2.024
LGA    T   180_A      T   180_A    10.322     0    0.115   0.321    14.427    2.976    1.701
LGA    T   181_A      T   181_A     6.651     0    0.169   1.106    10.767   15.714    9.252
LGA    E   182_A      E   182_A     2.811     0    0.144   0.916     5.818   41.310   45.714
LGA    E   183_A      E   183_A     5.399     0    0.257   1.340     9.067   30.595   17.566
LGA    I   184_A      I   184_A     3.281     0    0.089   0.832     6.662   38.214   34.881
LGA    K   185_A      K   185_A     6.789     0    0.632   1.014    12.684   18.452    8.360
LGA    P   186_A      P   186_A     5.320     0    0.447   0.491     7.457   22.143   18.571
LGA    I   187_A      I   187_A     3.543     0    0.227   0.457     7.391   29.524   47.262
LGA    D   188_A      D   188_A     9.350     0    0.248   0.907    11.159    3.690    1.845
LGA    E   189_A      E   189_A    10.921     0    0.398   1.376    16.215    1.429    0.635
LGA    I   190_A      I   190_A     4.687     0    0.266   1.362     6.909   21.071   28.274
LGA    M   191_A      M   191_A     5.000     0    0.102   0.943     8.958   18.214   31.786
LGA    F   192_A      F   192_A    11.835     0    0.093   1.095    15.209    0.357    0.130
LGA    N   193_A      N   193_A    14.302     0    0.284   0.640    19.258    0.000    0.000
LGA    Q   194_A      Q   194_A    12.197     0    0.254   1.188    16.608    0.000    0.000
LGA    Q   195_A      Q   195_A    11.775     0    0.559   0.984    12.795    0.000    0.159
LGA    I   196_A      I   196_A    11.354     0    0.354   0.958    13.535    0.000    0.000
LGA    N   197_A      N   197_A    11.599     0    0.256   1.161    13.890    0.119    0.060
LGA    A   198_A      A   198_A     6.476     0    0.604   0.629     8.025   17.381   19.143
LGA    T   199_A      T   199_A     3.202     0    0.464   0.475     5.454   50.833   44.286
LGA    D   200_A      D   200_A     0.995     0    0.462   0.899     3.594   79.405   68.571
LGA    Y   201_A      Y   201_A     2.332     0    0.136   0.530     5.526   51.190   56.151
LGA    R   202_A      R   202_A     7.645     0    0.266   1.613    11.144    9.048    4.459
LGA    V   203_A      V   203_A    11.599     0    0.155   0.705    13.813    0.000    0.068
LGA    Y   204_A      Y   204_A    13.702     0    0.274   1.326    16.049    0.000    0.079
LGA    Q   205_A      Q   205_A    17.989     0    0.128   0.997    23.868    0.000    0.000
LGA    L   206_A      L   206_A    17.772     0    0.242   0.715    21.318    0.000    0.000
LGA    N   207_A      N   207_A    24.908     0    0.228   0.926    29.862    0.000    0.000
LGA    P   208_A      P   208_A    26.136     0    0.055   0.281    27.257    0.000    0.000
LGA    A   209_A      A   209_A    22.357     0    0.503   0.596    24.284    0.000    0.000
LGA    I   210_A      I   210_A    19.787     0    0.695   1.632    21.508    0.000    0.000
LGA    C   211_A      C   211_A    17.085     0    0.278   0.982    20.151    0.000    0.000
LGA    V   212_A      V   212_A    21.508     0    0.286   0.578    26.181    0.000    0.000
LGA    Q   213_A      Q   213_A    21.678     0    0.291   1.114    22.169    0.000    0.000
LGA    E   214_A      E   214_A    23.232     0    0.540   1.247    26.810    0.000    0.000
LGA    L   215_A      L   215_A    27.478     0    0.495   1.048    30.034    0.000    0.000
LGA    Q   216_A      Q   216_A    28.612     0    0.610   1.452    30.291    0.000    0.000
LGA    L   217_A      L   217_A    32.288     0    0.493   0.924    36.915    0.000    0.000
LGA    N   218_A      N   218_A    35.857     0    0.595   1.512    36.196    0.000    0.000
LGA    Q   219_A      Q   219_A    37.177     0    0.073   1.013    38.582    0.000    0.000
LGA    E   220_A      E   220_A    39.041     0    0.039   1.116    41.973    0.000    0.000
LGA    A   221_A      A   221_A    40.993     0    0.558   0.525    44.535    0.000    0.000
LGA    S   222_A      S   222_A    42.817     0    0.441   0.826    44.534    0.000    0.000
LGA    L   223_A      L   223_A    40.409     0    0.524   0.874    42.177    0.000    0.000
LGA    L   224_A      L   224_A    39.156     0    0.598   0.752    39.979    0.000    0.000
LGA    V   225_A      V   225_A    39.768     0    0.513   0.925    41.088    0.000    0.000
LGA    S   226_A      S   226_A    38.704     0    0.499   0.976    38.704    0.000    0.000
LGA    N   227_A      N   227_A    36.899     0    0.581   0.964    40.460    0.000    0.000
LGA    L   228_A      L   228_A    40.964     0    0.373   1.350    44.987    0.000    0.000
LGA    E   229_A      E   229_A    44.876     0    0.190   1.228    49.229    0.000    0.000
LGA    Q   230_A      Q   230_A    48.786     0    0.157   1.099    52.042    0.000    0.000
LGA    E   231_A      E   231_A    49.551     0    0.167   0.818    51.802    0.000    0.000
LGA    R   232_A      R   232_A    51.386     0    0.104   1.207    56.706    0.000    0.000
LGA    K   233_A      K   233_A    55.769     0    0.445   1.728    57.966    0.000    0.000
LGA    I   234_A      I   234_A    56.834     0    0.169   1.151    58.118    0.000    0.000
LGA    N   235_A      N   235_A    57.686     0    0.207   1.292    59.981    0.000    0.000
LGA    L   236_A      L   236_A    59.110     0    0.168   1.231    62.523    0.000    0.000
LGA    K   237_A      K   237_A    63.030     0    0.205   0.770    66.234    0.000    0.000
LGA    Y   238_A      Y   238_A    63.185     0    0.122   1.652    65.604    0.000    0.000
LGA    E   239_A      E   239_A    64.980     0    0.453   1.067    68.079    0.000    0.000
LGA    K   240_A      K   240_A    70.584     0    0.476   0.887    73.103    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      239     956    956  100.00    1967   1967  100.00               239
SUMMARY(RMSD_GDC):    19.642         19.652                 20.074           15.313   13.477

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  251  239    4.0     49    2.89    17.782    15.381     1.638

LGA_LOCAL      RMSD:   2.891  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.945  Number of assigned atoms:  239 
Std_ASGN_ATOMS RMSD:  19.642  Standard rmsd on all 239 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.106245 * X  +  -0.804574 * Y  +   0.584270 * Z  +   2.261544
  Y_new =  -0.994294 * X  +  -0.080293 * Y  +   0.070235 * Z  + -33.544250
  Z_new =  -0.009596 * X  +  -0.588399 * Y  +  -0.808514 * Z  + -18.064558 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.464346  0.009597 -2.512482   [DEG:  -83.9008    0.5498 -143.9546 ]
ZXZ:  1.690432  2.512419 -3.125285   [DEG:   96.8546  143.9510 -179.0656 ]
 
# END of job
