
#######################################################
#                                                     #
#                        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  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , 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:    68      73_A - 140_A       4.98    18.83
  LONGEST_CONTINUOUS_SEGMENT:    68      74_A - 141_A       5.00    18.73
  LCS_AVERAGE:     24.92

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      54_A - 84_A        1.90    18.00
  LONGEST_CONTINUOUS_SEGMENT:    31     146_A - 176_A       1.58    26.47
  LCS_AVERAGE:      8.44

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25     146_A - 170_A       0.96    27.04
  LCS_AVERAGE:      5.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
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     G     1_A     G     1_A      4    5   12      3    3    5    5    5    5    5    5    5    5    9    9   11   12   15   18   21   23   24   26 
LCS_GDT     I     2_A     I     2_A      4    5   14      3    4    5    5    5    6    7    8    9    9   10   10   12   14   15   18   21   23   26   36 
LCS_GDT     D     3_A     D     3_A      4    5   14      3    4    5    5    5    6    7    8    9    9   10   11   13   14   15   28   29   32   38   40 
LCS_GDT     P     4_A     P     4_A      4    5   14      3    4    5    5    5    6    7    8    9   10   13   18   19   19   19   20   33   37   38   40 
LCS_GDT     F     5_A     F     5_A      4    5   14      3    4    5    5    5    6    7    8    9   15   16   18   19   19   20   21   22   24   26   56 
LCS_GDT     T     6_A     T     6_A      3    5   14      3    3    4    5    5    6    7    8    9   15   16   18   19   19   20   21   53   57   59   63 
LCS_GDT     W     7_A     W     7_A      3    7   14      3    3    4    4    6    7    7    8   16   16   16   28   36   38   44   49   52   57   64   67 
LCS_GDT     G     8_A     G     8_A      4    7   14      3    3    6    8   10   11   14   22   22   27   33   37   43   46   57   62   70   73   86   90 
LCS_GDT     F     9_A     F     9_A      4    7   14      3    4    4    6   10   11   17   22   25   27   33   37   44   51   57   63   70   74   86   90 
LCS_GDT     G    10_A     G    10_A      4    7   14      4    4    5    6    6   11   17   20   25   27   32   37   44   51   54   62   65   70   86   90 
LCS_GDT     G    11_A     G    11_A      4    7   14      4    4    5    6    7   12   14   22   23   28   33   39   51   54   58   63   70   77   86   94 
LCS_GDT     S    12_A     S    12_A      4    7   14      4    4    5    6    6    7    7   14   18   20   24   29   51   54   58   68   77   85   92   96 
LCS_GDT     S    13_A     S    13_A      4    7   24      4    4    5    6    6    7    8   14   18   20   24   28   33   43   49   65   77   85   92   96 
LCS_GDT     K    14_A     K    14_A      3    5   25      1    3    3    5    5    6   10   11   15   27   29   37   45   54   65   73   81   87   96  102 
LCS_GDT     E    15_A     E    15_A      5    5   26      4    4    5    6    7    8   11   14   18   20   29   35   38   44   52   63   72   86   91   99 
LCS_GDT     K    16_A     K    16_A      5    5   29      4    4    5    6    7    8   10   14   18   20   25   28   36   44   55   65   77   86   93  102 
LCS_GDT     P    17_A     P    17_A      5   16   29      4    4    5    6   11   14   15   17   19   20   25   35   38   48   53   62   80   87   95  102 
LCS_GDT     N    18_A     N    18_A     14   16   29     12   13   13   15   16   17   17   18   19   22   24   27   33   40   45   56   68   73   88   95 
LCS_GDT     Y    19_A     Y    19_A     14   16   29     12   13   13   15   16   17   17   18   19   22   24   37   41   43   47   52   68   77   88   95 
LCS_GDT     D    20_A     D    20_A     14   16   29     12   13   13   15   16   17   17   18   19   22   24   26   28   31   34   42   49   56   59   65 
LCS_GDT     Y    21_A     Y    21_A     14   16   29     12   13   13   15   16   17   17   18   21   23   24   26   28   33   47   57   64   72   81   88 
LCS_GDT     S    22_A     S    22_A     14   16   29     12   13   13   15   16   17   17   18   21   23   24   26   28   33   36   40   41   43   47   66 
LCS_GDT     A    23_A     A    23_A     14   16   29     12   13   13   15   16   17   17   18   21   23   24   26   28   33   38   46   50   56   60   82 
LCS_GDT     D    24_A     D    24_A     14   16   29     12   13   13   15   16   17   17   18   21   23   24   40   44   57   60   69   80   86   92   99 
LCS_GDT     K    25_A     K    25_A     14   16   29     12   13   13   15   16   17   17   18   24   34   40   44   45   49   52   60   67   72   81   87 
LCS_GDT     K    26_A     K    26_A     14   16   29     12   13   13   15   16   17   17   18   21   23   24   26   28   49   52   55   57   62   65   68 
LCS_GDT     L    27_A     L    27_A     14   16   29     12   13   13   15   16   17   17   18   24   34   40   44   45   53   56   64   67   76   87   94 
LCS_GDT     I    28_A     I    28_A     14   16   29     12   13   13   15   16   17   17   18   24   34   40   47   49   53   60   64   70   76   86   90 
LCS_GDT     E    29_A     E    29_A     14   16   29     12   13   13   15   16   17   17   18   21   34   40   44   45   49   52   55   60   67   75   78 
LCS_GDT     I    30_A     I    30_A     14   16   29      6   13   13   15   16   17   17   18   24   34   40   44   45   49   52   55   63   68   75   81 
LCS_GDT     N    31_A     N    31_A     14   16   29      3    6   12   14   14   17   17   18   24   34   40   44   45   49   56   60   67   72   81   87 
LCS_GDT     T    32_A     T    32_A      7   16   29      3    4    7    7    8   13   16   17   19   23   24   30   30   37   39   55   57   62   65   66 
LCS_GDT     R    33_A     R    33_A      7   10   29      5    6    7    7   10   14   17   18   21   23   40   44   45   49   52   55   63   71   79   86 
LCS_GDT     P    34_A     P    34_A      7   10   29      5    6    7    7   10   14   17   18   24   34   44   47   53   57   64   73   74   83   88   92 
LCS_GDT     I    35_A     I    35_A      7   10   29      5    6    7    7   12   23   27   36   44   46   52   59   65   71   77   81   86   91   97  102 
LCS_GDT     S    36_A     S    36_A      7   10   29      5    6    7    9   15   23   32   38   45   50   53   60   66   71   77   81   87   93   98  104 
