
#######################################################
#                                                     #
#                        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  179 ( 1370),  selected  179 , name one
# Molecule2: number of CA atoms  192 ( 1472),  selected  179 , 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:    72     108_A - 179_A       4.93    18.73
  LCS_AVERAGE:     21.72

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61     118_A - 178_A       1.92    18.92
  LONGEST_CONTINUOUS_SEGMENT:    61     119_A - 179_A       1.99    18.88
  LCS_AVERAGE:     14.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28     139_A - 166_A       0.98    20.05
  LCS_AVERAGE:      5.97

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  179
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     A     1_A     A     1_A     16   22   25      3   15   23   52   65   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     L     2_A     L     2_A     16   22   25      8   24   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     V     3_A     V     3_A     16   22   25      7   28   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     I     4_A     I     4_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A     5_A     A     5_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     F     6_A     F     6_A     16   22   25     11   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     I     7_A     I     7_A     16   22   25     10   24   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     G     8_A     G     8_A     16   22   25      4    8   24   45   67   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K     9_A     K     9_A     16   22   25      4   15   32   53   65   75   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     N    10_A     N    10_A     16   22   25      9   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     G    11_A     G    11_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A    12_A     A    12_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     V    13_A     V    13_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     M    14_A     M    14_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A    15_A     A    15_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     G    16_A     G    16_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     D    17_A     D    17_A     16   22   25     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     M    18_A     M    18_A     15   22   25      8   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     R    19_A     R    19_A     10   22   25      3   21   41   61   69   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     E    20_A     E    20_A      4   22   25      3    4   30   60   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     I    21_A     I    21_A      4   22   25      7   17   39   56   69   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     T    22_A     T    22_A      4   22   25      3    4    5   20   41   55   66   80   84   87   89   89   90   92   92   93   97   98   98   99 
LCS_GDT     F    23_A     F    23_A      4    7   25      3    4    6   10   19   28   38   56   66   75   81   87   89   92   92   93   94   97   98   99 
LCS_GDT     E    24_A     E    24_A      4    7   25      3    3    5    5    6    6    7   15   23   33   42   48   56   73   82   89   93   95   96   97 
LCS_GDT     G    25_A     G    25_A      4    7   25      3    3    5    5    6    6    7    8   10   12   14   16   22   25   33   40   48   57   68   73 
LCS_GDT     E    26_A     E    26_A      4    7   13      3    3    5    5    6    6    8    8   10   12   14   18   22   25   30   31   36   43   51   57 
LCS_GDT     K    27_A     K    27_A      4    7   13      3    3    5    5    6    6    8    8    9   12   14   18   22   26   31   38   46   52   57   60 
LCS_GDT     P    28_A     P    28_A      3    7   13      3    3    5    5    6    6    8    8    9   12   14   18   22   26   30   31   34   36   39   45 
LCS_GDT     D    29_A     D    29_A      3    4   13      3    3    4    4    5    6    8    8    9   11   14   16   22   26   30   31   34   36   41   43 
LCS_GDT     R    30_A     R    30_A      3    4   27      3    3    4    4    5    6    8   11   14   18   22   25   27   30   33   35   38   39   43   49 
LCS_GDT     E    31_A     E    31_A      5    5   27      3    5    5    5    5    6    8   10   15   20   22   25   28   30   33   39   39   43   45   49 
LCS_GDT     K    32_A     K    32_A      5    5   27      3    5    5    5    5    7    9   13   15   20   22   25   28   30   34   39   39   43   45   49 
LCS_GDT     L    33_A     L    33_A      5    5   27      3    5    5    5    5    6   10   12   16   20   21   25   28   30   34   39   39   43   46   49 
LCS_GDT     E    34_A     E    34_A      5    5   27      3    5    5    5    5    6    9   10   16   20   21   25   28   30   34   39   43   49   55   58 
LCS_GDT     K    35_A     K    35_A      5    5   27      3    5    5    6    6    7   10   13   16   20   22   25   28   30   34   39   39   43   46   49 
LCS_GDT     E    36_A     E    36_A      3    4   27      3    3    5    6    6    7   10   13   16   20   22   25   28   30   34   39   39   44   49   57 
LCS_GDT     L    37_A     L    37_A      3    4   27      3    3    5    6    6    7   10   13   16   20   22   25   28   30   34   39   43   54   57   66 
