
#######################################################
#                                                     #
#                        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:    53      18_A - 70_A        4.98    24.57
  LONGEST_CONTINUOUS_SEGMENT:    53      20_A - 72_A        4.95    24.50
  LONGEST_CONTINUOUS_SEGMENT:    53      21_A - 73_A        4.85    24.60
  LONGEST_CONTINUOUS_SEGMENT:    53      22_A - 74_A        4.89    24.82
  LCS_AVERAGE:     11.41

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      25_A - 51_A        1.84    26.18
  LONGEST_CONTINUOUS_SEGMENT:    27      26_A - 52_A        1.86    24.91
  LONGEST_CONTINUOUS_SEGMENT:    27      27_A - 53_A        1.96    24.48
  LCS_AVERAGE:      5.07

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      28_A - 51_A        0.96    25.82
  LCS_AVERAGE:      3.69

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      3    3   35      0    3    3    3    4    4    4    5    5   13   15   17   22   25   25   25   31   39   46   49 
LCS_GDT     P     2_A     P     2_A      3    6   37      0    3    4    4    7   10   15   16   21   25   26   30   32   35   37   38   40   50   57   62 
LCS_GDT     A     3_A     A     3_A      5    6   37      0    9   12   13   15   19   21   25   28   30   32   33   35   35   37   39   45   50   57   62 
LCS_GDT     N     4_A     N     4_A      5    6   37      4    7   11   15   17   20   25   26   29   30   32   33   35   35   37   39   45   50   57   62 
LCS_GDT     P     5_A     P     5_A      5   10   37      4    4    5    6    7   12   15   19   22   23   31   33   35   35   37   39   45   50   57   62 
LCS_GDT     Q     6_A     Q     6_A      5   13   37      4    4    5    6    7    9   12   15   18   22   23   26   28   32   36   39   45   50   57   62 
LCS_GDT     N     7_A     N     7_A     10   16   37      7    8   10   13   17   19   25   26   29   30   32   33   35   35   37   39   45   50   57   62 
LCS_GDT     F     8_A     F     8_A     10   16   37      7    8   10   13   17   19   25   26   29   30   32   33   35   35   37   39   45   50   57   62 
LCS_GDT     N     9_A     N     9_A     10   16   37      7    8   10   13   17   20   25   26   29   30   32   33   35   35   37   38   41   47   51   54 
LCS_GDT     I    10_A     I    10_A     10   16   37      7    8   11   15   17   20   25   26   29   30   32   33   35   35   37   38   43   47   57   62 
LCS_GDT     Y    11_A     Y    11_A     10   16   37      7    8   11   15   17   20   25   26   29   30   32   33   35   35   37   39   45   50   57   62 
LCS_GDT     K    12_A     K    12_A     10   16   37      7    8   11   15   17   20   25   26   29   30   32   33   35   35   37   38   41   47   57   62 
LCS_GDT     R    13_A     R    13_A     10   16   37      7    8   12   15   17   20   25   26   29   30   32   33   35   35   37   42   46   48   52   55 
LCS_GDT     I    14_A     I    14_A     10   16   37      5    9   12   13   17   20   25   26   29   30   32   33   35   38   42   45   53   56   59   65 
LCS_GDT     F    15_A     F    15_A     10   16   48      5    9   12   15   17   20   25   26   29   30   32   33   35   38   42   45   53   56   59   65 
LCS_GDT     T    16_A     T    16_A     10   16   50      6    9   12   15   17   20   25   26   29   30   32   33   35   38   42   45   50   54   59   65 
LCS_GDT     D    17_A     D    17_A     10   16   52      6    9   12   15   17   20   25   26   29   30   32   34   39   45   50   55   57   63   67   69 
LCS_GDT     M    18_A     M    18_A     10   16   53      6    9   12   15   17   20   25   26   29   37   40   47   49   51   54   57   63   72   73   79 
LCS_GDT     V    19_A     V    19_A     10   16   53      6    9   12   15   17   20   25   26   29   30   32   36   44   48   53   57   62   65   70   74 
LCS_GDT     S    20_A     S    20_A     10   16   53      6    9   12   15   17   20   25   26   29   30   32   36   44   48   53   57   62   65   70   74 
LCS_GDT     S    21_A     S    21_A     10   16   53      5    9   12   15   17   20   25   32   36   40   44   47   49   52   56   62   66   72   75   80 
LCS_GDT     P    22_A     P    22_A     10   16   53      3    4   12   18   24   29   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     G    23_A     G    23_A      4   16   53      3    4    5    9   17   28   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     T    24_A     T    24_A      4   14   53      3    4    4    7    9   12   21   26   29   30   32   40   46   50   54   57   62   65   70   76 
LCS_GDT     N    25_A     N    25_A      4   27   53      3    8   12   15   17   20   25   26   29   32   38   40   44   48   54   57   62   65   70   74 
LCS_GDT     C    26_A     C    26_A      5   27   53      5    9   15   21   25   30   36   36   40   42   45   47   49   52   57   64   69   72   77   82 
LCS_GDT     A    27_A     A    27_A      5   27   53      4    5   15   20   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     E    28_A     E    28_A     24   27   53      4    8    9   10   24   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     A    29_A     A    29_A     24   27   53      5   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     Y    30_A     Y    30_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     H    31_A     H    31_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     S    32_A     S    32_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     W    33_A     W    33_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     A    34_A     A    34_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     D    35_A     D    35_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     L    36_A     L    36_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     R    37_A     R    37_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     D    38_A     D    38_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     V    39_A     V    