
#######################################################
#                                                     #
#                        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  272 ( 2147),  selected  270 , name one
# Molecule2: number of CA atoms  270 ( 2127),  selected  270 , 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:    82       1_A - 82_A        4.99    27.36
  LONGEST_CONTINUOUS_SEGMENT:    82       2_A - 83_A        4.87    27.04
  LONGEST_CONTINUOUS_SEGMENT:    82       3_A - 84_A        4.86    26.77
  LONGEST_CONTINUOUS_SEGMENT:    82       4_A - 85_A        4.97    26.46
  LONGEST_CONTINUOUS_SEGMENT:    82       6_A - 87_A        4.99    26.16
  LCS_AVERAGE:     18.82

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      24_A - 51_A        1.92    29.02
  LCS_AVERAGE:      6.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      55_A - 79_A        0.80    33.22
  LCS_AVERAGE:      4.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  270
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      5    5   82      4    5    5    5    5    7   11   14   15   17   18   21   23   35   39   53   62   74   88   99 
LCS_GDT     P     2_A     P     2_A      5    5   82      4    5    5    5    5    9   11   15   16   20   30   35   38   41   61   71   75   76   79   96 
LCS_GDT     A     3_A     A     3_A      5    5   82      4    5    5    5    6   11   16   18   20   33   37   43   56   64   70   74   76   77   91  104 
LCS_GDT     N     4_A     N     4_A      5    5   82      4    5    5    6    7   11   16   18   26   34   37   43   56   64   71   74   76   80   99  109 
LCS_GDT     P     5_A     P     5_A      5    5   82      4    5    5    5    5    7   12   17   19   23   28   33   43   52   61   68   72   80   92  101 
LCS_GDT     Q     6_A     Q     6_A      4   15   82      4    4    4    9   11   18   24   30   40   51   61   66   70   75   76   88   95  101  107  113 
LCS_GDT     N     7_A     N     7_A     14   15   82      7   14   15   23   28   35   46   54   60   66   70   74   74   75   75   85   94  100  107  113 
LCS_GDT     F     8_A     F     8_A     14   15   82      5   14   14   16   24   31   39   44   58   66   70   74   74   75   75   84   91  100  107  113 
LCS_GDT     N     9_A     N     9_A     14   15   82     11   14   15   23   29   33   44   54   60   66   70   74   74   75   75   83   91  100  107  113 
LCS_GDT     I    10_A     I    10_A     14   15   82     11   14   18   23   29   40   48   54   60   66   70   74   74   75   75   83   91  100  107  113 
LCS_GDT     Y    11_A     Y    11_A     14   15   82     11   14   18   23   29   37   48   54   60   66   70   74   74   75   75   83   91  100  107  113 
LCS_GDT     K    12_A     K    12_A     14   15   82     11   14   18   23   29   33   41   54   60   66   70   74   74   75   75   83   91   99  107  113 
LCS_GDT     R    13_A     R    13_A     14   15   82     11   14   18   23   29   37   48   54   60   66   70   74   74   75   75   77   88   94  101  110 
LCS_GDT     I    14_A     I    14_A     14   15   82     11   14   18   23   29   38   48   54   60   66   70   74   74   75   75   83   91   98  107  113 
LCS_GDT     F    15_A     F    15_A     14   15   82     11   14   18   23   29   33   43   54   60   66   70   74   74   75   75   80   91   98  107  113 
LCS_GDT     T    16_A     T    16_A     14   15   82     11   14   18   23   29   31   41   53   58   66   70   74   74   75   75   77   82   85   92   99 
LCS_GDT     D    17_A     D    17_A     14   15   82     11   14   18   23   29   33   43   54   60   66   70   74   74   75   75   77   82   85   89   98 
LCS_GDT     M    18_A     M    18_A     14   15   82     11   14   18   23   29   31   39   53   60   66   70   74   74   75   75   77   82   85   96  107 
LCS_GDT     V    19_A     V    19_A     14   15   82     11   14   18   23   29   31   39   45   58   66   70   74   74   75   75   77   82   85   91   99 
LCS_GDT     S    20_A     S    20_A     14   15   82     11   14   18   23   29   31   35   41   57   64   70   74   74   75   75   76   78   80   85   90 
LCS_GDT     S    21_A     S    21_A      4   15   82      3    4   10   21   28   38   48   54   60   66   70   74   74   75   75   83   91   98  107  113 
LCS_GDT     P    22_A     P    22_A      4    6   82      7   12   15   21   29   37   46   53   58   66   70   74   74   75   75   83   91  100  107  113 
LCS_GDT     G    23_A     G    23_A      4   26   82      3    4    5    8   28   38   48   54   60   66   70   74   74   75   75   83   91  100  107  113 
LCS_GDT     T    24_A     T    24_A      4   28   82      3    5   10   23   31   42   48   54   60   66   70   74   74   75   75   83   91   99  107  113 
LCS_GDT     N    25_A     N    25_A      4   28   82      3    4    4    5    7   28   34   44   56   63   70   74   74   75   75   76   80   85   89   96 
LCS_GDT     C    26_A     C    26_A      5   28   82      3    7   18   25   32   42   48   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     A    27_A     A    27_A      5   28   82      4    5   11   19   25   32   43   50   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     E    28_A     E    28_A     17   28   82      4    5   13   19   29   40   47   52   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     A    29_A     A    29_A     17   28   82      4   13   18   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     Y    30_A     Y    30_A     18   28   82      4   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     H    31_A     H    31_A     18   28   82      4   10   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     S    32_A     S    32_A     18   28   82      6   13   20   26   34   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     W    33_A     W    33_A     18   28   82      6   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     A    34_A     A    34_A     18   28   82      6   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     D    35_A     D    35_A     18   28   82      6   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     L    36_A     L    36_A     18   28   82      5   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     R    37_A     R    37_A     18   28   82      6   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   94  100  107  113 
LCS_GDT     D    38_A     D    38_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     V    39_A     V    39_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     L    40_A     L    40_A     18   28   82     10   13   19   26   36   43   49   54   60   66   70   74   74   75   75   87   94  100  107  113 
LCS_GDT     F    41_A     F    41_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     N    42_A     N    42_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     L    43_A     L    43_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     C    44_A     C    44_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     E    45_A     E    45_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     N    46_A     N    46_A     18   28   82     10   13   19   26   35   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     L    47_A     L    47_A     18   28   82     10   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     V    48_A     V    48_A     18   28   82      6   13   20   26   36   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     K    49_A     K    49_A     16   28   82      4   12   15   21   32   40   48   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     S    50_A     S    50_A     16   28   82      4    8   19   24   33   42   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     S    51_A     S    51_A      5   28   82      4    4   12   23   35   43   49   54   60   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     E    52_A     E    52_A      5   25   82      4    4    6    7   17   39   49   52   58   62   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     A    53_A     A    53_A      5   27   82      3    3    6   13   28   41   49   53   59   66   70   74   74   75   75   85   91  100  107  113 
LCS_GDT     N    54_A     N    54_A      3   27   82      3    3    4    6    7   16   34   52   58   66   70   74   74   75   80   85   91  100  107  113 
LCS_GDT     S    55_A     S    55_A     25   27   82      8   18   25   25   35   43   49   53   60   66   70   74   74   75   80   85   91  100  107  113 