LCS_GDT     Y    38_A     Y    38_A      3    5   27      3    3    4    5    6    7    8   12   15   20   22   25   32   42   47   60   68   76   82   88 
LCS_GDT     S    39_A     S    39_A      3    5   27      0    3    4    4    5    6    8   11   15   17   21   28   34   42   54   68   77   80   86   88 
LCS_GDT     G    40_A     G    40_A      3    5   27      3    3    4    5    5    9   10   13   18   21   26   32   46   56   61   72   78   83   87   94 
LCS_GDT     S    41_A     S    41_A      3    5   27      3    3    4    5    5    7    9   14   16   21   26   27   34   42   48   56   64   72   81   87 
LCS_GDT     I    42_A     I    42_A      4    5   27      3    4    4    5    5    8   11   14   18   21   26   27   34   41   48   56   67   74   82   88 
LCS_GDT     V    43_A     V    43_A      4   14   27      3    4    5    8    9   12   14   14   17   21   26   27   29   32   36   39   57   67   74   77 
LCS_GDT     T    44_A     T    44_A     13   14   27      4   11   13   13   13   13   14   14   16   20   22   25   28   30   34   37   42   45   53   59 
LCS_GDT     D    45_A     D    45_A     13   14   27      5   11   13   13   13   13   14   14   16   20   22   25   28   30   38   41   47   62   74   78 
LCS_GDT     E    46_A     E    46_A     13   14   27      4   11   13   13   13   13   14   14   17   18   22   25   28   30   34   39   43   47   59   65 
LCS_GDT     E    47_A     E    47_A     13   14   27      4   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   43   47   51   58 
LCS_GDT     M    48_A     M    48_A     13   14   27      3   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   43   47   51   65 
LCS_GDT     Q    49_A     Q    49_A     13   14   27      5   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   42   46   51   58 
LCS_GDT     K    50_A     K    50_A     13   14   27      5   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   42   46   49   57 
LCS_GDT     K    51_A     K    51_A     13   14   27      6   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   42   46   51   58 
LCS_GDT     A    52_A     A    52_A     13   14   27      6   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   42   46   50   57 
LCS_GDT     E    53_A     E    53_A     13   14   27      6   10   13   13   13   13   14   14   17   19   22   25   28   30   34   37   42   46   49   53 
LCS_GDT     E    54_A     E    54_A     13   14   27      6   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   42   45   49   53 
LCS_GDT     F    55_A     F    55_A     13   14   27      6   11   13   13   13   13   14   14   17   20   22   25   28   30   34   39   42   46   49   57 
LCS_GDT     G    56_A     G    56_A     13   14   27      6   11   13   13   13   13   14   14   17   18   22   25   28   30   34   37   42   46   49   53 
LCS_GDT     V    57_A     V    57_A      3    3   27      3    3    4    4    5    6    9   12   15   17   21   24   28   30   34   37   42   46   50   57 
LCS_GDT     K    58_A     K    58_A      3    3   26      3    3    4    4    5    7    9   10   10   13   16   20   26   30   32   37   42   45   49   57 
LCS_GDT     I    59_A     I    59_A      3    3   18      3    3    4    4    5    6    9   10   10   13   14   19   21   25   27   30   42   45   49   53 
LCS_GDT     T    60_A     T    60_A      3    3   14      3    3    3    3    3    4    6    7    9   13   14   19   21   25   27   30   35   41   49   53 
LCS_GDT     V    61_A     V    61_A      3    3   15      3    3    3    3    3    5    6    8   15   16   19   22   25   30   32   35   38   43   51   53 
LCS_GDT     A    62_A     A    62_A      3    4   17      3    3    3    3    5    9   10   10   15   16   19   22   25   30   32   35   38   43   49   53 
LCS_GDT     D    63_A     D    63_A      3    4   17      3    3    3    3    5    6    7   10   10   14   17   22   25   28   32   35   38   41   44   50 
LCS_GDT     C    64_A     C    64_A      3    6   17      3    4    5    6    6    8    8   12   15   16   18   22   25   30   32   35   38   43   49   51 
LCS_GDT     K    65_A     K    65_A      4    6   17      4    4    5    6    8   10   11   13   14   15   18   20   24   30   32   35   38   47   51   55 
LCS_GDT     E    66_A     E    66_A      4    6   17      4    4    5    6    8   10   11   13   15   16   18   22   25   30   32   36   39   48   57   64 
LCS_GDT     K    67_A     K    67_A      4    6   17      4    4    5    6    8   10   11   13   15   16   18   22   25   30   33   36   43   48   59   69 
LCS_GDT     V    68_A     V    68_A      4    6   17      4    4    5    6    8   10   11   13   15   16   18   22   25   30   32   39   53   67   74   82 
LCS_GDT     S    69_A     S    69_A      3    6   17      3    4    5    6    6    8   11   13   18   21   26   27   35   48   57   68   73   80   87   94 
LCS_GDT     E    70_A     E    70_A      3    6   17      3    3    5    5    6    8   26   32   35   45   50   61   69   77   87   95   97   98   98  100 
LCS_GDT     R    71_A     R    71_A      3    6   17      3    3    5    5    9   14   32   45   58   68   75   76   82   86   91   95   97   98   98  100 
LCS_GDT     N    72_A     N    72_A      4    6   17      3    4    5    5    6   21   26   32   38   45   56   66   73   81   85   95   97   98   98  100 
LCS_GDT     G    73_A     G    73_A      4    6   17      3    4    5    5    6   10   18   28   32   46   52   59   65   77   90   95   97   98   98  100 