LCS_GDT     T    37_A     T    37_A      7   10   52      5    6    7   11   12   20   31   40   43   47   51   59   65   71   75   79   85   89   97  102 
LCS_GDT     D    38_A     D    38_A      6    9   60      4    5    6    7   12   21   29   38   42   49   56   65   68   71   76   80   85   93   98  104 
LCS_GDT     N    39_A     N    39_A      6    8   60      4    6   15   20   24   29   36   42   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     A    40_A     A    40_A      6    8   60      4    5    6   13   16   25   32   39   47   54   60   65   68   71   76   83   87   93   98  104 
LCS_GDT     K    41_A     K    41_A      6    8   60      3    5    6    7    9   14   17   22   28   36   46   54   59   68   72   78   81   86   91   96 
LCS_GDT     Y    42_A     Y    42_A      6    8   60      3    5    6    7    8    9   16   18   24   30   33   51   62   67   72   78   81   84   91   96 
LCS_GDT     W    43_A     W    43_A      4    8   60      3    5    5    7    8    9   10   11   12   26   31   35   44   56   70   78   81   82   87   94 
LCS_GDT     C    44_A     C    44_A      3    8   60      3    5    5    5    6    9   16   18   33   45   56   62   68   70   75   80   82   88   97  104 
LCS_GDT     F    45_A     F    45_A      3    4   60      3    4    4    5    6    7    8   11   14   18   21   24   29   32   36   43   63   67   80   86 
LCS_GDT     D    46_A     D    46_A      4    4   60      1    4    4    5    5    5    7   13   16   19   21   27   33   39   56   73   81   82   90   96 
LCS_GDT     K    47_A     K    47_A      4    4   60      3    3    4    5    6    9   20   27   34   47   56   65   68   71   75   83   87   93   98  104 
LCS_GDT     G    48_A     G    48_A      4    4   60      3    5    5   11   17   24   31   39   46   53   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     N    49_A     N    49_A      4    4   60      5   13   18   21   24   28   36   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     D    50_A     D    50_A      3    4   60      5   13   18   21   24   28   36   43   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     L    51_A     L    51_A      3    4   60      5   13   18   21   28   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     G    52_A     G    52_A      3    4   60      3    3    4    6    8   11   12   31   44   54   59   65   68   72   77   83   87   93   98  104 
LCS_GDT     C    53_A     C    53_A      3    4   60      3    5   12   20   24   30   36   44   50   54   60   65   68   71   76   83   87   93   98  104 
LCS_GDT     L    54_A     L    54_A      3   31   60      3    3    4   21   28   34   39   44   50   54   60   65   68   71   76   83   87   93   98  104 
LCS_GDT     S    55_A     S    55_A     22   31   60     11   16   21   25   30   32   39   43   47   53   58   61   68   71   76   83   87   93   98  104 
LCS_GDT     L    56_A     L    56_A     22   31   60     11   16   21   25   30   34   39   43   49   54   58   62   68   71   76   80   84   93   98  104 
LCS_GDT     E    57_A     E    57_A     22   31   60     11   16   21   25   30   32   39   43   48   54   58   62   68   71   76   80   84   90   98  104 
LCS_GDT     K    58_A     K    58_A     22   31   60     11   15   21   25   30   34   39   44   50   54   59   65   68   71   76   83   87   93   98  104 
LCS_GDT     L    59_A     L    59_A     22   31   60     11   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   86   93   98  104 
LCS_GDT     E    60_A     E    60_A     22   31   60     11   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   88   97  104 
LCS_GDT     A    61_A     A    61_A     22   31   60     11   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   88   97  104 
LCS_GDT     L    62_A     L    62_A     22   31   60     11   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   88   97  104 
LCS_GDT     E    63_A     E    63_A     22   31   60     11   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   87   92   98 
LCS_GDT     S    64_A     S    64_A     22   31   60     11   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   86   91   96 
LCS_GDT     K    65_A     K    65_A     22   31   60     11   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   87   91   96 
LCS_GDT     D    66_A     D    66_A     22   31   60      4   14   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   87   92   98 
LCS_GDT     L    67_A     L    67_A     22   31   60      8   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   87   93   98 
LCS_GDT     K    68_A     K    68_A     22   31   60      8   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   83   87   92   98 
LCS_GDT     K    69_A     K    69_A     22   31   60      8   12   21   25   30   34   39   44   50   54   60   65   68   71   76   80   84   87   95  104 
LCS_GDT     V    70_A     V    70_A     22   31   60      8   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   86   93   98  104 
LCS_GDT     V    71_A     V    71_A     22   31   60      8   16   21   25   30   34   39   44   50   54   60   65   68   71   76   80   85   93   98  104 
LCS_GDT     K    72_A     K    72_A     22   31   60      8   14   21   25   30   34   39   44   50   54   60   65   68   71   76   80   85   93   98  104 
LCS_GDT     F    73_A     F    73_A     22   31   68      8   16   21   25   30   34   39   44   50   54   60   65   68   71   76   83   87   93   98  104 