LCS_GDT     P    56_A     P    56_A     25   27   82      8   19   25   25   36   43   49   53   60   66   70   74   74   75   80   87   94  100  107  113 
LCS_GDT     A    57_A     A    57_A     25   27   82     13   21   25   25   29   41   49   53   59   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     H    58_A     H    58_A     25   27   82     13   21   25   25   25   38   49   53   60   66   70   74   74   75   80   85   91  100  107  113 
LCS_GDT     E    59_A     E    59_A     25   27   82     10   20   25   25   36   43   49   54   60   66   70   74   74   75   75   84   91   99  107  113 
LCS_GDT     E    60_A     E    60_A     25   27   82      8   19   25   26   36   43   49   54   60   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     F    61_A     F    61_A     25   27   82      9   21   25   25   36   43   49   54   60   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     K    62_A     K    62_A     25   27   82     13   21   25   25   36   43   49   54   60   66   70   74   74   75   80   84   91   99  107  113 
LCS_GDT     T    63_A     T    63_A     25   27   82     13   21   25   26   36   43   49   54   60   66   70   74   74   78   86   89   98  101  107  113 
LCS_GDT     M    64_A     M    64_A     25   27   82     13   21   25   25   36   43   49   54   60   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     L    65_A     L    65_A     25   27   82     13   21   25   25   36   43   49   54   60   66   70   74   74   75   82   89   98  101  107  113 
LCS_GDT     L    66_A     L    66_A     25   27   82     13   21   25   25   36   43   49   54   60   66   70   74   74   78   86   89   98  101  105  109 
LCS_GDT     I    67_A     I    67_A     25   27   82     13   21   25   26   36   43   49   54   60   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     A    68_A     A    68_A     25   27   82     13   21   25   25   36   43   49   54   60   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     H    69_A     H    69_A     25   27   82     13   21   25   25   36   43   49   54   60   66   70   74   74   75   83   90   98  101  106  111 
LCS_GDT     Y    70_A     Y    70_A     25   27   82     13   21   25   26   36   43   49   54   60   66   70   74   74   78   86   90   98  101  105  110 
LCS_GDT     Y    71_A     Y    71_A     25   27   82     13   21   25   26   36   43   49   54   60   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     A    72_A     A    72_A     25   27   82     13   21   25   25   36   43   49   54   60   66   70   74   74   75   83   90   98  101  107  113 
LCS_GDT     T    73_A     T    73_A     25   27   82     10   21   25   25   26   43   49   52   59   66   70   74   74   78   86   90   98  101  105  110 
LCS_GDT     R    74_A     R    74_A     25   27   82     10   21   25   26   36   43   49   54   60   66   70   74   74   78   86   90   98  101  107  113 
LCS_GDT     S    75_A     S    75_A     25   27   82     10   21   25   25   35   43   49   54   60   66   70   74   74   75   83   90   98  101  107  113 
LCS_GDT     A    76_A     A    76_A     25   27   82      9   21   25   25   27   41   49   52   59   66   70   74   74   75   82   90   98  101  105  110 
LCS_GDT     A    77_A     A    77_A     25   27   82     12   21   25   25   30   43   49   52   59   66   70   74   74   78   86   90   98  101  105  110 
LCS_GDT     Q    78_A     Q    78_A     25   27   82      9   21   25   26   36   43   49   54   60   66   70   74   74   75   83   90   98  101  107  113 
LCS_GDT     S    79_A     S    79_A     25   27   82      4   21   25   25   36   43   49   54   60   66   70   74   74   75   80   85   91  101  107  113 
LCS_GDT     V    80_A     V    80_A      6   27   82      3    5   11   19   27   29   35   50   55   60   68   74   74   75   80   85   91  100  107  113 
LCS_GDT     K    81_A     K    81_A      6   27   82      4    5    9   18   27   29   32   36   38   47   54   61   70   72   80   85   91  100  107  113 
LCS_GDT     Q    82_A     Q    82_A     17   27   82      4    5   10   20   27   29   32   36   38   47   54   60   67   72   80   85   91  100  107  113 
LCS_GDT     L    83_A     L    83_A     18   27   82      5   14   17   22   27   29   32   36   38   47   54   60   67   74   83   89   97  101  107  113 
LCS_GDT     E    84_A     E    84_A     18   27   82      7   14   17   22   27   29   32   36   38   47   54   60   67   74   83   90   98  101  107  113 
LCS_GDT     T    85_A     T    85_A     18   27   82      8   14   17   22   27   29   32   36   38   47   54   60   67   74   83   90   98  101  107  113 
LCS_GDT     V    86_A     V    86_A     18   27   82      8   14   17   22   27   29   32   36   38   47   54   60   67   74   83   89   98  101  107  113 
LCS_GDT     A    87_A     A    87_A     18   27   82      8   14   17   22   27   29   32   36   38   47   54   60   67   74   83   90   98  101  107  113 
LCS_GDT     A    88_A     A    88_A     18   27   57      8   14   17   22   27   29   32   36   38   47   54   60   67   76   85   90   98  101  107  113 
LCS_GDT     R    89_A     R    89_A     18   27   57      8   14   17   22   27   29   32   36   38   47   54   60   67   74   83   90   98  101  107  113 
LCS_GDT     L    90_A     L    90_A     18   27   57      7   14   17   22   27   29   32   36   38   47   54   60   67   75   83   90   98  101  107  113 
LCS_GDT     S    91_A     S    91_A     18   27   57      8   14   17   22   27   29   32   36   38   47   54   62   71   78   86   90   98  101  107  113 
LCS_GDT     V    92_A     V    92_A     18   27   57      8   14   17   22   27   29   32   36   38   47   54   60   67   76   86   90   98  101  107  113 
LCS_GDT     S    93_A     S    93_A     18   27   57      8   14   17   22   27   29   32   36   38   47   54   60   67   74   83   90   98  101  107  113 
LCS_GDT     L    94_A     L    94_A     18   27   57      7   14   17   22   27   29   32   36   38   47   54   62   71   78   86   90   98  101  107  113 
LCS_GDT     L    95_A     L    95_A     18   27   57      4   14   17   22   27   29   32   36   38   47   54   65   71   78   86   90   98  101  107  113 
LCS_GDT     R    96_A     R    96_A     18   27   57      4   12   17   22   27   29   32   36   38   47   54   60   67   75   83   90   98  101  107  113 
LCS_GDT     H    97_A     H    97_A     18   27   57      4    7   17   22   27   29   32   36   38   45   54   62   71   78   86   90   98  101  107  113 
LCS_GDT     T    98_A     T    98_A     18   27   57      3   14   17   22   27   29   32   36   38   48   58   68   72   78   86   90   98  101  105  110 
LCS_GDT     Q    99_A     Q    99_A     18   27   57      3   12   17   22   27   29   32   36   38   47   57   65   72   78   86   90   98  101  106  113 
LCS_GDT     L   100_A     L   100_A     18   27   57      3    4    4   20   25   29   32   36   38   46   57   67   72   78   86   90   98  101  105  111 
LCS_GDT     L   101_A     L   101_A      4   27   57      3   12   14   19   23   29   32   36   38   53   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     P   102_A     P   102_A      4   27   57      0    3    5    6   16   26   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     V   103_A     V   103_A     14   27   57      3   10   16   20   27   29   32   37   46   60   62   68   72   78   86   90   98  101  106  113 
LCS_GDT     D   104_A     D   104_A     14   27   57      4    7   16   22   27   29   32   40   54   60   62   68   72   78   86   90   98  101  105  110 
LCS_GDT     K   105_A     K   105_A     14   27   57      4   12   15   22   27   29   33   40   54   60   62   68   72   78   86   90   98  101  106  111 