LCS_GDT     V    74_A     V    74_A      4    6   17      3    4    5    5    8   11   11   19   24   29   40   45   65   74   87   95   97   98   98  100 
LCS_GDT     L    75_A     L    75_A      4    6   17      0    4    5    5    6    6    8   14   16   29   36   40   57   66   80   90   97   98   98  100 
LCS_GDT     V    76_A     V    76_A      3    3   17      0    3    4    5    8   11   23   32   35   45   57   66   74   81   90   95   97   98   98  100 
LCS_GDT     G    77_A     G    77_A      3    3   17      1    3    4    6   10   11   12   13   13   18   26   27   33   41   48   57   66   78   87   94 
LCS_GDT     E    78_A     E    78_A      3    3   17      0    3    4    5    5    7   10   13   18   21   26   27   33   41   48   57   70   81   87   94 
LCS_GDT     V    79_A     V    79_A      3    3   13      3    3    4    4    4    7   11   13   18   21   26   30   49   66   71   77   82   88   94   99 
LCS_GDT     S    80_A     S    80_A      3    3   13      3    3    3    3    4    5    7    9   18   21   26   27   33   45   71   75   82   86   93   96 
LCS_GDT     S    81_A     S    81_A      3    3   13      3    3    3    3    4    6    8   10   15   16   16   17   29   33   44   55   60   71   81   87 
LCS_GDT     A    82_A     A    82_A      3    5   13      3    3    3    4    5    6    8   10   14   19   29   40   47   61   71   75   81   86   90   94 
LCS_GDT     E    83_A     E    83_A      3    5   11      3    3    4    5    5    6    7   11   14   20   31   40   52   66   77   79   82   86   93   94 
LCS_GDT     G    84_A     G    84_A      3    5   11      3    3    4    4    5    5    7    9    9   11   13   38   45   52   54   59   62   67   88   93 
LCS_GDT     G    85_A     G    85_A      3    5   11      3    3    4    5    5    6    7   12   17   23   27   38   45   73   77   79   82   86   93   94 
LCS_GDT     V    86_A     V    86_A      3    5   11      3    3    3    4    5   14   19   39   47   66   71   74   79   82   86   90   90   95   98  100 
LCS_GDT     V    87_A     V    87_A      3    5   11      3    3    4    5   19   21   26   36   45   48   56   73   75   81   86   90   90   96   98  100 
LCS_GDT     K    88_A     K    88_A      3    5   11      3    3    4    4    4    5    5    6    8   13   17   33   38   59   70   79   85   92   98  100 
LCS_GDT     K    89_A     K    89_A      3    5   11      3    3    4    4    4    5    6    7    8   11   13   14   14   24   28   41   45   46   89   93 
LCS_GDT     R    90_A     R    90_A      4    5   11      3    4    5    5    5    6    6    7    9   11   13   14   14   15   15   17   18   19   23   28 
LCS_GDT     R    91_A     R    91_A      4    5   11      0    4    5    5    5    6    9    9   10   11   13   14   14   15   15   16   17   19   23   28 
LCS_GDT     L    92_A     L    92_A      4    5   11      0    4    5    5    5    6    6    7    7    9   10   12   12   13   15   15   17   20   21   43 
LCS_GDT     Y    93_A     Y    93_A      4    5   15      1    4    5    5    5    6    6    7    7    9   10   12   12   15   17   20   26   26   47   49 
LCS_GDT     A    94_A     A    94_A      3    5   22      1    3    5    5    5    6    9   11   13   16   19   21   22   24   26   29   36   40   47   73 
LCS_GDT     S    95_A     S    95_A      3    6   22      3    3    4    4    5    9   12   14   14   16   17   20   22   24   26   29   30   31   31   33 
LCS_GDT     A    96_A     A    96_A      3   10   22      3    3    4    6   10   11   12   14   15   18   19   21   22   24   26   29   30   31   32   33 
LCS_GDT     G    97_A     G    97_A      7   10   22      4    5    7    7   10   11   13   14   16   18   19   21   22   24   26   29   30   31   32   33 
LCS_GDT     N    98_A     N    98_A      7   10   22      4    6    7    7   10   11   13   13   16   18   19   21   22   24   26   29   31   41   45   50 
LCS_GDT     F    99_A     F    99_A      7   10   22      4    6    7    7   10   11   13   14   16   50   74   82   84   89   92   92   93   94   95   99 
LCS_GDT     A   100_A     A   100_A      7   10   22      4    6    7    7   10   26   59   77   82   87   89   89   90   92   92   93   97   98   98  100 
LCS_GDT     I   101_A     I   101_A      7   10   22      4    8   25   42   60   74   80   83   84   87   87   89   90   92   92   95   97   98   98  100 
LCS_GDT     A   102_A     A   102_A      7   10   22      4    6    7    7   11   17   21   29   35   50   58   71   80   84   87   88   93   95   96   97 
LCS_GDT     E   103_A     E   103_A      7   10   22      4    6    7    7   10   11   13   14   16   18   19   25   30   52   54   59   76   84   86   91 
LCS_GDT     L   104_A     L   104_A      5   10   22      2    4    6    7   10   11   13   14   16   18   19   24   27   42   45   49   53   56   63   68 
LCS_GDT     I   105_A     I   105_A      4   10   22      3    4    6    7   10   11   13   14   16   18   19   21   27   33   38   41   46   50   55   61 
LCS_GDT     N   106_A     N   106_A      3   10   22      3    3    4    5    9   11   13   14   16   18   19   21   24   30   32   41   46   48   52   58 
LCS_GDT     T   107_A     T   107_A      6    8   22      4    6    6    7    8    8   11   13   16   18   19   21   24   30   32   41   46   48   50   58 