LCS_GDT     Y    74_A     Y    74_A     22   31   68      8   16   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     E    75_A     E    75_A     22   31   68      9   14   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     K    76_A     K    76_A     22   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     T    77_A     T    77_A     14   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     I    78_A     I    78_A     14   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     P    79_A     P    79_A     14   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     E    80_A     E    80_A     14   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     Y    81_A     Y    81_A     14   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     C    82_A     C    82_A     14   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     Y    83_A     Y    83_A     14   31   68      9   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     D    84_A     D    84_A      8   31   68      3   12   16   18   24   28   36   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     K    85_A     K    85_A      3   17   68      3    3    8   13   23   27   32   39   46   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     K    86_A     K    86_A      4   13   68      3    3    4    7   15   23   32   40   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     F    87_A     F    87_A      4    5   68      3    3    6   14   21   29   36   43   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     A    88_A     A    88_A      4    5   68      3    3    4    6   10   21   31   39   46   53   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     P    89_A     P    89_A      4    5   68      3    3    4    4    6    7   14   17   21   25   40   48   59   70   74   79   85   90   97  102 
LCS_GDT     A    90_A     A    90_A      3    5   68      3    3    5    5    7    8   17   32   43   45   50   57   64   71   77   81   87   93   98  104 
LCS_GDT     C    91_A     C    91_A      3    6   68      3    4    6    9   22   30   36   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     N    92_A     N    92_A      4    6   68      3    8   17   23   29   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     I    93_A     I    93_A      4    6   68      3   11   17   24   29   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     P    94_A     P    94_A      4   15   68      4   12   21   25   30   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     A    95_A     A    95_A      5   15   68      4   10   18   25   29   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     I    96_A     I    96_A      5   15   68      4    5    6   13   19   30   37   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     D    97_A     D    97_A      5   15   68      4    5    6   13   15   19   34   41   50   54   60   65   68   71   76   80   86   93   98  104 
LCS_GDT     L    98_A     L    98_A     11   15   68      4    9   11   18   29   32   34   38   44   52   58   61   67   71   77   81   87   93   98  104 
LCS_GDT     I    99_A     I    99_A     11   15   68     10   10   11   13   17   26   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     Q   100_A     Q   100_A     11   15   68     10   10   11   13   17   26   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     Q   101_A     Q   101_A     11   15   68     10   10   11   17   21   28   33   40   45   52   58   61   66   72   77   83   87   93   98  104 
LCS_GDT     K   102_A     K   102_A     11   15   68     10   10   11   13   17   26   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     L   103_A     L   103_A     11   15   68     10   10   11   13   17   26   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     S   104_A     S   104_A     11   15   68     10   10   11   13   17   26   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     Y   105_A     Y   105_A     11   15   68     10   10   11   13   17   26   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     Y   106_A     Y   106_A     11   15   68     10   10   11   13   17   23   31   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     V   107_A     V   107_A     11   15   68     10   10   11   13   17   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     R   108_A     R   108_A     11   15   68     10   10   11   13   19   24   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     N   109_A     N   109_A      4   15   68      4    4    6   10   18   24   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     D   110_A     D   110_A      4   13   68      4    4    6    8   12   23   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     I   111_A     I   111_A      4    7   68      4    7    8   13   17   26   30   37   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     D   112_A     D   112_A      4    7   68      4    4    5    7   16   26   29   35   41   46   53   61   66   72   77   83   87   93   98  104 
LCS_GDT     N   113_A     N   113_A      3    7   68      3    4    6   10   17   26   30   36   42   49   54   61   66   72   77   83   87   93   98  104 
LCS_GDT     K   114_A     K   114_A      3    6   68      3    4    4   11   16   22   30   37   42   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     T   115_A     T   115_A     16   19   68      4   10   16   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     I   116_A     I   116_A     16   20   68      4   14   18   21   24   27   32   40   44   50   56   59   66   71   77   82   87   93   98  104 
LCS_GDT     K   117_A     K   117_A     16   20   68      4    5    9   16   21   27   32   39   45   51   57   60   66   72   77   83   87   93   98  104 
LCS_GDT     T   118_A     T   118_A     16   20   68      7   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     F   119_A     F   119_A     16   20   68     11   14   18   21   24   26   32   40   44   50   56   60   66   71   77   82   87   93   98  104 
LCS_GDT     Y   120_A     Y   120_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   60   66   72   77   83   87   93   98  104 
LCS_GDT     S   121_A     S   121_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     D   122_A     D   122_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     Y   123_A     Y   123_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     A   124_A     A   124_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     K   125_A     K   125_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     A   126_A     A   126_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     L   127_A     L   127_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     S   128_A     S   128_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     E   129_A     E   129_A     16   20   68     11   14   18   21   24   27   32   40   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     S   130_A     S   130_A     16   20   68      7   14   17   21   24   27   32   39   45   51   57   61   66   72   77   83   87   93   98  104 
LCS_GDT     K   131_A     K   131_A     16   20   68      4   12   17   21   24   27   32   40   45   51   57   64   66   72   77   83   87   93   98  104 