39_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     L    40_A     L    40_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     F    41_A     F    41_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     N    42_A     N    42_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     L    43_A     L    43_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     C    44_A     C    44_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     E    45_A     E    45_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     N    46_A     N    46_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     L    47_A     L    47_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     V    48_A     V    48_A     24   27   53      8   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     K    49_A     K    49_A     24   27   53     19   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     S    50_A     S    50_A     24   27   53     12   22   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     S    51_A     S    51_A     24   27   53      7   21   23   24   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     E    52_A     E    52_A      4   27   53      3    4    6    8   15   26   32   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     A    53_A     A    53_A      4   27   53      3    4    4    7   11   19   33   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     N    54_A     N    54_A      4   26   53      3    4    9   15   24   29   33   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     S    55_A     S    55_A     21   23   53      8   17   21   21   23   26   31   36   39   42   45   47   49   52   57   63   68   72   77   82 
LCS_GDT     P    56_A     P    56_A     21   23   53      8   19   21   21   23   29   33   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     A    57_A     A    57_A     21   23   53     12   19   21   21   23   26   33   36   39   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     H    58_A     H    58_A     21   23   53     12   19   21   21   23   26   33   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     E    59_A     E    59_A     21   23   53     12   19   21   21   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     E    60_A     E    60_A     21   23   53     12   19   21   21   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     F    61_A     F    61_A     21   23   53     11   19   21   21   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     K    62_A     K    62_A     21   23   53      9   19   21   21   23   27   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     T    63_A     T    63_A     21   23   53     12   19   21   24   26   28   36   36   39   42   44   47   49   54   61   64   69   72   77   82 
LCS_GDT     M    64_A     M    64_A     21   23   53     12   19   21   23   26   28   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     L    65_A     L    65_A     21   23   53     12   19   21   21   26   28   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     L    66_A     L    66_A     21   23   53     12   19   21   21   25   28   31   35   37   41   44   47   49   54   61   64   69   72   77   82 
LCS_GDT     I    67_A     I    67_A     21   23   53     12   19   21   21   23   27   31   35   37   41   44   47   49   54   61   64   69   72   77   82 
LCS_GDT     A    68_A     A    68_A     21   23   53     12   19   21   21   23   27   31   35   37   41   44   47   49   54   61   64   69   72   77   82 
LCS_GDT     H    69_A     H    69_A     21   23   53     11   19   21   21   23   26   31   32   36   39   43   47   49   53   57   63   69   72   77   82 
LCS_GDT     Y    70_A     Y    70_A     21   23   53     12   19   21   21   23   26   31   32   35   37   42   47   49   51   55   60   62   70   77   82 
LCS_GDT     Y    71_A     Y    71_A     21   23   53     12   19   21   21   23   26   31   32   35   37   40   45   47   50   53   60   62   72   77   82 
LCS_GDT     A    72_A     A    72_A     21   23   53     11   19   21   21   23   26   31   32   35   37   40   45   47   50   53   56   59   63   76   82 
LCS_GDT     T    73_A     T    73_A     21   23   53     11   19   21   21   22   26   31   32   35   37   38   42   45   48   49   55   59   62   66   72 
LCS_GDT     R    74_A     R    74_A     21   23   53     11   19   21   21   23   26   31   32   35   37   38   42   44   48   49   55   59   62   66   72 
LCS_GDT     S    75_A     S    75_A     21   23   52      8   19   21   21   23   26   31   32   35   37   38   42   42   48   49   55   59   62   66   72 
LCS_GDT     A    76_A     A    76_A      3   23   51      0    3    7   13   23   26   31   32   35   37   38   39   41   43   47   53   56   62   66   72 
LCS_GDT     A    77_A     A    77_A      3    5   50      1    3    4    6    9   12   17   24   31   33   36   38   40   42   47   53   56   61   65   72 
LCS_GDT     Q    78_A     Q    78_A      3    5   48      3    3    4    5    5    9   12   14   20   22   26   32   37   40   47   53   56   61   65   69 
LCS_GDT     S    79_A     S    79_A      3    6   46      3    3    4    5    5    8   12   16   19   21   25   30   37   40   47   53   56   61   65   69 
LCS_GDT     V    80_A     V    80_A      5   18   42      4    5   12   16   16   16   18   22   23   23   24   28   37   40   47   53   56   60   65   69 
LCS_GDT     K    81_A     K    81_A      5   18   25      4    7   12   16   16   17   19   22   23   23   24   26   28   33   42   53   56   61   65   69 
LCS_GDT     Q    82_A     Q    82_A     14   18   25      4    5   12   16   16   16   18   22   23   23   24   29   29   30   33   37   41   47   51   57 
LCS_GDT     L    83_A     L    83_A     14   18   25      5   12   13   16   16   16   18   22   23   23   24   29   29   36   43   48   56   60   64   69 
LCS_GDT     E    84_A     E    84_A     14   18   25      7   12   13   16   16   17   19   22   23   23   24   29   31   39   45   53   56   61   65   69 