LCS_GDT     E   108_A     E   108_A      6    8   72      5    6    6    7    8    8   11   13   16   18   19   21   22   24   26   32   46   48   49   55 
LCS_GDT     M   109_A     M   109_A      6    8   72      5    6    6    7    8    8   11   13   16   18   19   21   22   24   27   31   34   39   63   67 
LCS_GDT     T   110_A     T   110_A      6    8   72      5    6    6    7    8    8   11   13   16   18   19   21   22   24   27   79   82   85   90   93 
LCS_GDT     L   111_A     L   111_A      6    8   72      5    6    6    7    8    8   11   13   15   18   19   22   25   75   88   92   94   95   98   99 
LCS_GDT     T   112_A     T   112_A      6    8   72      5    6    6    7   10   29   68   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     S   113_A     S   113_A      3    8   72      0    2    4   29   44   67   73   79   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     Q   114_A     Q   114_A      3    7   72      0    3    9   16   33   54   69   74   80   86   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     G   115_A     G   115_A      3    6   72      3    3    8   17   32   54   69   73   80   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   116_A     K   116_A      3    6   72      3    3    5    8   11   29   36   61   66   73   80   84   90   92   92   95   97   98   98  100 
LCS_GDT     G   117_A     G   117_A      3    6   72      3    3    8   11   22   46   69   74   80   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     S   118_A     S   118_A      3   61   72      3    3    8   11   37   61   71   76   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     N   119_A     N   119_A     11   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     F   120_A     F   120_A     11   61   72     11   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     I   121_A     I   121_A     11   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A   122_A     A   122_A     11   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     F   123_A     F   123_A     11   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     G   124_A     G   124_A     11   61   72      3    4   24   46   67   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     N   125_A     N   125_A     12   61   72      5   14   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     E   126_A     E   126_A     17   61   72      5   20   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     F   127_A     F   127_A     17   61   72      7   25   47   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     T   128_A     T   128_A     17   61   72      7   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   129_A     K   129_A     20   61   72      6   29   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     Q   130_A     Q   130_A     20   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     V   131_A     V   131_A     20   61   72     10   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A   132_A     A   132_A     21   61   72     10   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     N   133_A     N   133_A     21   61   72      9   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   134_A     K   134_A     21   61   72      9   23   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     C   135_A     C   135_A     21   61   72      9   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     F   136_A     F   136_A     21   61   72     11   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   137_A     K   137_A     27   61   72      5   19   44   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     D   138_A     D   138_A     27   61   72      4   13   33   59   69   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     N   139_A     N   139_A     28   61   72      9   18   43   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     W   140_A     W   140_A     28   61   72      9   23   44   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     T   141_A     T   141_A     28   61   72      9   23   41   60   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   142_A     K   142_A     28   61   72      8   23   37   60   69   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   143_A     K   143_A     28   61   72      4   13   27   41   55   71   77   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     S   144_A     S   144_A     28   61   72      5   23   44   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     N   145_A     N   145_A     28   61   72      7   19   36   55   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     L   146_A     L   146_A     28   61   72      4   23   36   54   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     Q   147_A     Q   147_A     28   61   72      4   23   36   56   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     D   148_A     D   148_A     28   61   72     14   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A   149_A     A   149_A     28   61   72      5   25   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     V   150_A     V   150_A     28   61   72      9   23   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   151_A     K   151_A     28   61   72     10   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     I   152_A     I   152_A     28   61   72      9   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     L   153_A     L   153_A     28   61   72      8   31   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     