LCS_GDT     A   106_A     A   106_A     14   27   57     10   12   14   19   22   29   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     F   107_A     F   107_A     14   27   57     10   12   14   19   24   26   32   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     Y   108_A     Y   108_A     14   27   57     10   12   14   19   24   26   32   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     E   109_A     E   109_A     14   27   57     10   12   14   19   22   26   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     A   110_A     A   110_A     14   17   57     10   12   14   19   22   29   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     G   111_A     G   111_A     14   17   57     10   12   14   19   22   26   32   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     I   112_A     I   112_A     14   17   57      8   12   14   19   22   26   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     A   113_A     A   113_A     14   17   57     10   12   14   19   23   29   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     A   114_A     A   114_A     14   17   57     10   12   14   19   22   26   32   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     K   115_A     K   115_A     14   17   57     10   12   14   19   22   26   32   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     A   116_A     A   116_A     14   26   57     10   12   14   19   23   29   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     V   117_A     V   117_A     14   26   56      3    6   11   19   20   29   33   41   51   60   62   68   72   78   86   89   96  101  107  113 
LCS_GDT     G   118_A     G   118_A      3   26   56      3    3    8   17   21   29   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     W   119_A     W   119_A     22   26   54      8   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     D   120_A     D   120_A     22   26   54     10   19   22   22   23   29   33   39   51   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     N   121_A     N   121_A     22   26   50      9   19   22   22   23   29   33   39   51   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     M   122_A     M   122_A     22   26   50     10   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  113 
LCS_GDT     A   123_A     A   123_A     22   26   50     11   19   22   22   23   29   33   40   51   60   62   68   72   78   86   90   98  101  107  113 
LCS_GDT     F   124_A     F   124_A     22   26   50     11   19   22   22   23   29   33   39   51   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     I   125_A     I   125_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     F   126_A     F   126_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  113 
LCS_GDT     L   127_A     L   127_A     22   26   50     11   19   22   22   23   29   33   40   51   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     N   128_A     N   128_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     R   129_A     R   129_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     F   130_A     F   130_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     L   131_A     L   131_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     D   132_A     D   132_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     L   133_A     L   133_A     22   26   50     11   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     T   134_A     T   134_A     22   26   50     10   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     D   135_A     D   135_A     22   26   50     10   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     A   136_A     A   136_A     22   26   50     10   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     I   137_A     I   137_A     22   26   50      3   19   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     E   138_A     E   138_A     22   26   50      5   18   22   22   23   29   33   39   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     E   139_A     E   139_A     22   26   50      5   18   22   22   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     G   140_A     G   140_A     22   26   50      5   18   22   22   23   28   33   39   51   60   62   67   71   78   86   90   98  101  105  108 
LCS_GDT     T   141_A     T   141_A      4   26   50      3    4    6    9   23   29   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     L   142_A     L   142_A      4   24   50      3    4    4    5    8   12   15   33   41   49   62   65   71   77   86   90   98  101  105  108 
LCS_GDT     D   143_A     D   143_A      4    9   50      3    4    4    5    9   12   16   31   41   48   58   62   66   72   81   88   96  100  105  108 
LCS_GDT     G   144_A     G   144_A      6    7   48      5    5    6    6    7   10   11   11   14   16   20   22   23   34   35   38   48   51   59   71 
LCS_GDT     L   145_A     L   145_A      6    7   46      5    5    6    6    9    9   10   13   14   16   17   19   21   23   29   31   32   35   43   48 
LCS_GDT     D   146_A     D   146_A      6    7   19      5    5    6    6    9   10   11   13   14   16   17   19   21   22   25   31   31   35   37   41 
LCS_GDT     H   147_A     H   147_A      6    7   19      5    5    6    6    6   10   11   13   14   16   17   19   21   22   24   27   31   34   36   38 
LCS_GDT     S   148_A     S   148_A      6    7   19      5    5    6    6    9   10   11   13   14   16   17   19   21   22   25   27   31   34   36   38 
LCS_GDT     D   149_A     D   149_A      6    7   19      3    4    6    6    7   10   11   13   14   16   17   19   21   22   25   27   29   34   36   38 
LCS_GDT     F   150_A     F   150_A      4    7   19      3    4    5    5    7    8   11   11   14   16   17   19   21   22   25   27   31   34   36   38 
LCS_GDT     Q   151_A     Q   151_A      4    6   19      3    4    5    5    9    9   10   13   14   16   17   19   21   22   25   27   31   34   41   44 
LCS_GDT     D   152_A     D   152_A      5    6   19      3    5    5    6    9    9   10   13   14   16   17   19   27   31   34   40   43   50   65   72 
LCS_GDT     T   153_A     T   153_A      5    6   19      3    5    5    6    9    9   10   13   14   16   17   19   20   22   34   40   42   45   48   71 
LCS_GDT     D   154_A     D   154_A      5    6   19      3    5    5    6    9    9   10   13   14   16   17   21   29   35   45   50   55   64   70   75 
LCS_GDT     I   155_A     I   155_A      5    8   19      3    5    5    6    9    9   10   13   14   16   17   21   35   40   47   56   63   69   75   84 
LCS_GDT     P   156_A     P   156_A      5    8   19      3    5    5    6    9   12   14   25   35   39   49   60   67   72   80   84   89   95   99  110 
LCS_GDT     F   157_A     F   157_A      4    8   19      3    4   11   19   24   26   31   35   38   47   54   60   67   72   80   84   91   96  102  110 
LCS_GDT     E   158_A     E   158_A      4    8   19      3    3    4    5    7    7   10   31   36   40   48   60   67   72   80   84   91   96  101  110 
LCS_GDT     V   159_A     V   159_A      4    8   19      3    4    4    4    7    7   10   10   12   15   24   30   33   60   70   81   89   95   98  107 
LCS_GDT     P   160_A     P   160_A      4    8   26      3    4    5    5    7    7   10   10   12   15   16   17   22   26   35   47   77   83   98  103 
LCS_GDT     L   161_A     L   161_A      4    8   26      3    4    5    5    7    7    8    8   28   37   42   51   65   72   80   84   91   96  101  107 
LCS_GDT     P   162_A     P   162_A      4    8   29      3    4    4    7    7    7    8   23   27   34   46   52   65   72   80   87   93   99  105  108 
LCS_GDT     A   163_A     A   163_A      4    6   30      3    5    6    7    8   14   23   31   40   48   61   68   72   78   86   90   98  101  105  108 
LCS_GDT     K   164_A     K   164_A      4    6   30      3    5    6   19   21   29   33   39   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     Q   165_A     Q   165_A      4    6   30      3    5    6   19   23   27   33   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     H   166_A     H   166_A      4   19   30      3    5   10   12   18   24   29   34   42   47   55   67   72   78   86   90   98  101  105  108 
LCS_GDT     V   167_A     V   167_A     12   19   30      3    5   12   15   19   20   25   27   35   47   55   68   72   78   86   90   98  101  105  108 
LCS_GDT     P   168_A     P   168_A     13   19   30      5   10   16   18   21   23   26   33   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     E   169_A     E   169_A     13   19   30      5   10   16   19   22   26   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     A   170_A     A   170_A     13   19   30      5   10   16   18   21   23   26   33   44   55   59   65   71   78   86   90   98  101  105  108 