LCS_GDT     T    85_A     T    85_A     14   18   25      8   12   13   16   16   16   19   22   23   23   24   29   29   31   34   39   43   51   57   63 
LCS_GDT     V    86_A     V    86_A     14   18   25      8   12   13   16   16   16   19   22   23   23   24   29   29   34   43   48   54   60   63   69 
LCS_GDT     A    87_A     A    87_A     14   18   25      8   12   13   16   16   17   19   22   23   23   24   30   37   40   47   53   56   61   65   69 
LCS_GDT     A    88_A     A    88_A     14   18   25      8   12   13   16   16   17   19   22   23   23   24   29   29   33   40   48   56   61   65   69 
LCS_GDT     R    89_A     R    89_A     14   18   25      8   12   13   16   16   17   19   22   23   23   24   29   31   37   44   49   56   60   64   69 
LCS_GDT     L    90_A     L    90_A     14   18   25      7   12   13   16   16   17   19   22   23   23   24   30   37   40   47   53   56   61   65   69 
LCS_GDT     S    91_A     S    91_A     14   18   25      5   12   13   16   16   17   19   22   23   23   24   29   32   38   47   51   56   61   65   69 
LCS_GDT     V    92_A     V    92_A     14   18   25      8   12   13   16   16   17   19   22   23   23   24   29   29   34   41   46   55   60   63   69 
LCS_GDT     S    93_A     S    93_A     14   18   25      8   12   13   16   16   17   19   22   23   23   24   30   37   40   47   53   56   61   65   69 
LCS_GDT     L    94_A     L    94_A     14   18   25      8   12   13   16   16   17   19   22   23   25   25   29   32   38   47   53   56   61   65   69 
LCS_GDT     L    95_A     L    95_A     14   18   25      4   12   13   16   16   17   19   22   23   23   24   29   29   35   40   45   52   58   64   73 
LCS_GDT     R    96_A     R    96_A     13   18   25      4    5    8   15   15   17   19   22   23   25   25   29   32   39   47   53   56   63   72   77 
LCS_GDT     H    97_A     H    97_A      5   18   25      4    5    9   15   19   21   22   22   23   25   25   29   32   38   47   53   56   61   65   69 
LCS_GDT     T    98_A     T    98_A      4    4   25      4    5    6    6    6    6    9   10   17   23   24   29   32   38   47   53   56   61   65   69 
LCS_GDT     Q    99_A     Q    99_A      4    5   25      4    5    6    6    7   10   12   13   16   23   29   32   33   38   47   53   56   63   72   78 
LCS_GDT     L   100_A     L   100_A      4    5   25      0    4    5    8    9   10   12   13   16   18   23   26   32   39   43   48   55   61   72   74 
LCS_GDT     L   101_A     L   101_A      4    5   25      2    4    4    4    5    6   11   15   18   21   24   26   29   37   41   45   51   54   60   64 
LCS_GDT     P   102_A     P   102_A      4   10   25      0    4    4    4    8   10   11   13   16   18   25   29   33   39   43   45   51   60   64   72 
LCS_GDT     V   103_A     V   103_A      4   10   20      3    5    8    9   10   11   16   19   22   26   29   32   34   36   42   49   56   61   65   69 
LCS_GDT     D   104_A     D   104_A      4   10   20      3    3    5    9   10   11   11   13   16   18   21   26   34   38   47   53   56   61   65   69 
LCS_GDT     K   105_A     K   105_A      7   10   21      5    7    8    9   10   11   12   13   16   18   22   26   34   38   47   53   56   61   65   69 
LCS_GDT     A   106_A     A   106_A      7   10   21      5    7    8    9   10   11   12   13   16   22   25   31   37   40   47   53   56   61   65   69 
LCS_GDT     F   107_A     F   107_A      7   10   21      5    7    8    9   10   11   12   14   17   22   26   31   37   40   47   53   56   61   65   69 
LCS_GDT     Y   108_A     Y   108_A      7   10   21      5    7    8    9   10   11   12   14   17   22   26   31   37   40   47   53   56   61   65   69 
LCS_GDT     E   109_A     E   109_A      7   10   21      5    7    8    9   10   11   12   13   16   18   25   30   37   40   45   53   56   61   65   69 
LCS_GDT     A   110_A     A   110_A      9   10   21      5    8   10   10   11   11   13   14   20   21   26   31   35   40   45   49   54   60   64   69 
LCS_GDT     G   111_A     G   111_A      9   10   21      5    8   10   10   11   11   13   14   20   22   26   30   35   39   45   49   52   58   61   69 
LCS_GDT     I   112_A     I   112_A      9   10   28      4    8   10   10   11   11   13   14   20   22   26   31   37   40   45   53   56   61   64   69 
LCS_GDT     A   113_A     A   113_A      9   10   29      4    8   10   10   11   11   13   14   20   22   26   31   37   40   45   53   56   61   65   69 
LCS_GDT     A   114_A     A   114_A      9   10   29      4    8   10   10   11   11   13   14   20   22   26   31   37   40   45   53   56   60   64   69 
LCS_GDT     K   115_A     K   115_A      9   10   30      4    8   10   10   11   11   13   14   20   22   26   31   37   40   47   53   56   61   65   69 
LCS_GDT     A   116_A     A   116_A      9   10   30      4    8   10   10   11   11   13   15   20   22   26   31   37   40   47   53   56   61   65   69 
LCS_GDT     V   117_A     V   117_A      9   10   30      4    8   10   10   11   11   13   14   20   22   26   31   37   40   47   53   56   61   65   69 
LCS_GDT     G   118_A     G   118_A      9   10   30      4    7   10   10   11   14   14   19   20   23   26   31   37   40   47   53   56   61   65   69 
LCS_GDT     W   119_A     W   119_A      4   18   30      3    3    4    6   10   14   17   21   22   23   26   31   37   40   47   53   56   61   65   69 
LCS_GDT     D   120_A     D   120_A     16   22   30      8   12   16   18   21   21   22   22   23   25   25   31   37   40   47   53   56   61   65   69 
LCS_GDT     N   121_A     N   121_A     16   22   30      8   12   16   19   21   21   22   22   23   25   25   27   35   40   47   53   56   61   65   69 
LCS_GDT     M   122_A     M   122_A     16   22   30      8   13   16   19   21   21   22   22   23   25   25   31   37   40   47   53   56   61   65   69 
LCS_GDT     A   123_A     A   123_A     16   22   30      7   13   16   19   21   21   22   22   23   25   26   29   34   38   47   53   56   61   65   69 