I   154_A     I   154_A     28   61   72     10   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     L   155_A     L   155_A     28   61   72      9   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     C   156_A     C   156_A     28   61   72     11   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     M   157_A     M   157_A     28   61   72     10   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     E   158_A     E   158_A     28   61   72      9   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     T   159_A     T   159_A     28   61   72      8   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     V   160_A     V   160_A     28   61   72     14   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A   161_A     A   161_A     28   61   72      4   23   42   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     R   162_A     R   162_A     28   61   72      4   22   40   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   163_A     K   163_A     28   61   72      9   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     T   164_A     T   164_A     28   61   72      8   23   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A   165_A     A   165_A     28   61   72      3    4   34   50   70   76   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     S   166_A     S   166_A     28   61   72      6   23   42   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     V   167_A     V   167_A      9   61   72      3    3    8   11   32   54   73   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     S   168_A     S   168_A     10   61   72      3   27   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     K   169_A     K   169_A     10   61   72     14   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     Q   170_A     Q   170_A     10   61   72      3   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     F   171_A     F   171_A     10   61   72      3   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     M   172_A     M   172_A     10   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     I   173_A     I   173_A     10   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     V   174_A     V   174_A     10   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     Q   175_A     Q   175_A     10   61   72     18   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     T   176_A     T   176_A     10   61   72      7   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     A   177_A     A   177_A     10   61   72      7   32   49   61   70   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     S   178_A     S   178_A      3   61   72      0    3    6   56   69   77   80   83   84   87   89   89   90   92   92   95   97   98   98  100 
LCS_GDT     N   179_A     N   179_A      3   61   72      0    3   22   26   40   51   67   74   80   84   86   87   88   89   90   91   92   93   94   98 
LCS_AVERAGE  LCS_A:  14.03  (   5.97   14.39   21.72 )

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     18     32     49     61     70     77     80     83     84     87     89     89     90     92     92     95     97     98     98    100 
GDT PERCENT_AT   9.38  16.67  25.52  31.77  36.46  40.10  41.67  43.23  43.75  45.31  46.35  46.35  46.88  47.92  47.92  49.48  50.52  51.04  51.04  52.08
GDT RMS_LOCAL    7.46   0.68   1.01   1.23   1.49   1.67   1.78   1.94   2.07   2.26   2.53   2.47   2.57   2.90   2.88   3.86   3.93   4.07   4.04   4.58
GDT RMS_ALL_AT  17.97  18.36  18.42  18.46  18.63  18.45  18.43  18.54  18.69  18.75  18.97  18.87  18.93  18.91  19.09  18.40  18.47  18.43  18.42  18.03

# Checking swapping
#   possible swapping detected:  F     6_A      F     6_A
#   possible swapping detected:  E    20_A      E    20_A
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  E    83_A      E    83_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  F   123_A      F   123_A
#   possible swapping detected:  E   126_A      E   126_A
#   possible swapping detected:  E   158_A      E   158_A
#   possible swapping detected:  F   171_A      F   171_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A     3.033     0    0.290   0.393     3.918   59.167   56.000
LGA    L     2_A      L     2_A     1.362     0    0.076   0.250     2.726   77.143   72.024
LGA    V     3_A      V     3_A     1.483     0    0.050   0.101     3.223   85.952   73.673
LGA    I     4_A      I     4_A     0.585     0    0.114   1.229     2.754   88.214   81.845
LGA    A     5_A      A     5_A     1.017     0    0.041   0.100     1.941   81.548   79.810
LGA    F     6_A      F     6_A     1.427     0    0.040   0.649     4.450   81.429   66.494
LGA    I     7_A      I     7_A     2.064     0    0.012   0.693     3.008   62.976   62.083
LGA    G     8_A      G     8_A     3.164     0    0.045   0.045     3.164   55.357   55.357
LGA    K     9_A      K     9_A     3.441     0    0.050   0.171     5.606   53.690   40.899
LGA    N    10_A      N    10_A     1.677     0    0.318   1.118     2.902   81.548   70.298
LGA    G    11_A      G    11_A     0.932     0    0.123   0.123     1.205   88.214   88.214
LGA    A    12_A      A    12_A     1.289     0    0.069   0.118     1.391   81.429   81.429
LGA    V    13_A      V    13_A     0.728     0    0.048   1.118     2.814   90.476   82.041
LGA    M    14_A      M    14_A     0.748     0    0.144   1.226     4.574   90.476   72.143