LCS_GDT     E   171_A     E   171_A     15   19   30      5   10   16   18   21   23   26   33   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     R   172_A     R   172_A     15   19   30      5   13   16   19   21   23   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     E   173_A     E   173_A     15   19   30      5   13   16   19   22   26   32   34   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     E   174_A     E   174_A     15   19   30      5   13   16   19   21   26   32   34   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     V   175_A     V   175_A     15   19   30      7   13   16   19   27   29   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     R   176_A     R   176_A     15   19   30      8   13   16   19   27   29   32   36   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     D   177_A     D   177_A     15   19   30      8   13   17   22   27   29   32   36   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     W   178_A     W   178_A     15   19   30      8   13   17   22   27   29   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     V   179_A     V   179_A     15   19   30      8   13   17   22   27   29   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     L   180_A     L   180_A     15   19   30      8   13   16   19   25   29   32   36   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     T   181_A     T   181_A     15   19   30      8   13   16   20   25   28   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     V   182_A     V   182_A     15   19   30      6   13   16   20   24   28   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     S   183_A     S   183_A     15   19   30      8   13   16   19   24   27   32   36   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     M   184_A     M   184_A     15   19   30      6   13   15   19   21   24   31   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     D   185_A     D   185_A     15   19   30      8   13   15   19   21   26   32   40   54   60   62   68   72   78   86   90   98  101  105  108 
LCS_GDT     L   188_A     L   188_A      3    4   30      3    3    3    4    6    7   11   14   18   19   30   51   62   69   72   79   84   93   98  107 
LCS_GDT     E   189_A     E   189_A      3    4   30      3    3    3    4    6    7   10   15   18   22   24   25   26   30   60   69   84   93   98  107 
LCS_GDT     Q   190_A     Q   190_A      3    4   30      3    3    3    4    4    5    9   12   17   22   24   25   26   37   46   54   57   75   96  104 
LCS_GDT     V   191_A     V   191_A      3    4   30      3    3    8   12   14   14   16   18   20   22   24   25   29   38   47   73   83   93   98  107 
LCS_GDT     L   192_A     L   192_A      3    6   30      3    3    3    5    6    7   11   14   18   22   24   25   25   29   30   31   33   37   47   58 
LCS_GDT     P   193_A     P   193_A      5    6   30      5    5    5    5    6    7    9   13   18   22   24   25   25   29   30   31   33   37   55   65 
LCS_GDT     R   194_A     R   194_A      5    6   30      5    5    9    9   14   14   14   18   18   20   24   25   26   31   48   73   78   86   95  105 
LCS_GDT     D   195_A     D   195_A      5    6   30      5    5    5    5    6    7    7   18   28   34   39   44   50   56   63   85   91  100  107  113 
LCS_GDT     E   196_A     E   196_A      5    6   17      5    6   13   19   20   22   24   25   29   37   43   47   55   62   74   85   91  100  107  113 
LCS_GDT     R   197_A     R   197_A      5    6   17      5    5   13   19   20   22   24   25   29   35   43   45   51   60   74   85   91  100  107  113 
LCS_GDT     G   198_A     G   198_A      3    5   17      3    3    3    4    5    6   11   29   36   39   43   44   50   56   68   85   91  100  107  113 
LCS_GDT     A   199_A     A   199_A      3    5   17      3    3    3    4    5    7    8   22   22   26   29   43   50   59   69   85   91  100  107  113 
LCS_GDT     Y   200_A     Y   200_A      4    5   17      4    4    4    5    6    9   13   17   19   34   39   44   50   57   69   85   91  100  107  113 
LCS_GDT     E   201_A     E   201_A      4    5   17      4    4    4    5    5    9   15   20   28   34   39   44   50   58   74   85   91  100  107  113 
LCS_GDT     A   202_A     A   202_A      4    5   17      4    4    4    5    6    9   15   20   28   34   39   44   51   62   74   85   91  100  107  113 
LCS_GDT     S   203_A     S   203_A      4    5   17      4    5    5    5    5    7   13   17   22   26   37   45   50   59   66   78   90  100  105  111 
LCS_GDT     L   204_A     L   204_A      4    5   17      3    5    5    5    5    7    8   10   12   15   18   22   30   32   37   58   66   77   92  101 
LCS_GDT     V   205_A     V   205_A      4    6   17      3    5    5    5   10   12   20   26   31   38   48   50   56   62   74   85   91  100  107  113 
LCS_GDT     A   206_A     A   206_A      5    6   17      3    5    5   11   17   20   24   32   40   44   48   55   59   67   75   85   91  100  107  113 
LCS_GDT     A   207_A     A   207_A      5    6   17      3    7    9   14   17   20   24   32   40   44   48   53   58   67   75   85   91  100  107  113 
LCS_GDT     S   208_A     S   208_A      5    6   17      3    7    9   14   17   20   24   32   40   44   48   53   58   67   75   85   91  100  107  113 
LCS_GDT     T   209_A     T   209_A      5    6   17      3    7    9   14   17   20   24   32   40   44   48   53   58   67   75   85   91  100  107  113 
LCS_GDT     G   210_A     G   210_A      5    6   17      3    4    8   13   17   20   24   32   40   44   48   53   57   67   75   85   91  100  107  113 
LCS_GDT     V   211_A     V   211_A      4    6   17      3    5    5   12   15   20   26   32   40   44   48   55   60   67   75   83   91   98  104  109 
LCS_GDT     R   212_A     R   212_A      4    5   15      3    4    4    5    6    6    7   10   14   16   19   22   25   31   44   50   60   78   90   99 
LCS_GDT     A   213_A     A   213_A      4    5   14      3    4    4    5    7    7    8   10   14   16   20   22   25   27   30   33   38   41   50   75 
LCS_GDT     L   214_A     L   214_A      3    5   14      3    3    3    5    7    8    9   12   14   19   20   26   27   36   41   48   52   58   63   68 
LCS_GDT     P   215_A     P   215_A      3    3   14      3    3    6    8    9   10   14   17   22   27   33   40   45   50   56   58   62   64   66   68 
LCS_GDT     C   216_A     C   216_A      4    5   14      4    4    4    5   11   14   18   23   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     L   217_A     L   217_A      4    5   14      4    6   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     I   218_A     I   218_A      4    5   14      4    4    4    5    9   10   13   13   16   20   27   28   31   44   56   57   62   64   66   68 
LCS_GDT     T   219_A     T   219_A      4    5   14      4    4    4    5    9   10   13   14   19   21   27   28   29   37   56   57   62   64   66   68 
LCS_GDT     G   220_A     G   220_A      4    5   16      3    3    4    6    8   11   13   18   22   24   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     Y   221_A     Y   221_A      4    6   16      3    3    4    6    9   11   13   16   19   22   27   28   29   52   56   57   62   64   66   68 
LCS_GDT     P   222_A     P   222_A      4    6   16      3    3    4    6    8   11   13   16   19   22   27   28   29   42   56   57   62   63   66   68 
LCS_GDT     I   223_A     I   223_A      4    6   16      3    3    4    5    9   10   13   14   19   22   27   28   29   33   46   47   51   63   65   68 
LCS_GDT     L   224_A     L   224_A      4    6   16      3    3    4    5    9   11   13   16   19   27   30   45   49   52   56   57   62   64   66   68 
LCS_GDT     R   225_A     R   225_A      4    6   16      3    3    4    6    9   11   13   16   19   22   27   28   29   33   36   42   46   57   60   64 
LCS_GDT     N   226_A     N   226_A      4    6   16      3    3    4    6    9   11   13   16   19   22   27   28   29   33   36   42   47   57   60   66 
LCS_GDT     K   227_A     K   227_A      4    4   16      3    3    4    5    8   11   12   19   24   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     I   228_A     I   228_A      4    8   16      3    4    5    7    8    8    9   11   15   16   20   22   23   31   35   39   51   63   66   68 
LCS_GDT     E   229_A     E   229_A      4    8   16      3    4    4    7    8    8    8   11   11   13   20   22   23   27   30   35   38   42   54   59 