LCS_GDT     A   132_A     A   132_A      9   20   68      3    7    9   13   17   26   32   40   45   51   57   65   68   72   77   83   87   93   98  104 
LCS_GDT     D   133_A     D   133_A      9   20   68      3    7   11   16   23   30   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     V   134_A     V   134_A      9   20   68      4    7    9   13   22   28   38   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     K   135_A     K   135_A      9   20   68      4   12   18   21   24   27   35   43   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     M   136_A     M   136_A      9   20   68      4    7    9   16   25   29   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     L   137_A     L   137_A      9   20   68      4    7   11   16   27   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     E   138_A     E   138_A      9   11   68      4    7    9   10   26   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     Y   139_A     Y   139_A      9   11   68      1   10   17   19   26   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     G   140_A     G   140_A      5   10   68      3    4    5   19   29   34   39   44   50   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     C   141_A     C   141_A      5   10   68      4    5    5   14   22   25   29   34   40   46   52   60   65   70   75   79   86   92   98  103 
LCS_GDT     N   142_A     N   142_A      5    7   65      4    5    5    7   12   22   29   34   40   46   52   60   65   69   74   77   84   88   94  102 
LCS_GDT     E   143_A     E   143_A      5    7   53      4    5    5    6   10   12   25   29   38   46   52   57   62   66   71   76   84   88   94   99 
LCS_GDT     L   144_A     L   144_A      5    7   50      4    5    5    7   19   24   28   34   40   46   52   57   62   66   74   77   84   88   94  102 
LCS_GDT     K   145_A     K   145_A      5   30   50      4    5    5    7   20   25   28   33   39   46   52   57   62   69   74   77   84   88   94  102 
LCS_GDT     S   146_A     S   146_A     25   31   50      7   21   24   27   28   30   35   40   47   53   57   61   65   71   76   79   85   92   98  102 
LCS_GDT     A   147_A     A   147_A     25   31   50      7   21   23   27   29   31   34   38   42   49   52   60   65   67   71   76   80   86   91   97 
LCS_GDT     Y   148_A     Y   148_A     25   31   50      7   21   23   27   29   31   34   36   42   48   52   60   65   67   71   76   80   88   92   97 
LCS_GDT     I   149_A     I   149_A     25   31   49      7   21   24   27   28   30   31   33   36   38   45   50   54   60   67   72   75   80   82   88 
LCS_GDT     C   150_A     C   150_A     25   31   49      9   21   24   27   28   30   31   34   36   38   45   50   53   59   64   71   75   79   82   85 
LCS_GDT     R   151_A     R   151_A     25   31   49      7   21   24   27   28   30   31   34   36   38   40   43   46   59   63   66   74   78   82   85 
LCS_GDT     D   152_A     D   152_A     25   31   49      8   18   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     L   153_A     L   153_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     R   154_A     R   154_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     D   155_A     D   155_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     M   156_A     M   156_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     Y   157_A     Y   157_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     K   158_A     K   158_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     Y   159_A     Y   159_A     25   31   49      7   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     L   160_A     L   160_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   55   60   67   72   76   79 
LCS_GDT     G   161_A     G   161_A     25   31   49      9   21   24   27   28   30   31   34   36   38   40   43   46   52   55   60   67   72   76   79 
LCS_GDT     D   162_A     D   162_A     25   31   49     11   21   24   27   28   30   31   34   36   38   40   43   46   52   55   58   67   72   76   79 
LCS_GDT     K   163_A     K   163_A     25   31   49     11   21   24   27   28   30   31   34   36   38   40   43   46   52   55   60   67   72   76   79 
LCS_GDT     E   164_A     E   164_A     25   31   49     11   21   24   27   28   30   31   32   36   38   40   43   46   48   53   57   64   72   76   79 
LCS_GDT     K   165_A     K   165_A     25   31   49     11   21   24   27   28   30   31   34   36   38   40   43   46   52   55   60   67   72   76   79 
LCS_GDT     T   166_A     T   166_A     25   31   49     11   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     K   167_A     K   167_A     25   31   49     11   21   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     E   168_A     E   168_A     25   31   49     11   16   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     Y   169_A     Y   169_A     25   31   49     11   16   24   27   28   30   31   34   36   38   40   43   46   52   56   61   67   72   76   79 
LCS_GDT     N   170_A     N   170_A     25   31   49     11   15   24   27   28   30   31   34   36   38   40   43   46   52   56   62   67   72   76   79 
LCS_GDT     D   171_A     D   171_A     23   31   49     11   16   24   27   28   30   31   34   36   38   40   43   50   59   63   64   67   73   77   81 
LCS_GDT     K   172_A     K   172_A     21   31   49     11   15   21   24   28   30   31   34   36   38   45   50   53   59   64   71   74   78   82   85 
LCS_GDT     M   173_A     M   173_A     21   31   49     11   15   20   25   28   30   31   34   36   40   45   50   56   62   67   71   75   79   82   87 
LCS_GDT     K   174_A     K   174_A     21   31   49     11   16   24   27   29   31   32   34   38   41   45   51   56   62   67   71   73   78   82   85 
LCS_GDT     N   175_A     N   175_A     21   31   49      5   15   21   24   27   30   31   34   40   45   52   55   62   65   69   74   79   80   91   96 
LCS_GDT     G   176_A     G   176_A     21   31   49      5   15   20   24   26   29   31   34   43   52   57   61   65   70   74   79   84   86   91   97 
LCS_GDT     D   177_A     D   177_A      7   30   49      4    6    6    8   11   21   26   29   31   34   40   60   68   71   76   80   84   88   96  102 
LCS_GDT     E   178_A     E   178_A      7   10   49      4    6    6    8   18   25   31   41   47   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     K   179_A     K   179_A      7   10   49      4    6    6    8   11   14   16   23   27   32   38   55   63   69   77   83   87   93   98  104 