LGA    A    15_A      A    15_A     1.305     0    0.102   0.157     1.629   79.286   79.714
LGA    G    16_A      G    16_A     1.261     0    0.051   0.051     1.346   81.429   81.429
LGA    D    17_A      D    17_A     1.618     0    0.131   0.222     1.753   75.000   75.000
LGA    M    18_A      M    18_A     1.487     0    0.087   0.143     2.988   77.143   71.071
LGA    R    19_A      R    19_A     2.034     0    0.466   1.103     8.912   65.119   33.593
LGA    E    20_A      E    20_A     2.205     0    0.643   0.735     4.241   66.905   54.603
LGA    I    21_A      I    21_A     3.036     0    0.042   0.160     8.402   38.929   28.155
LGA    T    22_A      T    22_A     6.483     0    0.665   0.611     8.692   15.476   19.388
LGA    F    23_A      F    23_A    11.002     0    0.640   0.506    14.153    0.714    0.303
LGA    E    24_A      E    24_A    16.129     0    0.050   1.110    18.053    0.000    0.000
LGA    G    25_A      G    25_A    22.452     0    0.709   0.709    25.102    0.000    0.000
LGA    E    26_A      E    26_A    28.130     0    0.407   1.077    34.804    0.000    0.000
LGA    K    27_A      K    27_A    24.844     0    0.613   0.546    26.265    0.000    0.000
LGA    P    28_A      P    28_A    29.434     0    0.614   0.748    32.193    0.000    0.000
LGA    D    29_A      D    29_A    27.232     0    0.258   1.091    30.707    0.000    0.000
LGA    R    30_A      R    30_A    27.021     0    0.568   1.159    30.986    0.000    0.000
LGA    E    31_A      E    31_A    28.686     0    0.629   1.111    30.964    0.000    0.000
LGA    K    32_A      K    32_A    35.526     0    0.066   0.379    42.609    0.000    0.000
LGA    L    33_A      L    33_A    35.309     0    0.053   1.383    36.678    0.000    0.000
LGA    E    34_A      E    34_A    29.749     0    0.209   1.139    31.477    0.000    0.000
LGA    K    35_A      K    35_A    30.665     0    0.447   1.163    41.631    0.000    0.000
LGA    E    36_A      E    36_A    28.487     0    0.569   1.227    31.519    0.000    0.000
LGA    L    37_A      L    37_A    22.322     0    0.603   1.433    24.530    0.000    0.000
LGA    Y    38_A      Y    38_A    17.670     0    0.548   1.560    19.218    0.000    0.000
LGA    S    39_A      S    39_A    17.308     0    0.646   0.575    18.405    0.000    0.000
LGA    G    40_A      G    40_A    17.050     0    0.622   0.622    18.759    0.000    0.000
LGA    S    41_A      S    41_A    21.798     0    0.669   0.809    24.960    0.000    0.000
LGA    I    42_A      I    42_A    22.699     0    0.565   0.615    23.574    0.000    0.000
LGA    V    43_A      V    43_A    26.582     0    0.080   1.139    28.883    0.000    0.000
LGA    T    44_A      T    44_A    29.312     0    0.609   0.552    31.707    0.000    0.000
LGA    D    45_A      D    45_A    25.917     0    0.169   0.250    28.370    0.000    0.000
LGA    E    46_A      E    46_A    30.688     0    0.023   1.289    33.410    0.000    0.000
LGA    E    47_A      E    47_A    33.937     0    0.159   0.198    38.054    0.000    0.000
LGA    M    48_A      M    48_A    30.859     0    0.124   1.188    32.886    0.000    0.000
LGA    Q    49_A      Q    49_A    31.790     0    0.122   1.198    35.280    0.000    0.000
LGA    K    50_A      K    50_A    37.309     0    0.183   0.696    43.039    0.000    0.000
LGA    K    51_A      K    51_A    38.211     0    0.096   0.829    41.388    0.000    0.000
LGA    A    52_A      A    52_A    36.893     0    0.007   0.016    39.637    0.000    0.000
LGA    E    53_A      E    53_A    40.554     0    0.231   1.013    44.584    0.000    0.000
LGA    E    54_A      E    54_A    44.402     0    0.018   1.038    46.722    0.000    0.000
LGA    F    55_A      F    55_A    43.365     0    0.213   1.185    44.397    0.000    0.000
LGA    G    56_A      G    56_A    43.360     0    0.429   0.429    43.501    0.000    0.000
LGA    V    57_A      V    57_A    41.112     0    0.608   0.599    43.819    0.000    0.000
LGA    K    58_A      K    58_A    41.883     0    0.621   0.567    42.621    0.000    0.000
LGA    I    59_A      I    59_A    41.089     0    0.540   1.481    42.693    0.000    0.000
LGA    T    60_A      T    60_A    40.125     0    0.596   0.638    40.169    0.000    0.000
LGA    V    61_A      V    61_A    39.312     0    0.572   0.602    41.519    0.000    0.000
LGA    A    62_A      A    62_A    40.057     0    0.648   0.584    40.193    0.000    0.000
LGA    D    63_A      D    63_A    39.723     0    0.069   0.249    41.862    0.000    0.000
LGA    C    64_A      C    64_A    37.296     0    0.000   0.673    41.530    0.000    0.000
LGA    K    65_A      K    65_A    31.388     0    0.581   0.883    33.720    0.000    0.000
LGA    E    66_A      E    66_A    28.293     0    0.202   0.927    32.518    0.000    0.000
LGA    K    67_A      K    67_A    23.748     0    0.160   0.753    27.998    0.000    0.000
LGA    V    68_A      V    68_A    21.159     0    0.677   0.703    24.039    0.000    0.000
LGA    S    69_A      S    69_A    19.466     0    0.612   0.554    19.874    0.000    0.000
LGA    E    70_A      E    70_A    14.066     0    0.556   1.508    16.075    0.000    0.000
LGA    R    71_A      R    71_A    12.223     0    0.627   0.704    15.712    0.000    0.000
LGA    N    72_A      N    72_A    14.478     0    0.178   0.261    16.110    0.000    0.000