LCS_GDT     F   230_A     F   230_A      4    8   27      3    4    5    6    8    8    8   11   12   16   20   24   26   30   33   35   38   42   43   54 
LCS_GDT     K   231_A     K   231_A      5    8   30      3    4    5    7    8    8   12   15   18   20   23   26   29   32   34   37   39   42   43   45 
LCS_GDT     R   232_A     R   232_A      5    8   32      3    4    5    7    8    8    8   11   11   11   22   25   28   31   34   37   39   42   43   45 
LCS_GDT     P   233_A     P   233_A      5    8   34      3    4    5    7    8    8    8   11   11   13   20   22   23   27   35   36   37   39   43   46 
LCS_GDT     G   234_A     G   234_A      5    8   39      3    4    5    7    8    8   10   13   15   21   24   31   32   34   37   38   40   45   49   56 
LCS_GDT     K   235_A     K   235_A      5    8   39      3    4    5    7    8    8   14   17   19   23   26   31   35   37   39   45   58   61   64   68 
LCS_GDT     A   236_A     A   236_A      3    6   39      1    3   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     A   237_A     A   237_A      3   15   39      3    3    8   12   16   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     N   238_A     N   238_A      5   15   39      3    5    6    8   11   16   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     K   239_A     K   239_A      5   15   39      3    5    7   12   16   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     D   240_A     D   240_A      5   15   39      3    5    6    9   16   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     N   241_A     N   241_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     W   242_A     W   242_A     11   15   39      7   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     N   243_A     N   243_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     K   244_A     K   244_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     F   245_A     F   245_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     L   246_A     L   246_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     M   247_A     M   247_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     A   248_A     A   248_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     I   249_A     I   249_A     11   15   39      8   10   13   14   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     K   250_A     K   250_A     11   15   39      4   10   13   14   17   20   22   24   28   33   37   42   47   52   56   58   62   64   66   68 
LCS_GDT     T   251_A     T   251_A     11   15   39      4   10   13   14   17   20   22   24   28   33   37   42   47   52   56   58   62   64   66   68 
LCS_GDT     S   252_A     S   252_A      5   15   39      4    4    7   13   17   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     H   253_A     H   253_A      3   15   39      3    3    7   10   14   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     S   254_A     S   254_A      3    8   39      3    3    5    7   11   16   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     P   255_A     P   255_A      3   10   39      3    3    3    4    5    8   11   18   22   27   34   41   49   52   56   58   62   64   66   68 
LCS_GDT     V   256_A     V   256_A     13   14   39      6    9   13   13   14   16   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     C   257_A     C   257_A     13   14   39      6   10   13   13   14   14   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     Q   258_A     Q   258_A     13   14   39      6    9   13   13   14   16   20   24   28   33   34   45   49   52   56   58   61   64   66   68 
LCS_GDT     D   259_A     D   259_A     13   14   39      6   10   13   13   14   16   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     V   260_A     V   260_A     13   14   39      6   10   13   13   14   14   19   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     L   261_A     L   261_A     13   14   39      6   10   13   13   14   14   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     K   262_A     K   262_A     13   14   39      6   10   13   13   14   17   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     F   263_A     F   263_A     13   14   39      6   10   13   13   14   14   19   23   27   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     I   264_A     I   264_A     13   14   39      6   10   13   13   14   14   18   23   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     S   265_A     S   265_A     13   14   39      6   10   13   13   14   15   20   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     Q   266_A     Q   266_A     13   14   39      3    9   13   13   14   14   19   23   27   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     W   267_A     W   267_A     13   14   39      3   10   13   13   14   14   14   16   21   27   30   34   42   47   56   58   62   64   66   68 
LCS_GDT     C   268_A     C   268_A     13   14   39      5   10   13   13   14   14   14   16   22   29   37   41   49   52   56   58   62   64   66   68 
LCS_GDT     G   269_A     G   269_A     10   14   39      3    4    7   12   14   14   19   23   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_GDT     G   270_A     G   270_A      4    5   39      3    3    4    4   12   15   16   21   25   30   36   42   48   51   56   58   62   64   66   68 
LCS_GDT     L   271_A     L   271_A      4    5   39      3    3   10   12   13   15   18   24   27   33   39   42   49   52   56   58   62   64   66   68 
LCS_GDT     P   272_A     P   272_A      4    5   39      3    3    6    9   16   20   22   24   28   33   39   45   49   52   56   58   62   64   66   68 
LCS_AVERAGE  LCS_A:   9.96  (   4.53    6.53   18.82 )

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     13     21     25     26     36     43     49     54     60     66     70     74     74     78     86     90     98    101    107    113 
GDT PERCENT_AT   4.81   7.78   9.26   9.63  13.33  15.93  18.15  20.00  22.22  24.44  25.93  27.41  27.41  28.89  31.85  33.33  36.30  37.41  39.63  41.85
GDT RMS_LOCAL    0.30   0.60   0.80   1.29   1.92   2.08   2.33   2.59   2.89   3.06   3.25   3.49   3.49   4.73   5.15   5.64   6.01   6.12   7.01   7.27
GDT RMS_ALL_AT  33.49  33.58  33.22  29.53  28.46  28.46  28.26  27.64  27.58  27.86  27.74  27.85  27.85  28.74  28.41  27.90  27.62  27.52  22.56  22.59

# Checking swapping
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    30_A      Y    30_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  Y    70_A      Y    70_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  F   107_A      F   107_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  F   124_A      F   124_A
#   possible swapping detected:  F   126_A      F   126_A
#   possible swapping detected:  D   135_A      D   135_A
#   possible swapping detected:  E   138_A      E   138_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  F   150_A      F   150_A
#   possible swapping detected:  D   154_A      D   154_A
#   possible swapping detected:  E   171_A      E   171_A
#   possible swapping detected:  E   173_A      E   173_A
#   possible swapping detected:  E   174_A      E   174_A
#   possible swapping detected:  D   177_A      D   177_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  D   195_A      D   195_A
#   possible swapping detected:  E   196_A      E   196_A
#   possible swapping detected:  E   201_A      E   201_A
#   possible swapping detected:  Y   221_A      Y   221_A
#   possible swapping detected:  F   230_A      F   230_A
#   possible swapping detected:  D   259_A      D   259_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    16.515     0    0.296   0.367    18.685    0.000    0.000
LGA    P     2_A      P     2_A    12.174     0    0.072   0.243    13.707    0.000    0.000
LGA    A     3_A      A     3_A    12.469     0    0.073   0.069    13.328    0.000    0.000
LGA    N     4_A      N     4_A    11.758     0    0.554   1.195    15.138    0.000    0.000
LGA    P     5_A      P     5_A    13.451     0    0.037   0.300    14.909    0.000    0.000
LGA    Q     6_A      Q     6_A     8.021     0    0.217   1.614    11.236    9.167    6.455
LGA    N     7_A      N     7_A     4.148     0    0.275   1.061     8.742   39.167   26.726
LGA    F     8_A      F     8_A     5.187     0    0.084   1.321    12.601   30.119   13.247
LGA    N     9_A      N     9_A     4.291     0    0.039   1.233     7.815   40.476   30.060