LCS_GDT     F   124_A     F   124_A     16   22   30      7   13   16   19   21   21   22   22   23   25   25   27   34   36   40   45   56   61   65   69 
LCS_GDT     I   125_A     I   125_A     16   22   30      8   13   16   19   21   21   22   22   23   25   25   27   30   34   39   44   56   61   64   69 
LCS_GDT     F   126_A     F   126_A     16   22   30      8   13   16   19   21   21   22   22   23   26   29   32   33   36   41   48   56   61   65   69 
LCS_GDT     L   127_A     L   127_A     16   22   30      8   13   16   19   21   21   22   22   23   26   29   32   33   36   40   44   51   54   58   62 
LCS_GDT     N   128_A     N   128_A     16   22   30      8   13   16   19   21   21   22   22   23   25   25   27   30   34   35   36   37   47   54   59 
LCS_GDT     R   129_A     R   129_A     16   22   30      8   13   16   19   21   21   22   22   23   25   25   27   30   35   37   41   45   48   54   59 
LCS_GDT     F   130_A     F   130_A     16   22   30      4   13   16   19   21   21   22   22   23   25   25   27   30   35   38   44   53   63   72   74 
LCS_GDT     L   131_A     L   131_A     16   22   30      5   13   16   19   21   21   22   22   23   25   25   27   30   34   37   42   55   63   72   74 
LCS_GDT     D   132_A     D   132_A     16   22   30      5   13   16   19   21   21   22   22   23   25   25   27   30   34   35   37   44   45   54   61 
LCS_GDT     L   133_A     L   133_A     16   22   30      5   13   16   19   21   21   22   22   23   25   25   29   32   40   41   51   56   67   76   80 
LCS_GDT     T   134_A     T   134_A     16   22   30      5   12   16   19   21   21   22   22   23   25   27   31   36   40   51   59   67   72   77   82 
LCS_GDT     D   135_A     D   135_A     16   22   30      4   13   16   19   21   21   22   22   23   25   25   27   30   34   35   38   41   47   59   73 
LCS_GDT     A   136_A     A   136_A     15   22   30      4   11   16   19   21   21   22   22   23   25   25   27   30   34   35   38   41   47   51   55 
LCS_GDT     I   137_A     I   137_A     15   22   30      4    9   16   19   21   21   22   22   23   25   25   27   30   34   42   49   61   72   77   82 
LCS_GDT     E   138_A     E   138_A     15   22   30      4   11   16   19   21   21   22   22   23   25   25   27   30   34   38   41   46   53   75   79 
LCS_GDT     E   139_A     E   139_A     15   22   30      4   11   16   19   21   21   22   22   23   25   25   27   30   31   35   36   37   39   40   43 
LCS_GDT     G   140_A     G   140_A     15   22   30      4   11   16   19   21   21   22   22   23   25   25   27   30   34   35   36   37   39   40   43 
LCS_GDT     T   141_A     T   141_A      4   22   30      3    4    5   14   17   20   21   22   23   25   25   27   29   34   35   36   46   67   71   79 
LCS_GDT     L   142_A     L   142_A      4    7   30      3    4    5    6    7    9   13   18   21   30   36   42   49   54   61   64   69   72   77   82 
LCS_GDT     D   143_A     D   143_A      4    7   30      3    4    5    6    7    8   11   12   15   20   21   24   44   48   51   62   67   72   75   81 
LCS_GDT     G   144_A     G   144_A      4    7   30      3    4    6    6    7    8   11   12   15   17   20   24   27   31   37   44   49   53   60   67 
LCS_GDT     L   145_A     L   145_A      4    7   30      3    4    4    6    7    9   13   15   17   19   25   30   34   40   45   54   66   72   77   82 
LCS_GDT     D   146_A     D   146_A      3    7   29      3    3    4    5   10   12   15   18   22   23   29   34   40   46   57   63   69   72   77   82 
LCS_GDT     H   147_A     H   147_A      3    4   23      3    4    7    9   12   14   19   21   24   32   39   43   47   53   61   64   69   72   77   82 
LCS_GDT     S   148_A     S   148_A      3    4   23      3    5    7    7    9   15   18   20   23   23   27   34   37   45   51   62   68   72   77   82 
LCS_GDT     D   149_A     D   149_A      3    4   23      3    3    5    9   13   17   19   22   23   23   24   28   33   40   41   44   49   58   73   79 
LCS_GDT     F   150_A     F   150_A      3    7   23      3    5    6    9   13   17   19   22   23   23   24   26   30   37   40   44   49   56   71   78 
LCS_GDT     Q   151_A     Q   151_A      3    7   23      3    3    7    9   14   17   19   22   23   23   24   26   33   40   41   44   49   56   70   78 
LCS_GDT     D   152_A     D   152_A      3    7   23      3    3    5    9   13   17   19   22   23   23   25   29   34   40   45   51   61   71   77   82 
LCS_GDT     T   153_A     T   153_A      3    7   23      3    3    5    5    7   10   13   17   20   25   29   39   42   50   57   63   69   72   77   82 
LCS_GDT     D   154_A     D   154_A      3    7   23      0    3    5    7   12   15   19   23   30   35   40   43   49   54   61   64   69   72   77   82 
LCS_GDT     I   155_A     I   155_A      3    7   23      0    3    4    5    7   12   16   18   22   26   29   39   43   53   60   63   69   72   77   82 
LCS_GDT     P   156_A     P   156_A      5    7   23      3    5    7    9   11   12   16   18   24   26   34   39   47   53   61   64   69   72   77   82 
LCS_GDT     F   157_A     F   157_A      5    7   23      3    5    6    7    7    9   13   18   22   26   33   36   45   53   61   64   69   72   77   82 
LCS_GDT     E   158_A     E   158_A      5    7   23      3    5    6    7    7    9   13   15   17   19   20   36   44   48   55   63   68   72   76   81 
LCS_GDT     V   159_A     V   159_A      5    7   23      3    4    6    7    7    9   13   15   19   38   42   47   48   52   55   58   62   68   73   79 
LCS_GDT     P   160_A     P   160_A      5    7   23      3    5    6    7    7    9   12   27   33   36   38   39   45   47   51   56   59   65   67   71 
LCS_GDT     L   161_A     L   161_A      5    7   23      3    5    6    6    7    9   11   14   15   18   20   24   28   32   34   36   41   55   60   62 