LCS_GDT     W   180_A     W   180_A      7   10   49      4    6    6    8   11   14   16   23   28   32   38   44   56   61   68   75   84   93   98  102 
LCS_GDT     N   181_A     N   181_A      7   10   49      4    6    7   17   24   29   34   42   48   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     S   182_A     S   182_A      7   10   49      3    5    6   10   16   21   29   38   42   50   58   65   68   71   77   83   87   93   98  104 
LCS_GDT     V   183_A     V   183_A      5    8   49      4    5    6    8   12   21   29   38   42   49   57   64   68   71   77   80   86   93   98  102 
LCS_GDT     L   184_A     L   184_A      5    6   49      4    5    6    8   16   21   29   38   42   49   56   64   68   71   77   83   87   93   98  104 
LCS_GDT     Y   185_A     Y   185_A      5    6   49      4    5    6   11   20   23   29   38   45   51   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     D   186_A     D   186_A      5    6   49      4    5    6    8   14   21   28   35   45   51   60   65   68   71   77   81   87   93   98  104 
LCS_GDT     Y   187_A     Y   187_A      4    6   49      4    4    4   11   17   21   26   29   31   41   41   47   60   64   75   80   83   87   92   99 
LCS_GDT     K   188_A     K   188_A      4    5   49      4    4    4   13   18   31   39   42   47   54   58   65   68   71   76   80   85   93   98  102 
LCS_GDT     H   189_A     H   189_A      4    5   49      4    4    5   16   24   29   34   42   47   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     M   190_A     M   190_A      4    5   49      4    4    6   13   21   28   32   39   47   53   60   65   68   71   77   81   87   93   98  104 
LCS_GDT     R   191_A     R   191_A      4    5   49      4    4   11   17   24   29   34   42   47   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     Y   192_A     Y   192_A      5    6   49      4    5    6   11   16   24   32   41   47   54   60   65   68   72   77   83   87   93   98  104 
LCS_GDT     I   193_A     I   193_A      5    6   49      4    5    9   13   14   22   31   40   42   47   48   51   54   61   63   73   77   83   89   96 
LCS_GDT     H   194_A     H   194_A      5    6   49      4    5    6    7    9   19   25   30   36   41   45   50   52   53   56   60   70   79   80   87 
LCS_GDT     G   195_A     G   195_A      5    6   49      4    5    6    7   15   22   30   40   43   47   50   55   62   67   76   80   85   90   97  104 
LCS_GDT     G   196_A     G   196_A      5   12   49      3    5    6    6    9   11   14   17   29   35   45   51   54   59   68   75   80   83   90   96 
LCS_GDT     Y   197_A     Y   197_A     10   12   49      3    8   10   10   11   12   13   17   20   29   33   38   41   45   48   58   62   68   76   84 
LCS_GDT     S   198_A     S   198_A     10   12   49      5    9   10   10   11   11   12   14   16   22   30   34   37   43   48   53   62   68   74   84 
LCS_GDT     S   199_A     S   199_A     10   12   32      6    9   10   10   11   11   12   14   16   16   16   18   20   24   25   27   46   47   51   57 
LCS_GDT     W   200_A     W   200_A     10   12   17      3    9   10   10   11   11   12   14   16   16   16   18   19   24   29   33   40   44   48   57 
LCS_GDT     W   201_A     W   201_A     10   12   17      5    9   10   10   11   11   12   14   16   16   24   27   33   37   43   48   52   53   62   68 
LCS_GDT     L   202_A     L   202_A     10   12   17      6    9   10   10   11   11   12   14   16   16   16   19   21   24   29   33   40   47   51   57 
LCS_GDT     L   203_A     L   203_A     10   12   17      6    9   10   10   11   11   12   14   16   16   16   19   20   24   25   27   29   31   33   40 
LCS_GDT     E   204_A     E   204_A     10   12   17      6    9   10   10   11   11   12   14   16   16   16   19   20   24   26   29   32   36   39   43 
LCS_GDT     K   205_A     K   205_A     10   12   17      6    9   10   10   11   11   12   14   16   16   16   19   20   24   25   27   29   33   37   57 
LCS_GDT     I   206_A     I   206_A     10   12   17      6    9   10   10   11   11   12   14   16   16   16   19   20   24   25   27   29   31   33   37 
LCS_GDT     K   207_A     K   207_A      7   12   17      3    3    3    8   11   11   11   12   14   14   15   19   20   24   25   27   28   30   33   37 
LCS_AVERAGE  LCS_A:  13.07  (   5.84    8.44   24.92 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     12     21     24     27     30     34     39     44     50     54     60     65     68     72     77     83     87     93     98    104 
GDT PERCENT_AT   5.80  10.14  11.59  13.04  14.49  16.43  18.84  21.26  24.15  26.09  28.99  31.40  32.85  34.78  37.20  40.10  42.03  44.93  47.34  50.24
GDT RMS_LOCAL    0.27   0.69   1.00   1.11   1.57   1.81   2.14   2.51   2.82   3.08   3.48   3.72   3.93   4.66   4.88   5.25   5.40   5.76   6.03   6.53
GDT RMS_ALL_AT  34.82  27.21  26.43  26.84  18.05  18.22  18.30  18.60  18.61  18.60  19.14  19.01  19.27  18.63  18.67  18.74  18.72  18.65  18.59  18.98

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  F    73_A      F    73_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  Y   120_A      Y   120_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  Y   148_A      Y   148_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  D   171_A      D   171_A
#   possible swapping detected:  D   177_A      D   177_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    42.729     0    0.146   0.146    42.893    0.000    0.000
LGA    I     2_A      I     2_A    41.285     0    0.075   0.129    41.694    0.000    0.000
LGA    D     3_A      D     3_A    38.388     0    0.066   1.076    39.216    0.000    0.000
LGA    P     4_A      P     4_A    39.763     0    0.674   0.586    42.641    0.000    0.000
LGA    F     5_A      F     5_A    36.406     0    0.146   1.108    38.469    0.000    0.000
LGA    T     6_A      T     6_A    37.727     0    0.408   0.356    41.463    0.000    0.000
LGA    W     7_A      W     7_A    34.150     0    0.644   0.850    37.548    0.000    0.000
LGA    G     8_A      G     8_A    28.660     0    0.660   0.660    30.465    0.000    0.000
LGA    F     9_A      F     9_A    27.912     0    0.651   1.137    32.265    0.000    0.000