LGA    I    10_A      I    10_A     2.466     0    0.031   0.593     3.118   61.071   62.976
LGA    Y    11_A      Y    11_A     2.833     0    0.047   0.150     3.479   53.571   62.659
LGA    K    12_A      K    12_A     4.223     0    0.035   0.885     7.467   40.238   31.270
LGA    R    13_A      R    13_A     3.011     0    0.044   0.946     3.350   51.786   67.662
LGA    I    14_A      I    14_A     2.661     0    0.031   1.372     4.313   53.571   52.024
LGA    F    15_A      F    15_A     4.172     0    0.053   1.340     6.778   37.262   30.216
LGA    T    16_A      T    16_A     4.730     0    0.035   0.083     5.190   32.857   31.497
LGA    D    17_A      D    17_A     4.074     0    0.044   0.963     7.103   35.714   31.071
LGA    M    18_A      M    18_A     4.699     0    0.012   1.315     5.275   30.238   37.262
LGA    V    19_A      V    19_A     5.432     0    0.135   1.303     6.925   21.786   21.156
LGA    S    20_A      S    20_A     5.858     0    0.231   0.686     8.514   29.405   20.873
LGA    S    21_A      S    21_A     3.112     0    0.141   0.214     6.377   61.190   48.016
LGA    P    22_A      P    22_A     4.693     0    0.110   0.415     8.578   32.857   22.993
LGA    G    23_A      G    23_A     3.011     0    0.087   0.087     3.594   52.024   52.024
LGA    T    24_A      T    24_A     2.294     0    0.697   0.745     4.825   53.095   55.034
LGA    N    25_A      N    25_A     7.095     0    0.366   0.644    13.060   15.833    7.976
LGA    C    26_A      C    26_A     3.653     0    0.558   0.869     4.609   38.810   46.349
LGA    A    27_A      A    27_A     6.083     0    0.068   0.065     7.381   22.738   20.190
LGA    E    28_A      E    28_A     5.613     0    0.183   0.888    11.273   27.857   15.450
LGA    A    29_A      A    29_A     3.365     0    0.209   0.208     4.248   52.262   53.238
LGA    Y    30_A      Y    30_A     2.575     0    0.050   1.286     9.714   62.976   36.786
LGA    H    31_A      H    31_A     1.798     0    0.104   1.350     4.828   72.976   59.095
LGA    S    32_A      S    32_A     2.152     0    0.045   0.666     2.627   66.786   67.619
LGA    W    33_A      W    33_A     2.016     0    0.031   1.189     6.725   68.810   49.796
LGA    A    34_A      A    34_A     1.139     0    0.068   0.102     1.526   79.286   81.524
LGA    D    35_A      D    35_A     1.385     0    0.040   0.449     1.713   77.143   78.274
LGA    L    36_A      L    36_A     1.845     0    0.109   1.118     5.342   77.143   57.857
LGA    R    37_A      R    37_A     0.766     0    0.058   1.217     5.617   88.214   71.558
LGA    D    38_A      D    38_A     0.911     0    0.068   0.926     3.292   85.952   72.798
LGA    V    39_A      V    39_A     1.029     0    0.019   1.153     2.749   81.429   74.490
LGA    L    40_A      L    40_A     1.115     0    0.039   1.036     4.783   85.952   69.583
LGA    F    41_A      F    41_A     0.834     0    0.043   1.296     6.141   90.476   63.636
LGA    N    42_A      N    42_A     0.745     0    0.067   0.880     3.648   90.476   78.214
LGA    L    43_A      L    43_A     1.014     0    0.039   0.194     2.009   88.214   80.595
LGA    C    44_A      C    44_A     1.086     0    0.035   0.807     4.360   85.952   75.635
LGA    E    45_A      E    45_A     0.618     0    0.077   0.601     1.427   88.214   87.460
LGA    N    46_A      N    46_A     0.727     0    0.029   1.206     5.562   92.857   71.786
LGA    L    47_A      L    47_A     0.474     0    0.114   1.251     5.529  100.000   72.679
LGA    V    48_A      V    48_A     1.172     0    0.044   1.147     4.204   83.690   76.667
LGA    K    49_A      K    49_A     2.124     0    0.125   0.767     4.004   68.810   56.243
LGA    S    50_A      S    50_A     1.846     0    0.060   0.088     4.923   77.143   63.889
LGA    S    51_A      S    51_A     3.476     0    0.432   0.428     5.435   43.095   43.254
LGA    E    52_A      E    52_A     6.381     0    0.673   1.071    10.334   20.476   10.265
LGA    A    53_A      A    53_A     4.997     0    0.616   0.597     5.458   41.429   38.381
LGA    N    54_A      N    54_A     4.741     0    0.418   1.114     8.748   37.738   25.833
LGA    S    55_A      S    55_A     4.659     0    0.630   0.749     8.143   37.262   27.857
LGA    P    56_A      P    56_A     4.181     0    0.050   0.074     4.855   37.143   34.694
LGA    A    57_A      A    57_A     5.447     0    0.034   0.046     6.714   28.810   25.714
LGA    H    58_A      H    58_A     4.944     0    0.027   0.748     9.088   34.286   21.095
LGA    E    59_A      E    59_A     2.725     0    0.031   0.827     4.944   59.167   55.291
LGA    E    60_A      E    60_A     3.238     0    0.074   1.232     6.279   51.786   36.720
LGA    F    61_A      F    61_A     3.912     0    0.068   1.325     9.868   46.667   23.896
LGA    K    62_A      K    62_A     3.017     0    0.044   1.380     9.616   55.476   36.085
LGA    T    63_A      T    63_A     2.062     0    0.030   0.109     3.373   66.786   60.612
LGA    M    64_A      M    64_A     3.174     0    0.044   1.252     5.626   55.357   46.786
LGA    L    65_A      L    65_A     3.050     0    0.044   1.138     7.190   57.262   41.905
LGA    L    66_A      L    66_A     2.640     0    0.013   0.890     4.443   60.952   52.202
LGA    I    67_A      I    67_A     2.662     0    0.038   1.411     7.082   62.857   45.417
LGA    A    68_A      A    68_A     2.601     0    0.040   0.039     3.829   62.857   58.952
LGA    H    69_A      H    69_A     2.907     0    0.041   1.086     6.647   59.048   41.857
LGA    Y    70_A      Y    70_A     3.330     0    0.031   1.418    12.597   53.571   25.516
LGA    Y    71_A      Y    71_A     2.523     0    0.044   0.424     6.097   66.905   43.849
LGA    A    72_A      A    72_A     2.541     0    0.032   0.034     3.908   61.071   57.524
LGA    T    73_A      T    73_A     4.219     0    0.012   0.990     7.789   41.905   29.932
LGA    R    74_A      R    74_A     3.292     0    0.033   1.487     5.487   59.167   45.584
LGA    S    75_A      S    75_A     1.832     0    0.035   0.071     4.348   75.000   64.524
LGA    A    76_A      A    76_A     4.264     0    0.054   0.071     5.633   40.714   36.857
LGA    A    77_A      A    77_A     4.919     0    0.086   0.084     5.830   37.262   34.095
LGA    Q    78_A      Q    78_A     2.047     0    0.735   1.025     6.878   59.524   49.630
LGA    S    79_A      S    79_A     1.682     0    0.478   0.683     4.627   67.143   59.524
LGA    V    80_A      V    80_A     6.758     0    0.211   1.209     9.126   14.524    9.116
LGA    K    81_A      K    81_A    10.373     0    0.045   1.143    15.835    0.714    0.317
LGA    Q    82_A      Q    82_A    14.316     0    0.208   0.922    15.741    0.000    0.000
LGA    L    83_A      L    83_A    13.247     0    0.259   0.995    13.716    0.000    0.000
LGA    E    84_A      E    84_A    13.042     0    0.062   0.948    14.982    0.000    0.000
LGA    T    85_A      T    85_A    17.159     0    0.030   0.940    20.424    0.000    0.000
LGA    V    86_A      V    86_A    16.433     0    0.073   1.246    16.457    0.000    0.000
LGA    A    87_A      A    87_A    13.742     0    0.031   0.059    15.270    0.000    0.000
LGA    A    88_A      A    88_A    17.288     0    0.000   0.035    19.062    0.000    0.000
LGA    R    89_A      R    89_A    19.916     0    0.036   1.231    21.865    0.000    0.000
LGA    L    90_A      L    90_A    16.768     0    0.036   0.359    17.649    0.000    0.000
LGA    S    91_A      S    91_A    17.621     0    0.030   0.751    19.965    0.000    0.000
LGA    V    92_A      V    92_A    22.105     0    0.058   1.195    25.124    0.000    0.000
LGA    S    93_A      S    93_A    21.412     0    0.041   0.753    21.821    0.000    0.000
LGA    L    94_A      L    94_A    18.598     0    0.144   0.952    20.593    0.000    0.000
LGA    L    95_A      L    95_A    23.069     0    0.060   1.033    28.105    0.000    0.000
LGA    R    96_A      R    96_A    24.517     0    0.179   1.338    28.592    0.000    0.000
LGA    H    97_A      H    97_A    21.958     0    0.209   0.259    22.601    0.000    0.000
LGA    T    98_A      T    98_A    23.965     0    0.621   0.563    26.337    0.000    0.000
LGA    Q    99_A      Q    99_A    24.321     0    0.604   1.120    26.177    0.000    0.000