LCS_GDT     P   162_A     P   162_A      5    7   19      3    5    6    6    7    9   10   12   16   18   20   23   28   32   34   36   41   47   51   54 
LCS_GDT     A   163_A     A   163_A      5    7   19      3    5    6    6    7    9   10   12   15   18   20   23   25   28   29   35   41   47   51   54 
LCS_GDT     K   164_A     K   164_A      5    7   20      3    5    6    6    7    9   10   13   15   16   18   23   25   26   30   32   41   46   51   54 
LCS_GDT     Q   165_A     Q   165_A      5    7   20      3    4    6    6    7    9   11   13   15   16   20   23   25   26   30   35   41   47   51   54 
LCS_GDT     H   166_A     H   166_A      4    7   20      3    4    4    5    7    9   11   13   15   17   21   22   26   28   32   35   40   42   46   53 
LCS_GDT     V   167_A     V   167_A      4    8   20      3    4    4    6    8    9   12   14   15   17   19   23   28   32   34   36   40   42   46   49 
LCS_GDT     P   168_A     P   168_A      8    8   20      6    7    7    8    8    9   10   11   13   16   17   20   23   27   29   30   40   42   46   48 
LCS_GDT     E   169_A     E   169_A      8    8   20      6    7    7    8    8    8   11   13   14   16   17   21   23   27   29   35   40   42   46   48 
LCS_GDT     A   170_A     A   170_A      8    8   20      6    7    7    8    8    8   11   13   15   16   17   21   23   25   29   29   33   38   45   49 
LCS_GDT     E   171_A     E   171_A      8    8   20      6    7    7    8    8    9   12   14   15   18   20   23   28   32   34   36   40   42   46   49 
LCS_GDT     R   172_A     R   172_A      8    8   20      6    7    7    8    8    9   12   14   15   18   20   25   28   32   34   36   40   42   46   49 
LCS_GDT     E   173_A     E   173_A      8    8   20      6    7    7    8    8    9   12   14   15   18   20   25   28   32   34   36   40   42   46   49 
LCS_GDT     E   174_A     E   174_A      8    8   20      6    7    7    8    8    8   11   13   15   18   20   25   28   32   34   36   40   42   46   49 
LCS_GDT     V   175_A     V   175_A      8    8   20      3    3    6    8    8    8   10   11   14   18   20   25   27   32   33   35   40   42   46   49 
LCS_GDT     R   176_A     R   176_A      3    5   20      3    3    3    4    5    6    9   11   12   16   20   22   26   28   30   31   36   41   44   48 
LCS_GDT     D   177_A     D   177_A      9    9   20      7    8    8    9    9    9   10   12   15   18   20   25   26   28   30   34   36   42   45   49 
LCS_GDT     W   178_A     W   178_A      9    9   20      7    8    8    9    9    9   10   13   15   16   20   25   28   32   34   36   40   42   45   49 
LCS_GDT     V   179_A     V   179_A      9    9   20      7    8    8    9    9    9   11   13   15   16   17   23   26   28   30   31   33   36   41   48 
LCS_GDT     L   180_A     L   180_A      9    9   20      7    8    8    9    9    9    9   11   14   18   20   25   26   28   30   31   33   38   43   48 
LCS_GDT     T   181_A     T   181_A      9    9   20      7    8    8    9    9    9    9   11   14   18   20   25   26   28   30   31   33   36   40   46 
LCS_GDT     V   182_A     V   182_A      9    9   20      7    8    8    9    9    9    9   11   14   18   20   25   26   28   30   31   34   38   41   48 
LCS_GDT     S   183_A     S   183_A      9    9   20      7    8    8    9    9    9   12   15   18   19   20   25   26   30   31   32   36   38   43   46 
LCS_GDT     M   184_A     M   184_A      9    9   18      3    8    8    9    9   10   13   17   18   19   20   22   25   27   28   31   34   38   41   46 
LCS_GDT     D   185_A     D   185_A      9    9   18      3    4    6    9    9    9    9   12   15   18   18   21   22   26   28   30   33   36   41   46 
LCS_GDT     L   188_A     L   188_A      3    6   18      3    3    3    3    5   16   16   17   18   18   20   21   24   28   30   31   33   35   40   42 
LCS_GDT     E   189_A     E   189_A      3    6   18      3    4    4    5    7    9    9   11   14   18   20   25   26   28   30   31   34   35   40   42 
LCS_GDT     Q   190_A     Q   190_A      3    6   18      3    4    5    5    6    8    9   12   14   18   20   25   26   28   30   31   34   36   41   43 
LCS_GDT     V   191_A     V   191_A      3    4   18      3    4    4    4    6   10   10   13   14   18   20   25   26   28   30   31   34   39   41   43 
LCS_GDT     L   192_A     L   192_A      3    4   18      3    3    4    4    6   10   10   13   14   18   20   25   26   28   30   32   34   42   45   50 
LCS_GDT     P   193_A     P   193_A      4    5   18      3    4    5    6    6    7    9   13   15   18   20   22   24   26   29   32   35   42   48   51 
LCS_GDT     R   194_A     R   194_A      4    5   18      3    4    4    6    7    8   10   13   16   18   20   25   26   28   30   33   37   43   49   51 
LCS_GDT     D   195_A     D   195_A      4    5   18      3    4    4    5    7   10   12   13   16   22   24   29   29   30   32   36   38   43   50   55 
LCS_GDT     E   196_A     E   196_A      4    5   18      3    4    4    8    8    8   14   14   19   22   24   29   29   30   32   36   38   43   50   55 
LCS_GDT     R   197_A     R   197_A      4    5   18      3    3    4    7    7   10   14   14   19   22   24   29   29   30   32   36   38   43   50   55 
LCS_GDT     G   198_A     G   198_A      3    5   18      3    3    4    5    7   10   12   13   16   22   24   29   29   30   32   36   38   43   50   55 
LCS_GDT     A   199_A     A   199_A      4    5   18      3    4    4    7    7    8   10   11   13   16   20   25   26   31   36   41   46   48   50   55 
LCS_GDT     Y   200_A     Y   200_A      4    5   18      3    3    4    5    7    8   10   11   13   16   20   25   26   42   46   54   57   63   67   73 
LCS_GDT     E   201_A     E   201_A      4    5   18      3    3    4    8    8    8   10   11   13   19   25   29   36   42   56   63   69   72   77   82 
LCS_GDT     A   202_A     A   202_A      4    4   18      3    3    4    4    5    6   13   17   22   23   27   34   39   52   61   64   69   72   77   82 