LGA    G    10_A      G    10_A    28.198     0    0.027   0.027    28.198    0.000    0.000
LGA    G    11_A      G    11_A    27.050     0    0.123   0.123    27.203    0.000    0.000
LGA    S    12_A      S    12_A    24.416     0    0.565   0.833    25.444    0.000    0.000
LGA    S    13_A      S    13_A    20.944     0    0.634   0.539    21.630    0.000    0.000
LGA    K    14_A      K    14_A    17.458     0    0.635   0.988    18.659    0.000    0.000
LGA    E    15_A      E    15_A    18.461     0    0.611   0.980    23.086    0.000    0.000
LGA    K    16_A      K    16_A    19.246     0    0.066   0.709    25.292    0.000    0.000
LGA    P    17_A      P    17_A    17.714     0    0.073   0.117    19.981    0.000    0.000
LGA    N    18_A      N    18_A    21.169     0    0.310   0.822    23.877    0.000    0.000
LGA    Y    19_A      Y    19_A    20.348     0    0.029   0.916    22.115    0.000    0.000
LGA    D    20_A      D    20_A    24.949     0    0.028   1.070    30.204    0.000    0.000
LGA    Y    21_A      Y    21_A    22.078     0    0.014   1.106    24.042    0.000    0.000
LGA    S    22_A      S    22_A    28.442     0    0.039   0.103    31.416    0.000    0.000
LGA    A    23_A      A    23_A    25.974     0    0.034   0.041    26.628    0.000    0.000
LGA    D    24_A      D    24_A    19.920     0    0.042   1.000    21.920    0.000    0.000
LGA    K    25_A      K    25_A    25.073     0    0.049   0.885    31.271    0.000    0.000
LGA    K    26_A      K    26_A    29.312     0    0.020   1.198    37.468    0.000    0.000
LGA    L    27_A      L    27_A    23.711     0    0.041   1.336    25.320    0.000    0.000
LGA    I    28_A      I    28_A    23.399     0    0.080   0.125    26.465    0.000    0.000
LGA    E    29_A      E    29_A    30.682     0    0.068   0.193    35.716    0.000    0.000
LGA    I    30_A      I    30_A    30.331     0    0.176   1.354    30.834    0.000    0.000
LGA    N    31_A      N    31_A    25.466     0    0.567   0.868    26.785    0.000    0.000
LGA    T    32_A      T    32_A    29.750     0    0.023   0.077    33.332    0.000    0.000
LGA    R    33_A      R    33_A    26.746     0    0.055   1.341    27.468    0.000    0.000
LGA    P    34_A      P    34_A    23.909     0    0.013   0.051    27.141    0.000    0.000
LGA    I    35_A      I    35_A    17.875     0    0.075   0.135    20.275    0.000    0.000
LGA    S    36_A      S    36_A    15.715     0    0.167   0.526    16.015    0.000    0.000
LGA    T    37_A      T    37_A    15.313     0    0.119   0.116    19.817    0.000    0.000
LGA    D    38_A      D    38_A    10.986     0    0.216   0.258    15.103    2.381    1.190
LGA    N    39_A      N    39_A     4.670     0    0.088   1.104     7.107   23.452   41.310
LGA    A    40_A      A    40_A     8.200     0    0.228   0.226    10.820    3.690    2.952
LGA    K    41_A      K    41_A    13.159     0    0.170   0.159    20.318    0.000    0.000
LGA    Y    42_A      Y    42_A    11.424     0    0.578   1.339    13.560    0.000    0.040
LGA    W    43_A      W    43_A    11.029     0    0.178   1.003    15.759    0.000    0.000
LGA    C    44_A      C    44_A     8.739     0    0.293   0.732    10.452    1.190    1.825
LGA    F    45_A      F    45_A    14.483     0    0.508   1.165    16.737    0.000    0.000
LGA    D    46_A      D    46_A    13.608     0    0.542   1.239    16.445    0.000    0.000
LGA    K    47_A      K    47_A    10.446     0    0.733   1.002    15.862    4.048    1.799
LGA    G    48_A      G    48_A     9.196     0    0.384   0.384     9.804    8.095    8.095
LGA    N    49_A      N    49_A     4.775     0    0.610   1.083     7.674   22.976   16.667
LGA    D    50_A      D    50_A     4.840     0    0.029   0.361     6.744   32.857   26.310
LGA    L    51_A      L    51_A     3.387     0    0.488   1.400     8.691   43.690   31.667
LGA    G    52_A      G    52_A     6.127     0    0.043   0.043     6.127   26.548   26.548
LGA    C    53_A      C    53_A     3.913     0    0.494   0.515     5.393   46.786   42.778
LGA    L    54_A      L    54_A     1.950     0    0.608   1.334     7.908   65.119   41.429
LGA    S    55_A      S    55_A     5.603     0    0.596   0.957     9.370   33.333   23.254
LGA    L    56_A      L    56_A     4.328     0    0.013   0.086     5.070   38.929   36.726
LGA    E    57_A      E    57_A     4.433     0    0.018   0.371     6.215   40.476   31.005
LGA    K    58_A      K    58_A     3.732     0    0.038   1.375    10.793   50.595   30.741
LGA    L    59_A      L    59_A     2.507     0    0.007   0.047     4.107   65.357   55.298
LGA    E    60_A      E    60_A     2.101     0    0.043   0.145     5.059   68.810   53.651
LGA    A    61_A      A    61_A     1.681     0    0.034   0.036     2.075   81.667   78.286
LGA    L    62_A      L    62_A     0.867     0    0.046   0.184     3.218   88.214   75.655
LGA    E    63_A      E    63_A     1.310     0    0.016   0.203     2.555   75.476   77.831
LGA    S    64_A      S    64_A     2.450     0    0.082   0.095     3.070   61.190   63.730
LGA    K    65_A      K    65_A     2.617     0    0.092   0.674     3.547   55.595   54.868
LGA    D    66_A      D    66_A     2.031     0    0.140   0.235     2.114   70.952   70.893
LGA    L    67_A      L    67_A     2.184     0    0.015   1.392     5.634   66.786   53.988
LGA    K    68_A      K    68_A     2.687     0    0.080   0.701     5.721   62.857   47.619
LGA    K    69_A      K    69_A     1.980     0    0.062   0.627     5.838   75.000   59.630
LGA    V    70_A      V    70_A     0.703     0    0.018   0.051     1.990   88.214   84.082
LGA    V    71_A      V    71_A     1.331     0    0.022   0.070     2.825   88.214   75.986
LGA    K    72_A      K    72_A     1.858     0    0.024   1.134     9.553   75.000   44.709
LGA    F    73_A      F    73_A     2.406     0    0.048   1.221    10.312   66.786   34.675
LGA    Y    74_A      Y    74_A     1.929     0    0.077   0.164     3.725   70.833   61.984
LGA    E    75_A      E    75_A     0.683     0    0.121   0.722     4.042   88.214   68.571
LGA    K    76_A      K    76_A     0.865     0    0.068   0.781     2.657   85.952   82.751
LGA    T    77_A      T    77_A     1.433     0    0.135   1.077     3.051   83.690   75.782
LGA    I    78_A      I    78_A     0.986     0    0.059   0.124     1.150   88.214   88.214