LGA    L   100_A      L   100_A    21.307     0    0.177   1.265    22.426    0.000    0.000
LGA    L   101_A      L   101_A    21.319     0    0.614   0.568    21.887    0.000    0.000
LGA    P   102_A      P   102_A    24.219     0    0.281   0.425    25.480    0.000    0.000
LGA    V   103_A      V   103_A    24.697     0    0.617   0.593    25.830    0.000    0.000
LGA    D   104_A      D   104_A    28.944     0    0.136   0.799    31.479    0.000    0.000
LGA    K   105_A      K   105_A    24.387     0    0.072   0.693    25.968    0.000    0.000
LGA    A   106_A      A   106_A    19.595     0    0.054   0.059    21.415    0.000    0.000
LGA    F   107_A      F   107_A    23.884     0    0.061   1.201    27.278    0.000    0.000
LGA    Y   108_A      Y   108_A    24.284     0    0.025   1.199    32.823    0.000    0.000
LGA    E   109_A      E   109_A    18.227     0    0.038   0.385    20.364    0.000    0.000
LGA    A   110_A      A   110_A    17.961     0    0.036   0.057    19.129    0.000    0.000
LGA    G   111_A      G   111_A    22.256     0    0.034   0.034    22.256    0.000    0.000
LGA    I   112_A      I   112_A    19.905     0    0.041   1.057    20.585    0.000    0.000
LGA    A   113_A      A   113_A    14.803     0    0.040   0.051    16.601    0.000    0.000
LGA    A   114_A      A   114_A    18.166     0    0.036   0.059    20.098    0.000    0.000
LGA    K   115_A      K   115_A    20.920     0    0.058   0.997    28.823    0.000    0.000
LGA    A   116_A      A   116_A    16.434     0    0.692   0.637    17.830    0.000    0.000
LGA    V   117_A      V   117_A    13.353     0    0.599   0.557    14.031    0.000    0.000
LGA    G   118_A      G   118_A    17.199     0    0.694   0.694    19.330    0.000    0.000
LGA    W   119_A      W   119_A    20.396     0    0.352   1.015    23.494    0.000    0.000
LGA    D   120_A      D   120_A    27.336     0    0.076   1.079    30.451    0.000    0.000
LGA    N   121_A      N   121_A    31.125     0    0.030   1.184    31.683    0.000    0.000
LGA    M   122_A      M   122_A    26.364     0    0.035   1.288    27.509    0.000    0.000
LGA    A   123_A      A   123_A    27.011     0    0.022   0.032    30.544    0.000    0.000
LGA    F   124_A      F   124_A    34.450     0    0.036   1.227    41.052    0.000    0.000
LGA    I   125_A      I   125_A    34.444     0    0.027   1.357    34.944    0.000    0.000
LGA    F   126_A      F   126_A    29.140     0    0.018   0.706    31.069    0.000    0.000
LGA    L   127_A      L   127_A    33.098     0    0.046   0.969    36.743    0.000    0.000
LGA    N   128_A      N   128_A    39.217     0    0.042   0.574    44.908    0.000    0.000
LGA    R   129_A      R   129_A    35.727     0    0.064   1.418    36.486    0.000    0.000
LGA    F   130_A      F   130_A    33.863     0    0.050   0.906    37.376    0.000    0.000
LGA    L   131_A      L   131_A    41.076     0    0.044   0.093    43.779    0.000    0.000
LGA    D   132_A      D   132_A    43.104     0    0.033   1.396    45.143    0.000    0.000
LGA    L   133_A      L   133_A    38.351     0    0.093   1.122    40.341    0.000    0.000
LGA    T   134_A      T   134_A    42.254     0    0.050   1.215    45.843    0.000    0.000
LGA    D   135_A      D   135_A    48.415     0    0.064   0.834    51.778    0.000    0.000
LGA    A   136_A      A   136_A    45.582     0    0.092   0.089    45.962    0.000    0.000
LGA    I   137_A      I   137_A    42.611     0    0.094   1.518    45.439    0.000    0.000
LGA    E   138_A      E   138_A    49.028     0    0.096   1.470    52.625    0.000    0.000
LGA    E   139_A      E   139_A    51.739     0    0.257   1.046    55.828    0.000    0.000
LGA    G   140_A      G   140_A    46.283     0    0.167   0.167    47.912    0.000    0.000
LGA    T   141_A      T   141_A    46.849     0    0.048   1.036    51.138    0.000    0.000
LGA    L   142_A      L   142_A    43.108     0    0.655   1.264    45.542    0.000    0.000
LGA    D   143_A      D   143_A    47.412     0    0.552   1.490    48.408    0.000    0.000
LGA    G   144_A      G   144_A    50.285     0    0.725   0.725    51.776    0.000    0.000
LGA    L   145_A      L   145_A    50.124     0    0.064   0.244    51.149    0.000    0.000
LGA    D   146_A      D   146_A    49.374     0    0.062   0.966    49.899    0.000    0.000
LGA    H   147_A      H   147_A    48.886     0    0.455   0.838    49.095    0.000    0.000
LGA    S   148_A      S   148_A    49.750     0    0.640   0.826    50.087    0.000    0.000
LGA    D   149_A      D   149_A    50.600     0    0.671   1.186    55.572    0.000    0.000
LGA    F   150_A      F   150_A    45.356     0    0.339   0.419    51.542    0.000    0.000
LGA    Q   151_A      Q   151_A    40.753     0    0.143   1.140    42.665    0.000    0.000
LGA    D   152_A      D   152_A    37.784     0    0.037   1.298    40.915    0.000    0.000
LGA    T   153_A      T   153_A    32.687     0    0.052   0.116    34.678    0.000    0.000
LGA    D   154_A      D   154_A    28.821     0    0.295   1.061    29.660    0.000    0.000
LGA    I   155_A      I   155_A    30.844     0    0.608   0.918    33.100    0.000    0.000
LGA    P   156_A      P   156_A    32.414     0    0.073   0.400    33.724    0.000    0.000
LGA    F   157_A      F   157_A    34.270     0    0.607   1.098    37.832    0.000    0.000
LGA    E   158_A      E   158_A    37.683     0    0.549   1.008    38.902    0.000    0.000
LGA    V   159_A      V   159_A    38.193     0    0.540   1.145    40.709    0.000    0.000
LGA    P   160_A      P   160_A    40.853     0    0.132   0.236    41.015    0.000    0.000
LGA    L   161_A      L   161_A    41.294     0    0.586   1.024    46.915    0.000    0.000
LGA    P   162_A      P   162_A    40.951     0    0.648   0.699    41.847    0.000    0.000
LGA    A   163_A      A   163_A    44.113     0    0.650   0.597    47.383    0.000    0.000
LGA    K   164_A      K   164_A    44.180     0    0.081   1.141    47.671    0.000    0.000
LGA    Q   165_A      Q   165_A    40.234     0    0.563   1.205    42.177    0.000    0.000
LGA    H   166_A      H   166_A    38.591     0    0.085   1.099    39.615    0.000    0.000
LGA    V   167_A      V   167_A    41.667     0    0.274   0.296    44.409    0.000    0.000
LGA    P   168_A      P   168_A    43.806     0    0.248   0.410    44.627    0.000    0.000
LGA    E   169_A      E   169_A    47.288     0    0.054   1.260    53.976    0.000    0.000
LGA    A   170_A      A   170_A    44.234     0    0.035   0.039    45.292    0.000    0.000
LGA    E   171_A      E   171_A    40.412     0    0.052   1.023    41.946    0.000    0.000
LGA    R   172_A      R   172_A    43.753     0    0.048   1.950    50.034    0.000    0.000
LGA    E   173_A      E   173_A    45.235     0    0.085   1.419    46.780    0.000    0.000
LGA    E   174_A      E   174_A    39.906     0    0.032   1.203    41.739    0.000    0.000
LGA    V   175_A      V   175_A    38.378     0    0.045   0.068    40.020    0.000    0.000
LGA    R   176_A      R   176_A    43.718     0    0.032   0.917    47.971    0.000    0.000
LGA    D   177_A      D   177_A    42.730     0    0.022   1.111    45.392    0.000    0.000
LGA    W   178_A      W   178_A    37.775     0    0.030   1.560    39.269    0.000    0.000
LGA    V   179_A      V   179_A    40.527     0    0.037   1.279    43.150    0.000    0.000
LGA    L   180_A      L   180_A    45.781     0    0.038   0.078    50.675    0.000    0.000
LGA    T   181_A      T   181_A    42.976     0    0.093   1.280    43.594    0.000    0.000
LGA    V   182_A      V   182_A    40.943     0    0.046   0.125    43.321    0.000    0.000
LGA    S   183_A      S   183_A    46.367     0    0.057   0.679    50.064    0.000    0.000
LGA    M   184_A      M   184_A    47.455     0    0.116   1.342    49.232    0.000    0.000
LGA    D   185_A      D   185_A    46.758     0    0.138   0.726    49.986    0.000    0.000
LGA    L   188_A      L   188_A    47.736     0    0.590   0.927    51.345    0.000    0.000
LGA    E   189_A      E   189_A    49.341     0    0.595   1.065    49.881    0.000    0.000
LGA    Q   190_A      Q   190_A    50.245     0    0.490   1.472    52.101    0.000    0.000
LGA    V   191_A      V   191_A    47.901     0    0.632   0.632    48.298    0.000    0.000
LGA    L   192_A      L   192_A    48.243     0    0.579   1.057    50.094    0.000    0.000