LCS_GDT     S   203_A     S   203_A      4    4   18      3    3    4    8    8    8    9   18   30   32   41   46   49   54   61   64   69   72   77   82 
LCS_GDT     L   204_A     L   204_A      4    4   18      3    6   13   19   26   30   36   36   40   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     V   205_A     V   205_A      4    4   18      3    3    5    6    7   10   16   27   32   35   36   40   45   51   54   57   62   65   70   74 
LCS_GDT     A   206_A     A   206_A      5    5   18      4    4    5    8    8    8    9   12   15   20   24   29   29   42   46   48   49   61   66   73 
LCS_GDT     A   207_A     A   207_A      5    5   18      4    4    5    8    8    8    9   12   15   28   32   38   40   42   46   53   61   65   70   74 
LCS_GDT     S   208_A     S   208_A      5    5   18      4    4    5    8    8    8    9   10   12   15   18   23   40   42   46   48   49   55   58   63 
LCS_GDT     T   209_A     T   209_A      5    5   18      4    4    5    8    8    8    9   10   12   15   24   29   29   30   46   48   49   52   54   58 
LCS_GDT     G   210_A     G   210_A      5    5   18      3    3    5    8    8   10   16   27   29   32   35   38   40   46   52   57   62   65   70   73 
LCS_GDT     V   211_A     V   211_A      3    5   18      3    3    4   10   18   25   29   32   39   40   45   47   49   52   55   58   62   65   70   74 
LCS_GDT     R   212_A     R   212_A      3    5   18      3    3    4    4    7    8   23   29   36   40   43   47   49   51   54   57   62   65   70   74 
LCS_GDT     A   213_A     A   213_A      3    5   18      3    3    4    5    8   10   23   29   36   40   43   47   49   52   54   57   62   65   70   74 
LCS_GDT     L   214_A     L   214_A      3    4   18      3    3    5    6    8   11   18   26   33   38   43   47   49   52   54   57   62   65   70   74 
LCS_GDT     P   215_A     P   215_A      3    7   18      3    3    5    6   14   26   31   36   38   40   45   47   49   52   55   58   62   68   71   79 
LCS_GDT     C   216_A     C   216_A      6   11   18      4    5    6   10   14   22   29   35   37   38   42   47   49   52   55   58   62   65   70   75 
LCS_GDT     L   217_A     L   217_A      6   11   18      4    4    7    8   11   12   13   16   16   18   20   23   26   41   46   53   59   65   70   74 
LCS_GDT     I   218_A     I   218_A      6   11   18      4    5    7    8   14   14   23   28   31   33   37   39   44   47   51   56   62   65   70   74 
LCS_GDT     T   219_A     T   219_A      6   11   18      4    5    7    8   11   13   15   16   17   19   21   23   27   32   33   48   50   55   57   60 
LCS_GDT     G   220_A     G   220_A      6   11   18      4    5    7    8   11   12   13   16   16   17   19   22   25   32   33   35   40   54   56   60 
LCS_GDT     Y   221_A     Y   221_A      6   11   18      4    5    7    8   11   12   13   16   17   19   21   23   27   32   44   48   51   55   59   62 
LCS_GDT     P   222_A     P   222_A      6   11   18      4    4    7    8   11   12   13   16   16   19   34   38   41   41   47   49   54   58   63   67 
LCS_GDT     I   223_A     I   223_A      5   11   18      4    4    7    8   11   16   24   29   34   37   40   45   48   52   54   58   62   65   70   74 
LCS_GDT     L   224_A     L   224_A      3   11   18      3    3    4    6   11   13   18   21   36   38   43   47   48   52   55   58   63   68   70   79 
LCS_GDT     R   225_A     R   225_A      3   11   18      3    3    6    8   11   12   13   16   16   33   34   39   43   45   55   58   67   72   77   82 
LCS_GDT     N   226_A     N   226_A      3   11   18      3    3    4    6   11   12   13   19   28   31   34   40   45   54   61   64   69   72   77   82 
LCS_GDT     K   227_A     K   227_A      3    6   18      3    6   10   14   18   25   27   28   33   36   41   43   49   54   61   64   69   72   77   82 
LCS_GDT     I   228_A     I   228_A      3    7   18      3    3    4    7    7    8   10   25   35   41   42   45   49   53   60   64   69   72   77   82 
LCS_GDT     E   229_A     E   229_A      3    7   19      3    3    4    5    7    8    9   13   17   18   22   25   29   53   56   60   67   70   77   82 
LCS_GDT     F   230_A     F   230_A      3    7   20      3    3    4    7    7    8   10   15   17   19   22   24   29   31   34   37   45   51   72   73 
LCS_GDT     K   231_A     K   231_A      4    7   20      3    3    4    7    7    9   10   13   17   19   20   22   24   28   34   36   41   51   62   66 
LCS_GDT     R   232_A     R   232_A      4    7   20      3    3    4    7    7    8   13   15   15   18   20   21   22   26   27   30   32   36   39   43 
LCS_GDT     P   233_A     P   233_A      4    7   20      3    3    4    5    7    9   10   15   15   17   19   20   25   26   29   31   36   38   49   56 
LCS_GDT     G   234_A     G   234_A      4    7   20      3    3    4    5    7    7   10   11   13   16   18   21   23   25   26   27   30   35   38   41 
LCS_GDT     K   235_A     K   235_A      5    6   20      3    4    5    5    6    7   10   13   13   15   18   21   23   25   26   27   29   31   33   37 
LCS_GDT     A   236_A     A   236_A      5    6   22      3    4    5    5    6    8   10   13   13   16   18   19   21   22   25   27   29   31   32   37 
LCS_GDT     A   237_A     A   237_A      5    6   22      3    4    5    5    6    8   10   13   13   16   18   19   21   22   25   27   29   31   32   39 
LCS_GDT     N   238_A     N   238_A      5    6   22      3    4    5    5    6    8   10   13   13   15   18   19   21   22   24   27   29   30   32   34 
LCS_GDT     K   239_A     K   239_A      5    6   22      3    4    5    5    6    8   10   13   13   16   18   19   21   25   34   40   47   55   62   66 
LCS_GDT     D   240_A     D   240_A      4    7   22      3    4    4    7    7    8   10   13   13   15   18   43   49   53   61   64   69   72   77   82 
LCS_GDT     N   241_A     N   241_A      4    7   22      3    4    4    7    7    8    8    9   13   15   17   19   22   29   33   37   58   67   74   82 