LGA    P    79_A      P    79_A     1.087     0    0.020   0.098     1.109   81.429   81.429
LGA    E    80_A      E    80_A     1.323     0    0.018   1.240     6.851   81.429   57.143
LGA    Y    81_A      Y    81_A     1.083     0    0.027   0.893     6.980   85.952   57.143
LGA    C    82_A      C    82_A     0.766     0    0.104   0.757     2.816   90.476   84.921
LGA    Y    83_A      Y    83_A     1.160     0    0.293   0.732     3.560   77.143   68.016
LGA    D    84_A      D    84_A     4.090     0    0.610   0.985     9.331   36.190   21.905
LGA    K    85_A      K    85_A     6.844     0    0.153   0.218    17.879   16.667    7.566
LGA    K    86_A      K    86_A     4.862     0    0.261   0.886     9.808   31.548   26.720
LGA    F    87_A      F    87_A     4.999     0    0.468   1.146     6.384   25.357   28.961
LGA    A    88_A      A    88_A     6.718     0    0.658   0.634     7.682   12.738   14.476
LGA    P    89_A      P    89_A    11.239     0    0.395   0.582    13.971    0.119    0.068
LGA    A    90_A      A    90_A     9.938     0    0.660   0.597    11.444    3.810    3.048
LGA    C    91_A      C    91_A     3.762     0    0.610   0.755     5.901   36.310   45.873
LGA    N    92_A      N    92_A     1.861     0    0.109   0.295     2.322   72.976   72.976
LGA    I    93_A      I    93_A     1.918     0    0.601   1.844     4.855   60.476   55.655
LGA    P    94_A      P    94_A     1.990     0    0.568   0.725     2.831   79.405   76.871
LGA    A    95_A      A    95_A     2.925     0    0.605   0.595     4.248   55.595   51.905
LGA    I    96_A      I    96_A     3.385     0    0.027   0.117     9.964   61.071   35.833
LGA    D    97_A      D    97_A     4.284     0    0.008   1.089     9.761   36.190   21.012
LGA    L    98_A      L    98_A     7.258     0    0.161   0.151    10.618   10.952    6.250
LGA    I    99_A      I    99_A     8.302     0    0.127   1.126    10.034    5.357    5.179
LGA    Q   100_A      Q   100_A     8.401     0    0.027   1.127     9.695    4.286    7.778
LGA    Q   101_A      Q   101_A     7.302     0    0.129   0.966     9.488    6.071   10.265
LGA    K   102_A      K   102_A    11.706     0    0.088   1.084    20.369    0.119    0.053
LGA    L   103_A      L   103_A    13.932     0    0.020   1.076    16.340    0.000    0.000
LGA    S   104_A      S   104_A    12.371     0    0.047   0.079    13.922    0.000    0.000
LGA    Y   105_A      Y   105_A    13.677     0    0.034   1.398    16.767    0.000    0.000
LGA    Y   106_A      Y   106_A    19.233     0    0.100   1.546    21.530    0.000    0.000
LGA    V   107_A      V   107_A    19.699     0    0.305   1.207    20.310    0.000    0.000
LGA    R   108_A      R   108_A    17.227     0    0.093   0.740    18.147    0.000    0.000
LGA    N   109_A      N   109_A    19.636     0    0.300   1.043    20.627    0.000    0.000
LGA    D   110_A      D   110_A    21.500     0    0.054   0.228    24.233    0.000    0.000
LGA    I   111_A      I   111_A    18.510     0    0.017   0.678    19.456    0.000    0.000
LGA    D   112_A      D   112_A    18.664     0    0.487   0.811    19.227    0.000    0.000
LGA    N   113_A      N   113_A    17.724     0    0.277   0.312    19.814    0.000    0.000
LGA    K   114_A      K   114_A    16.362     0    0.603   1.099    21.085    0.000    0.000
LGA    T   115_A      T   115_A    21.104     0    0.583   1.409    25.340    0.000    0.000
LGA    I   116_A      I   116_A    20.845     0    0.099   1.220    23.327    0.000    0.000
LGA    K   117_A      K   117_A    20.744     0    0.037   1.047    21.395    0.000    0.000
LGA    T   118_A      T   118_A    21.140     0    0.173   1.106    23.115    0.000    0.000
LGA    F   119_A      F   119_A    20.065     0    0.025   1.207    22.573    0.000    0.000
LGA    Y   120_A      Y   120_A    18.517     0    0.032   0.689    19.336    0.000    0.000
LGA    S   121_A      S   121_A    18.646     0    0.029   0.690    19.498    0.000    0.000
LGA    D   122_A      D   122_A    18.139     0    0.015   0.115    20.481    0.000    0.000
LGA    Y   123_A      Y   123_A    16.697     0    0.030   0.479    17.404    0.000    0.000
LGA    A   124_A      A   124_A    15.483     0    0.010   0.014    16.137    0.000    0.000
LGA    K   125_A      K   125_A    15.127     0    0.016   0.771    20.429    0.000    0.000
LGA    A   126_A      A   126_A    14.517     0    0.013   0.019    15.083    0.000    0.000
LGA    L   127_A      L   127_A    12.408     0    0.019   1.371    14.474    0.000    0.000
LGA    S   128_A      S   128_A    11.925     0    0.114   0.552    12.517    0.000    0.000
LGA    E   129_A      E   129_A    11.965     0    0.096   0.256    15.109    0.000    0.000
LGA    S   130_A      S   130_A    10.928     0    0.447   0.716    11.414    0.000    0.000
LGA    K   131_A      K   131_A     7.937     0    0.357   0.902     8.946    7.500    6.614
LGA    A   132_A      A   132_A     5.695     0    0.079   0.079     6.355   28.214   26.857
LGA    D   133_A      D   133_A     3.156     0    0.579   1.257     5.287   40.714   41.369
LGA    V   134_A      V   134_A     3.637     0    0.124   0.119     5.550   46.667   37.959
LGA    K   135_A      K   135_A     4.367     0    0.063   1.066    12.291   40.238   23.069
LGA    M   136_A      M   136_A     3.844     0    0.136   1.158     6.559   42.024   33.274
LGA    L   137_A      L   137_A     2.387     0    0.081   0.090     3.549   64.762   58.333
LGA    E   138_A      E   138_A     3.041     0    0.136   0.236     4.708   55.357   45.979
LGA    Y   139_A      Y   139_A     2.940     0    0.138   1.453     6.800   53.571   46.865
LGA    G   140_A      G   140_A     3.480     0    0.221   0.221     4.914   40.714   40.714
LGA    C   141_A      C   141_A     6.936     0    0.216   0.742    11.023   13.571    9.841
LGA    N   142_A      N   142_A     8.474     0    0.046   0.242    10.699    4.048    4.226
LGA    E   143_A      E   143_A     9.196     0    0.018   0.188    12.881    1.905    1.005
LGA    L   144_A      L   144_A     8.478     0    0.194   0.333     9.035    3.452    5.536
LGA    K   145_A      K   145_A     9.618     0    0.384   1.040    14.432    3.452    1.534
LGA    S   146_A      S   146_A     5.552     0    0.576   0.875     8.942   13.690   19.683
LGA    A   147_A      A   147_A     8.819     0    0.017   0.029    12.025    4.167    3.619