LGA    P   193_A      P   193_A    46.742     0    0.588   0.665    46.863    0.000    0.000
LGA    R   194_A      R   194_A    43.582     0    0.074   1.126    54.247    0.000    0.000
LGA    D   195_A      D   195_A    36.720     0    0.085   1.080    39.358    0.000    0.000
LGA    E   196_A      E   196_A    34.987     0    0.677   1.371    35.271    0.000    0.000
LGA    R   197_A      R   197_A    36.425     0    0.243   0.742    36.895    0.000    0.000
LGA    G   198_A      G   198_A    37.175     0    0.335   0.335    37.175    0.000    0.000
LGA    A   199_A      A   199_A    33.961     0    0.573   0.575    34.978    0.000    0.000
LGA    Y   200_A      Y   200_A    35.141     0    0.593   0.483    39.043    0.000    0.000
LGA    E   201_A      E   201_A    31.822     0    0.175   0.644    36.298    0.000    0.000
LGA    A   202_A      A   202_A    27.689     0    0.237   0.238    29.617    0.000    0.000
LGA    S   203_A      S   203_A    27.873     0    0.590   0.535    29.691    0.000    0.000
LGA    L   204_A      L   204_A    27.362     0    0.070   1.070    29.624    0.000    0.000
LGA    V   205_A      V   205_A    27.861     0    0.576   0.938    30.947    0.000    0.000
LGA    A   206_A      A   206_A    24.849     0    0.547   0.574    26.082    0.000    0.000
LGA    A   207_A      A   207_A    28.680     0    0.131   0.126    30.093    0.000    0.000
LGA    S   208_A      S   208_A    31.384     0    0.100   0.198    32.312    0.000    0.000
LGA    T   209_A      T   209_A    30.507     0    0.567   0.601    30.972    0.000    0.000
LGA    G   210_A      G   210_A    28.759     0    0.346   0.346    29.331    0.000    0.000
LGA    V   211_A      V   211_A    22.324     0    0.239   1.175    24.630    0.000    0.000
LGA    R   212_A      R   212_A    23.963     0    0.198   1.448    29.069    0.000    0.000
LGA    A   213_A      A   213_A    23.262     0    0.594   0.562    24.880    0.000    0.000
LGA    L   214_A      L   214_A    21.431     0    0.672   0.687    22.934    0.000    0.000
LGA    P   215_A      P   215_A    20.373     0    0.632   0.895    21.473    0.000    0.000
LGA    C   216_A      C   216_A    19.051     0    0.571   0.536    22.096    0.000    0.000
LGA    L   217_A      L   217_A    24.528     0    0.201   0.726    28.599    0.000    0.000
LGA    I   218_A      I   218_A    26.440     0    0.066   1.560    28.043    0.000    0.000
LGA    T   219_A      T   219_A    23.943     0    0.152   0.202    24.964    0.000    0.000
LGA    G   220_A      G   220_A    25.127     0    0.670   0.670    25.127    0.000    0.000
LGA    Y   221_A      Y   221_A    22.659     0    0.184   0.985    23.677    0.000    0.000
LGA    P   222_A      P   222_A    22.456     0    0.646   0.549    23.064    0.000    0.000
LGA    I   223_A      I   223_A    21.343     0    0.342   1.359    25.058    0.000    0.000
LGA    L   224_A      L   224_A    19.212     0    0.133   0.299    20.746    0.000    0.000
LGA    R   225_A      R   225_A    20.915     0    0.272   1.580    23.212    0.000    0.000
LGA    N   226_A      N   226_A    22.816     0    0.561   0.617    25.828    0.000    0.000
LGA    K   227_A      K   227_A    22.787     0    0.409   1.292    23.225    0.000    0.000
LGA    I   228_A      I   228_A    25.938     0    0.602   0.559    29.222    0.000    0.000
LGA    E   229_A      E   229_A    25.592     0    0.077   0.612    25.640    0.000    0.000
LGA    F   230_A      F   230_A    26.092     0    0.211   0.294    29.001    0.000    0.000
LGA    K   231_A      K   231_A    25.584     0    0.115   0.632    29.220    0.000    0.000
LGA    R   232_A      R   232_A    26.431     0    0.197   1.428    28.881    0.000    0.000
LGA    P   233_A      P   233_A    27.673     0    0.055   0.247    28.885    0.000    0.000
LGA    G   234_A      G   234_A    29.942     0    0.736   0.736    29.942    0.000    0.000
LGA    K   235_A      K   235_A    30.384     0    0.521   1.430    37.776    0.000    0.000
LGA    A   236_A      A   236_A    25.186     0    0.098   0.127    27.470    0.000    0.000
LGA    A   237_A      A   237_A    21.234     0    0.574   0.569    22.217    0.000    0.000
LGA    N   238_A      N   238_A    20.318     0    0.633   1.002    23.144    0.000    0.000
LGA    K   239_A      K   239_A    21.027     0    0.097   0.888    21.849    0.000    0.000
LGA    D   240_A      D   240_A    20.374     0    0.615   0.545    21.381    0.000    0.000
LGA    N   241_A      N   241_A    23.006     0    0.337   1.251    23.954    0.000    0.000
LGA    W   242_A      W   242_A    24.537     0    0.072   1.064    30.907    0.000    0.000
LGA    N   243_A      N   243_A    24.059     0    0.065   0.973    25.125    0.000    0.000
LGA    K   244_A      K   244_A    24.487     0    0.045   0.916    26.414    0.000    0.000
LGA    F   245_A      F   245_A    27.148     0    0.060   0.907    28.709    0.000    0.000
LGA    L   246_A      L   246_A    28.317     0    0.046   1.397    30.865    0.000    0.000
LGA    M   247_A      M   247_A    28.166     0    0.083   1.010    30.106    0.000    0.000
LGA    A   248_A      A   248_A    29.702     0    0.048   0.052    31.849    0.000    0.000
LGA    I   249_A      I   249_A    31.795     0    0.048   1.422    33.120    0.000    0.000
LGA    K   250_A      K   250_A    32.497     0    0.125   0.651    34.808    0.000    0.000
LGA    T   251_A      T   251_A    33.358     0    0.056   1.002    34.618    0.000    0.000
LGA    S   252_A      S   252_A    32.997     0    0.691   0.817    35.527    0.000    0.000
LGA    H   253_A      H   253_A    32.033     0    0.534   1.108    34.383    0.000    0.000
LGA    S   254_A      S   254_A    31.686     0    0.573   0.537    32.029    0.000    0.000
LGA    P   255_A      P   255_A    29.087     0    0.744   0.664    32.405    0.000    0.000
LGA    V   256_A      V   256_A    29.272     0    0.560   0.957    30.815    0.000    0.000
LGA    C   257_A      C   257_A    30.039     0    0.087   0.834    34.329    0.000    0.000
LGA    Q   258_A      Q   258_A    26.574     0    0.071   1.518    27.767    0.000    0.000
LGA    D   259_A      D   259_A    26.308     0    0.065   1.285    26.940    0.000    0.000
LGA    V   260_A      V   260_A    28.320     0    0.035   0.124    30.237    0.000    0.000
LGA    L   261_A      L   261_A    27.267     0    0.044   0.842    27.605    0.000    0.000
LGA    K   262_A      K   262_A    26.664     0    0.009   1.677    28.685    0.000    0.000
LGA    F   263_A      F   263_A    28.214     0    0.054   1.333    32.234    0.000    0.000
LGA    I   264_A      I   264_A    28.396     0    0.042   1.225    32.156    0.000    0.000
LGA    S   265_A      S   265_A    27.771     0    0.048   0.456    29.611    0.000    0.000
LGA    Q   266_A      Q   266_A    29.888     0    0.091   1.326    35.233    0.000    0.000
LGA    W   267_A      W   267_A    30.636     0    0.034   1.477    35.464    0.000    0.000
LGA    C   268_A      C   268_A    30.137     0    0.210   0.699    30.980    0.000    0.000
LGA    G   269_A      G   269_A    29.461     0    0.630   0.630    29.461    0.000    0.000
LGA    G   270_A      G   270_A    29.089     0    0.285   0.285    29.875    0.000    0.000
LGA    L   271_A      L   271_A    29.071     0    0.098   1.287    33.569    0.000    0.000
LGA    P   272_A      P   272_A    26.733     0    0.221   0.415    29.757    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      270    1080   1080  100.00    2127   2127  100.00               270
SUMMARY(RMSD_GDC):    19.706         19.702                 20.191           15.302   12.874

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  272  270    4.0     54    2.59    17.685    15.548     2.009

LGA_LOCAL      RMSD:   2.588  Number of atoms:   54  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.643  Number of assigned atoms:  270 
Std_ASGN_ATOMS RMSD:  19.706  Standard rmsd on all 270 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.927066 * X  +  -0.030358 * Y  +  -0.373667 * Z  + 138.941864
  Y_new =   0.165661 * X  +   0.860953 * Y  +  -0.480953 * Z  +  20.316399
  Z_new =   0.336310 * X  +  -0.507777 * Y  +  -0.793132 * Z  +  62.671417 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.964765 -0.342996 -2.572125   [DEG:  169.8685  -19.6522 -147.3719 ]
ZXZ: -0.660515  2.486730  2.556606   [DEG:  -37.8447  142.4791  146.4827 ]
 
# END of job