LCS_GDT     W   242_A     W   242_A      5    7   22      3    5    5    7    7    8   10   13   16   18   22   44   48   53   56   60   67   70   77   82 
LCS_GDT     N   243_A     N   243_A      5    7   22      4    5    5    7    7    8    9   13   18   19   22   25   48   53   56   60   67   70   77   82 
LCS_GDT     K   244_A     K   244_A      5    7   22      4    5    5    7    7    7    8   11   16   18   22   24   29   35   40   56   58   64   66   67 
LCS_GDT     F   245_A     F   245_A      5    7   22      4    5    5    7    7    7   10   13   17   18   22   25   29   34   45   56   58   64   66   68 
LCS_GDT     L   246_A     L   246_A      5    8   22      4    5    6    7    7    8   10   14   24   28   32   39   43   45   53   56   58   64   72   73 
LCS_GDT     M   247_A     M   247_A      4    8   22      2    3    6    7    7    8   13   17   24   28   32   39   43   49   53   56   59   65   72   73 
LCS_GDT     A   248_A     A   248_A      6    8   22      2    5    6    7    7   10   13   17   24   28   32   42   45   49   55   60   62   70   76   81 
LCS_GDT     I   249_A     I   249_A      6    8   24      3    5    6    7    7    8   11   14   24   28   32   39   43   45   53   56   58   64   72   73 
LCS_GDT     K   250_A     K   250_A      6    8   24      3    5    6    6    7   10   13   28   32   35   40   43   48   53   56   60   67   70   77   81 
LCS_GDT     T   251_A     T   251_A      6    8   24      3    5    6    7    8    9   11   32   34   38   41   44   48   53   56   60   67   70   77   82 
LCS_GDT     S   252_A     S   252_A      6    8   24      3    5    6    6    7   11   13   15   17   19   32   39   43   49   53   56   59   65   72   78 
LCS_GDT     H   253_A     H   253_A      6   15   24      3    4    6    6    7    8   14   17   24   28   32   39   43   49   53   56   59   65   72   73 
LCS_GDT     S   254_A     S   254_A     13   15   24      7   12   12   13   14   14   15   17   32   35   40   42   48   53   56   58   67   70   77   82 
LCS_GDT     P   255_A     P   255_A     13   15   24      7   12   12   13   14   14   15   17   24   28   40   42   45   53   56   60   67   70   77   82 
LCS_GDT     V   256_A     V   256_A     13   15   24      7   12   12   13   14   14   15   17   24   28   40   42   45   53   56   60   67   70   77   82 
LCS_GDT     C   257_A     C   257_A     13   15   24      7   12   12   13   14   14   15   15   17   39   42   44   49   53   60   64   69   72   77   82 
LCS_GDT     Q   258_A     Q   258_A     13   15   24      7   12   12   13   14   25   30   34   35   41   42   47   49   53   61   64   69   72   77   82 
LCS_GDT     D   259_A     D   259_A     13   15   24      7   12   12   13   14   17   30   34   35   41   42   47   49   53   61   64   69   72   77   82 
LCS_GDT     V   260_A     V   260_A     13   15   24      7   12   12   13   14   18   26   34   36   41   44   47   49   54   61   64   69   72   77   82 
LCS_GDT     L   261_A     L   261_A     13   15   24      7   12   12   13   20   26   32   36   39   41   44   47   49   54   61   64   69   72   77   82 
LCS_GDT     K   262_A     K   262_A     13   15   24      6   12   12   13   14   18   22   26   29   40   43   47   49   54   61   64   69   72   77   82 
LCS_GDT     F   263_A     F   263_A     13   15   24      5   12   12   13   17   20   25   30   34   40   44   47   49   54   61   64   69   72   77   82 
LCS_GDT     I   264_A     I   264_A     13   15   24      7   12   12   15   17   19   25   26   29   42   45   47   49   54   61   64   69   72   77   82 
LCS_GDT     S   265_A     S   265_A     13   15   24      5   12   12   13   16   17   21   25   29   30   32   33   44   48   56   63   68   72   77   82 
LCS_GDT     Q   266_A     Q   266_A     13   15   24      3    4    9   13   14   14   16   18   20   24   28   30   36   42   50   62   63   72   77   82 
LCS_GDT     W   267_A     W   267_A      3   15   24      3    7   12   13   14   14   15   15   17   19   25   28   31   37   40   48   61   63   70   79 
LCS_GDT     C   268_A     C   268_A      3    6   24      3    3    5    6    6    8   10   12   15   17   19   22   27   32   39   41   48   54   58   68 
LCS_GDT     G   269_A     G   269_A      4    6   24      3    4    5    6    7    8   10   12   16   20   22   25   27   32   39   41   45   47   58   65 
LCS_GDT     G   270_A     G   270_A      4    6   24      3    4    5    6    7    8   12   17   18   20   22   25   29   33   39   41   45   50   58   68 
LCS_GDT     L   271_A     L   271_A      4    6   24      3    4    5    6    6    8   14   17   23   28   30   34   37   40   42   43   45   50   61   68 
LCS_GDT     P   272_A     P   272_A      4    6   24      2    4    5    6    8   12   16   25   29   32   36   37   39   41   42   44   52   57   61   68 
LCS_AVERAGE  LCS_A:   6.72  (   3.69    5.07   11.41 )

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     19     22     23     24     26     30     36     36     40     42     45     47     49     54     61     64     69     72     77     82 
GDT PERCENT_AT   7.04   8.15   8.52   8.89   9.63  11.11  13.33  13.33  14.81  15.56  16.67  17.41  18.15  20.00  22.59  23.70  25.56  26.67  28.52  30.37
GDT RMS_LOCAL    0.29   0.46   0.53   0.89   1.12   1.89   2.26   2.26   2.71   2.85   3.23   3.35   3.54   4.27   5.01   5.17   5.63   5.92   6.40   6.63
GDT RMS_ALL_AT  25.95  25.91  25.84  25.01  24.82  24.32  24.44  24.44  24.23  24.20  24.42  24.26  24.26  23.91  23.71  23.75  23.56  23.50  23.24  23.33

# Checking swapping
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  F    15_A      F    15_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  E    45_A      E    45_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:  F   107_A      F   107_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  E   138_A      E   138_A