LGA    G    73_A      G    73_A    13.884     0    0.055   0.055    13.928    0.000    0.000
LGA    V    74_A      V    74_A    13.824     0    0.638   0.645    15.636    0.000    0.000
LGA    L    75_A      L    75_A    13.470     0    0.667   1.453    15.560    0.000    0.000
LGA    V    76_A      V    76_A    12.041     0    0.626   1.143    15.274    0.000    0.000
LGA    G    77_A      G    77_A    16.878     0    0.623   0.623    16.878    0.000    0.000
LGA    E    78_A      E    78_A    16.957     0    0.567   0.879    18.903    0.000    0.000
LGA    V    79_A      V    79_A    15.443     0    0.585   1.376    15.502    0.000    0.000
LGA    S    80_A      S    80_A    17.199     0    0.481   0.624    20.155    0.000    0.000
LGA    S    81_A      S    81_A    20.457     0    0.519   0.440    21.437    0.000    0.000
LGA    A    82_A      A    82_A    19.048     0    0.092   0.090    19.971    0.000    0.000
LGA    E    83_A      E    83_A    18.002     0    0.219   1.038    18.665    0.000    0.000
LGA    G    84_A      G    84_A    20.848     0    0.370   0.370    21.486    0.000    0.000
LGA    G    85_A      G    85_A    19.742     0    0.621   0.621    20.109    0.000    0.000
LGA    V    86_A      V    86_A    15.249     0    0.475   0.892    17.032    0.000    0.000
LGA    V    87_A      V    87_A    14.490     0    0.607   0.599    16.281    0.000    0.000
LGA    K    88_A      K    88_A    15.252     0    0.258   1.038    18.828    0.000    0.000
LGA    K    89_A      K    89_A    16.506     0    0.041   0.590    19.744    0.000    0.000
LGA    R    90_A      R    90_A    18.360     0    0.576   1.042    27.289    0.000    0.000
LGA    R    91_A      R    91_A    17.739     0    0.345   1.427    21.978    0.000    0.000
LGA    L    92_A      L    92_A    18.022     0    0.348   0.335    20.767    0.000    0.000
LGA    Y    93_A      Y    93_A    18.581     0    0.586   1.078    18.581    0.000    0.000
LGA    A    94_A      A    94_A    18.741     0    0.657   0.623    20.096    0.000    0.000
LGA    S    95_A      S    95_A    23.735     0    0.653   0.623    26.035    0.000    0.000
LGA    A    96_A      A    96_A    27.883     0    0.491   0.446    30.387    0.000    0.000
LGA    G    97_A      G    97_A    23.983     0    0.698   0.698    25.092    0.000    0.000
LGA    N    98_A      N    98_A    17.933     0    0.048   0.867    21.717    0.000    0.000
LGA    F    99_A      F    99_A    10.753     0    0.061   1.102    18.330    1.429    0.519
LGA    A   100_A      A   100_A     5.697     0    0.100   0.149     8.013   32.024   26.571
LGA    I   101_A      I   101_A     4.115     0    0.110   0.213     7.476   27.619   25.060
LGA    A   102_A      A   102_A    10.582     0    0.123   0.201    12.347    1.190    0.952
LGA    E   103_A      E   103_A    16.586     0    0.184   1.329    19.216    0.000    0.000
LGA    L   104_A      L   104_A    22.133     0    0.068   0.717    24.562    0.000    0.000
LGA    I   105_A      I   105_A    28.589     0    0.106   1.102    34.155    0.000    0.000
LGA    N   106_A      N   106_A    30.471     0    0.246   1.226    35.192    0.000    0.000
LGA    T   107_A      T   107_A    27.746     0    0.583   0.872    31.418    0.000    0.000
LGA    E   108_A      E   108_A    23.467     0    0.034   0.818    24.973    0.000    0.000
LGA    M   109_A      M   109_A    17.874     0    0.045   0.694    20.155    0.000    0.000
LGA    T   110_A      T   110_A    13.379     0    0.027   0.113    15.231    0.000    0.000
LGA    L   111_A      L   111_A     9.757     0    0.162   0.851    12.783    3.095    1.548
LGA    T   112_A      T   112_A     4.195     0    0.676   0.811     6.214   26.786   33.673
LGA    S   113_A      S   113_A     6.089     0    0.649   0.775     9.432   19.405   14.365
LGA    Q   114_A      Q   114_A     8.427     0    0.471   1.091    13.694    7.262    3.228
LGA    G   115_A      G   115_A     8.094     0    0.607   0.607     8.404    6.071    6.071
LGA    K   116_A      K   116_A    10.493     0    0.164   1.058    18.591    0.833    0.370
LGA    G   117_A      G   117_A     7.700     0    0.274   0.274     8.790    5.714    5.714
LGA    S   118_A      S   118_A     6.065     0    0.120   0.704     9.782   33.571   23.254
LGA    N   119_A      N   119_A     1.519     0    0.612   0.857     6.967   73.214   49.464
LGA    F   120_A      F   120_A     0.363     0    0.170   1.309     5.893   92.857   68.398
LGA    I   121_A      I   121_A     1.232     0    0.110   1.170     3.238   88.214   76.786
LGA    A   122_A      A   122_A     0.865     0    0.027   0.051     1.208   88.214   88.667
LGA    F   123_A      F   123_A     0.773     0    0.133   0.893     2.767   88.214   77.229
LGA    G   124_A      G   124_A     3.010     0    0.613   0.613     3.010   67.262   67.262
LGA    N   125_A      N   125_A     1.782     0    0.084   0.773     2.843   70.833   69.940
LGA    E   126_A      E   126_A     1.262     0    0.179   1.235     4.265   77.143   69.947
LGA    F   127_A      F   127_A     1.520     0    0.049   1.401     6.880   75.000   52.424
LGA    T   128_A      T   128_A     1.149     0    0.055   0.084     1.456   81.429   81.429
LGA    K   129_A      K   129_A     1.047     0    0.084   0.689     2.927   88.214   76.243
LGA    Q   130_A      Q   130_A     0.878     0    0.033   1.324     2.613   83.810   77.989
LGA    V   131_A      V   131_A     1.142     0    0.051   0.920     2.159   79.286   76.599