LGA    Y   148_A      Y   148_A     9.485     0    0.087   1.417    13.021    1.548    5.556
LGA    I   149_A      I   149_A    12.718     0    0.034   0.150    16.738    0.000    0.000
LGA    C   150_A      C   150_A    15.757     0    0.020   0.807    19.531    0.000    0.000
LGA    R   151_A      R   151_A    18.350     0    0.090   0.141    21.647    0.000    0.000
LGA    D   152_A      D   152_A    20.246     0    0.033   1.059    23.905    0.000    0.000
LGA    L   153_A      L   153_A    23.137     0    0.066   1.342    26.460    0.000    0.000
LGA    R   154_A      R   154_A    25.189     0    0.019   1.000    28.794    0.000    0.000
LGA    D   155_A      D   155_A    27.557     0    0.016   0.099    30.972    0.000    0.000
LGA    M   156_A      M   156_A    29.856     0    0.022   0.164    33.637    0.000    0.000
LGA    Y   157_A      Y   157_A    33.063     0    0.048   1.368    36.327    0.000    0.000
LGA    K   158_A      K   158_A    34.979     0    0.024   0.815    38.483    0.000    0.000
LGA    Y   159_A      Y   159_A    36.962     0    0.097   1.383    40.287    0.000    0.000
LGA    L   160_A      L   160_A    39.796     0    0.060   0.068    42.964    0.000    0.000
LGA    G   161_A      G   161_A    42.580     0    0.074   0.074    43.692    0.000    0.000
LGA    D   162_A      D   162_A    40.043     0    0.120   0.137    40.392    0.000    0.000
LGA    K   163_A      K   163_A    39.219     0    0.032   0.623    47.012    0.000    0.000
LGA    E   164_A      E   164_A    37.516     0    0.018   0.685    42.955    0.000    0.000
LGA    K   165_A      K   165_A    32.904     0    0.033   0.853    35.034    0.000    0.000
LGA    T   166_A      T   166_A    30.694     0    0.017   0.040    33.321    0.000    0.000
LGA    K   167_A      K   167_A    30.249     0    0.011   0.619    32.649    0.000    0.000
LGA    E   168_A      E   168_A    26.780     0    0.011   1.020    29.032    0.000    0.000
LGA    Y   169_A      Y   169_A    22.481     0    0.025   1.361    25.398    0.000    0.000
LGA    N   170_A      N   170_A    22.888     0    0.043   1.183    26.528    0.000    0.000
LGA    D   171_A      D   171_A    20.861     0    0.030   1.076    26.108    0.000    0.000
LGA    K   172_A      K   172_A    16.147     0    0.020   0.907    21.727    0.000    0.000
LGA    M   173_A      M   173_A    13.595     0    0.097   0.875    15.004    0.000    0.000
LGA    K   174_A      K   174_A    14.738     0    0.129   0.253    25.681    0.000    0.000
LGA    N   175_A      N   175_A    10.827     0    0.163   1.127    15.109    1.548    0.774
LGA    G   176_A      G   176_A     6.937     0    0.569   0.569     8.309   20.357   20.357
LGA    D   177_A      D   177_A     7.491     0    0.078   1.092    12.867   10.833    5.417
LGA    E   178_A      E   178_A     8.479     0    0.014   1.421    14.354    2.976    1.376
LGA    K   179_A      K   179_A    13.840     0    0.139   0.511    24.134    0.000    0.000
LGA    W   180_A      W   180_A    10.827     0    0.208   0.508    20.246    1.905    0.544
LGA    N   181_A      N   181_A     6.181     0    0.515   0.897     7.819    9.643   14.107
LGA    S   182_A      S   182_A    11.571     0    0.622   0.806    16.225    0.119    0.079
LGA    V   183_A      V   183_A    10.979     0    0.134   1.095    13.739    0.000    0.204
LGA    L   184_A      L   184_A    10.708     0    0.117   0.151    12.256    0.238    0.119
LGA    Y   185_A      Y   185_A     8.664     0    0.324   1.235    16.588    6.190    2.183
LGA    D   186_A      D   186_A     8.035     0    0.614   0.842     9.239    4.881    3.929
LGA    Y   187_A      Y   187_A     9.587     0    0.124   1.287    17.703    3.810    1.270
LGA    K   188_A      K   188_A     6.028     0    0.155   1.144    11.971   22.024   13.439
LGA    H   189_A      H   189_A     6.752     0    0.566   0.666    13.706   13.690    5.952
LGA    M   190_A      M   190_A     9.059     0    0.085   0.974    12.975    3.095    1.548
LGA    R   191_A      R   191_A     6.828     0    0.217   0.823     8.318    9.524   17.143
LGA    Y   192_A      Y   192_A     7.009     0    0.622   1.160     9.526    6.310   31.468
LGA    I   193_A      I   193_A    14.184     0    0.048   0.056    19.031    0.000    0.000
LGA    H   194_A      H   194_A    14.684     0    0.180   1.201    21.718    0.000    0.000
LGA    G   195_A      G   195_A     8.593     0    0.397   0.397    10.383    0.952    0.952
LGA    G   196_A      G   196_A    11.542     0    0.203   0.203    15.230    0.000    0.000
LGA    Y   197_A      Y   197_A    18.068     0    0.028   1.207    21.775    0.000    0.000
LGA    S   198_A      S   198_A    17.701     0    0.291   0.402    19.408    0.000    0.000
LGA    S   199_A      S   199_A    23.463     0    0.103   0.679    26.041    0.000    0.000
LGA    W   200_A      W   200_A    24.682     0    0.130   1.369    33.404    0.000    0.000
LGA    W   201_A      W   201_A    22.466     0    0.022   1.572    25.051    0.000    0.000
LGA    L   202_A      L   202_A    25.739     0    0.052   0.097    29.541    0.000    0.000
LGA    L   203_A      L   203_A    30.847     0    0.073   0.128    33.844    0.000    0.000
LGA    E   204_A      E   204_A    29.939     0    0.054   0.922    31.476    0.000    0.000
LGA    K   205_A      K   205_A    30.340     0    0.026   0.509    33.782    0.000    0.000
LGA    I   206_A      I   206_A    36.653     0    0.042   0.192    40.090    0.000    0.000
LGA    K   207_A      K   207_A    38.711     0    0.536   1.284    42.140    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    16.448         16.441                 17.025           16.940   14.717

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     44    2.51    21.135    17.998     1.685

LGA_LOCAL      RMSD:   2.511  Number of atoms:   44  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.595  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  16.448  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.386161 * X  +   0.143140 * Y  +   0.911257 * Z  +  -6.595012
  Y_new =   0.818049 * X  +   0.509623 * Y  +   0.266611 * Z  +  -0.715948
  Z_new =  -0.426235 * X  +   0.848408 * Y  +  -0.313892 * Z  +   7.118282 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.011837  0.440326  1.925157   [DEG:  115.2697   25.2288  110.3034 ]
ZXZ:  1.855427  1.890086 -0.465561   [DEG:  106.3081  108.2940  -26.6747 ]
 
# END of job