LGA    A   132_A      A   132_A     1.364     0    0.113   0.114     1.968   85.952   83.333
LGA    N   133_A      N   133_A     0.498     0    0.020   1.423     3.394   95.238   82.500
LGA    K   134_A      K   134_A     1.074     0    0.125   1.115     6.915   90.595   60.265
LGA    C   135_A      C   135_A     0.942     0    0.030   0.745     3.294   90.476   82.222
LGA    F   136_A      F   136_A     0.340     0    0.037   0.224     1.637   95.238   89.004
LGA    K   137_A      K   137_A     1.721     0    0.055   0.158     3.791   71.310   62.116
LGA    D   138_A      D   138_A     2.774     0    0.270   0.241     5.038   62.857   49.524
LGA    N   139_A      N   139_A     1.986     0    0.085   1.123     3.173   70.833   65.119
LGA    W   140_A      W   140_A     1.669     0    0.027   1.593     6.543   70.833   52.823
LGA    T   141_A      T   141_A     2.402     0    0.027   0.148     2.517   60.952   62.585
LGA    K   142_A      K   142_A     2.921     0    0.025   0.570     3.842   50.238   50.952
LGA    K   143_A      K   143_A     4.373     0    0.180   0.259     7.524   38.810   26.720
LGA    S   144_A      S   144_A     1.795     0    0.091   0.659     3.155   63.095   63.730
LGA    N   145_A      N   145_A     2.808     0    0.175   1.232     3.642   61.071   58.393
LGA    L   146_A      L   146_A     2.813     0    0.024   1.380     4.818   57.143   60.238
LGA    Q   147_A      Q   147_A     2.559     0    0.000   0.310     4.712   65.000   56.190
LGA    D   148_A      D   148_A     1.056     0    0.120   0.200     1.846   86.190   80.595
LGA    A   149_A      A   149_A     1.478     0    0.046   0.046     2.274   83.690   79.905
LGA    V   150_A      V   150_A     1.624     0    0.033   0.113     2.575   77.143   69.660
LGA    K   151_A      K   151_A     1.055     0    0.072   0.218     1.513   83.690   83.492
LGA    I   152_A      I   152_A     0.553     0    0.110   0.142     1.274   90.476   89.345
LGA    L   153_A      L   153_A     0.748     0    0.040   1.083     3.955   90.476   75.119
LGA    I   154_A      I   154_A     1.145     0    0.068   0.379     2.682   88.214   79.643
LGA    L   155_A      L   155_A     1.000     0    0.076   1.480     4.444   85.952   73.988
LGA    C   156_A      C   156_A     0.244     0    0.102   0.185     1.102   97.619   95.317
LGA    M   157_A      M   157_A     0.918     0    0.037   0.988     5.059   85.952   72.857
LGA    E   158_A      E   158_A     1.239     0    0.046   0.409     2.940   81.429   74.974
LGA    T   159_A      T   159_A     0.796     0    0.029   0.110     1.461   90.476   87.891
LGA    V   160_A      V   160_A     0.691     0    0.188   0.321     2.686   83.810   76.871
LGA    A   161_A      A   161_A     1.961     0    0.087   0.091     2.267   72.976   71.333
LGA    R   162_A      R   162_A     1.875     0    0.417   1.174     7.276   65.119   50.866
LGA    K   163_A      K   163_A     1.184     0    0.237   0.399     1.379   81.429   85.450
LGA    T   164_A      T   164_A     1.420     0    0.095   0.933     3.338   73.095   73.469
LGA    A   165_A      A   165_A     3.156     0    0.080   0.092     3.721   53.810   51.714
LGA    S   166_A      S   166_A     2.403     0    0.668   0.568     5.490   51.786   56.111
LGA    V   167_A      V   167_A     4.441     0    0.202   0.219     8.824   54.167   34.286
LGA    S   168_A      S   168_A     1.436     0    0.186   0.714     4.402   79.524   66.429
LGA    K   169_A      K   169_A     1.286     0    0.071   0.259     7.151   83.690   56.085
LGA    Q   170_A      Q   170_A     1.727     0    0.033   0.776     3.584   72.857   65.291
LGA    F   171_A      F   171_A     1.687     0    0.092   1.310     6.434   72.857   54.762
LGA    M   172_A      M   172_A     1.989     0    0.060   1.032     5.041   77.143   59.881
LGA    I   173_A      I   173_A     1.134     0    0.011   1.141     2.720   79.286   72.202
LGA    V   174_A      V   174_A     1.343     0    0.043   0.216     2.088   83.690   77.891
LGA    Q   175_A      Q   175_A     1.532     0    0.066   1.075     3.537   72.857   71.481
LGA    T   176_A      T   176_A     2.318     0    0.086   1.094     3.764   66.786   61.769
LGA    A   177_A      A   177_A     2.247     0    0.662   0.644     3.193   65.238   63.619
LGA    S   178_A      S   178_A     2.255     0    0.650   0.837     5.795   49.048   41.508
LGA    N   179_A      N   179_A     7.653     0    0.570   1.290    10.585   11.310    6.488

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      179     716    716  100.00    1370   1370  100.00               192
SUMMARY(RMSD_GDC):    14.423         14.403                 14.864           32.905   29.507

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  179  192    4.0     83    1.94    35.286    32.067     4.076

LGA_LOCAL      RMSD:   1.936  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.544  Number of assigned atoms:  179 
Std_ASGN_ATOMS RMSD:  14.423  Standard rmsd on all 179 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.396065 * X  +   0.705885 * Y  +  -0.587246 * Z  +  47.709698
  Y_new =   0.096518 * X  +   0.668008 * Y  +   0.737868 * Z  + -208.749847
  Z_new =   0.913136 * X  +   0.235564 * Y  +  -0.332705 * Z  + -132.434402 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.902560 -1.150911  2.525500   [DEG:  166.3045  -65.9423  144.7005 ]
ZXZ: -2.469376  1.909967  1.318328   [DEG: -141.4848  109.4331   75.5346 ]
 
# END of job