#   possible swapping detected:  D   143_A      D   143_A
#   possible swapping detected:  D   146_A      D   146_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  F   150_A      F   150_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  F   157_A      F   157_A
#   possible swapping detected:  E   158_A      E   158_A
#   possible swapping detected:  E   169_A      E   169_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   196_A      E   196_A
#   possible swapping detected:  Y   200_A      Y   200_A
#   possible swapping detected:  Y   221_A      Y   221_A
#   possible swapping detected:  E   229_A      E   229_A
#   possible swapping detected:  D   240_A      D   240_A
#   possible swapping detected:  F   245_A      F   245_A
#   possible swapping detected:  D   259_A      D   259_A
#   possible swapping detected:  F   263_A      F   263_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    41.244     0    0.338   0.447    43.022    0.000    0.000
LGA    P     2_A      P     2_A    42.808     0    0.633   0.766    42.808    0.000    0.000
LGA    A     3_A      A     3_A    40.031     0    0.580   0.566    41.024    0.000    0.000
LGA    N     4_A      N     4_A    35.349     0    0.332   0.844    37.589    0.000    0.000
LGA    P     5_A      P     5_A    38.025     0    0.135   0.194    39.686    0.000    0.000
LGA    Q     6_A      Q     6_A    32.194     0    0.216   0.631    33.917    0.000    0.000
LGA    N     7_A      N     7_A    28.195     0    0.304   0.326    29.961    0.000    0.000
LGA    F     8_A      F     8_A    28.076     0    0.062   1.247    33.702    0.000    0.000
LGA    N     9_A      N     9_A    27.143     0    0.031   1.287    32.240    0.000    0.000
LGA    I    10_A      I    10_A    23.973     0    0.052   0.627    25.329    0.000    0.000
LGA    Y    11_A      Y    11_A    22.172     0    0.042   0.434    25.119    0.000    0.000
LGA    K    12_A      K    12_A    22.835     0    0.065   0.155    28.612    0.000    0.000
LGA    R    13_A      R    13_A    20.816     0    0.030   1.181    21.916    0.000    0.000
LGA    I    14_A      I    14_A    17.436     0    0.589   1.286    18.942    0.000    0.000
LGA    F    15_A      F    15_A    15.051     0    0.440   1.278    15.787    0.000    0.000
LGA    T    16_A      T    16_A    16.958     0    0.059   0.110    20.394    0.000    0.000
LGA    D    17_A      D    17_A    14.350     0    0.016   1.155    15.612    0.000    0.000
LGA    M    18_A      M    18_A    10.024     0    0.062   1.139    11.986    2.143    4.286
LGA    V    19_A      V    19_A    11.465     0    0.043   0.090    14.645    0.000    0.000
LGA    S    20_A      S    20_A    11.986     0    0.326   0.825    15.219    0.000    0.000
LGA    S    21_A      S    21_A     7.253     0    0.584   0.587     8.682   16.310   15.397
LGA    P    22_A      P    22_A     3.449     0    0.109   0.658     5.848   40.714   35.374
LGA    G    23_A      G    23_A     3.374     0    0.369   0.369     5.878   36.905   36.905
LGA    T    24_A      T    24_A     7.891     0    0.377   0.969    11.843    7.262    4.150
LGA    N    25_A      N    25_A     8.420     0    0.183   1.243    11.450    7.381    3.988
LGA    C    26_A      C    26_A     3.000     0    0.649   1.064     5.221   53.452   60.000
LGA    A    27_A      A    27_A     2.407     0    0.079   0.071     3.020   64.881   61.905
LGA    E    28_A      E    28_A     2.825     0    0.149   1.752    10.553   59.048   34.286
LGA    A    29_A      A    29_A     1.098     0    0.218   0.231     1.635   79.286   79.714
LGA    Y    30_A      Y    30_A     2.423     0    0.067   0.123     6.251   68.810   43.016
LGA    H    31_A      H    31_A     2.361     0    0.073   1.180     3.005   66.786   62.619
LGA    S    32_A      S    32_A     1.068     0    0.027   0.023     1.621   85.952   83.016
LGA    W    33_A      W    33_A     0.785     0    0.052   1.300     6.057   90.595   54.694
LGA    A    34_A      A    34_A     1.949     0    0.037   0.046     2.691   75.000   71.429
LGA    D    35_A      D    35_A     1.917     0    0.050   0.168     3.920   77.143   62.798
LGA    L    36_A      L    36_A     1.045     0    0.051   1.411     5.951   88.214   65.536
LGA    R    37_A      R    37_A     1.299     0    0.069   1.167     9.468   83.690   45.628
LGA    D    38_A      D    38_A     1.699     0    0.025   0.149     3.232   79.286   67.381
LGA    V    39_A      V    39_A     1.480     0    0.020   1.171     4.329   81.429   72.721
LGA    L    40_A      L    40_A     1.272     0    0.018   1.418     4.384   83.690   76.012
LGA    F    41_A      F    41_A     0.991     0    0.036   0.872     5.326   92.857   61.645
LGA    N    42_A      N    42_A     1.067     0    0.032   1.367     6.324   83.690   61.667
LGA    L    43_A      L    43_A     1.920     0    0.028   1.440     6.650   75.000   53.810
LGA    C    44_A      C    44_A     1.782     0    0.057   0.066     2.919   75.000   70.317
LGA    E    45_A      E    45_A     0.728     0    0.071   0.606     3.455   92.857   74.974
LGA    N    46_A      N    46_A     1.101     0    0.061   0.090     2.609   83.690   75.298
LGA    L    47_A      L    47_A     2.072     0    0.067   1.427     4.529   70.833   66.845
LGA    V    48_A      V    48_A     1.583     0    0.070   1.257     3.378   77.143   72.041
LGA    K    49_A      K    49_A     0.717     0    0.063   0.107     1.830   90.476   84.550
LGA    S    50_A      S    50_A     1.321     0    0.197   0.216     1.864   79.286   77.143
LGA    S    51_A      S    51_A     1.801     0    0.222   0.712     4.509   69.048   58.492
LGA    E    52_A      E    52_A     6.250     0    0.135   1.090    12.169   20.595    9.683
LGA    A    53_A      A    53_A     4.405     0    0.330   0.426     5.627   31.786   35.429
LGA    N    54_A      N    54_A     5.283     0    0.285   1.054     6.352   25.476   23.631
LGA    S    55_A      S    55_A     8.480     0    0.626   0.749    11.409    9.643    6.429
LGA    P    56_A      P    56_A     6.816     0    0.047   0.539     8.390   13.810   10.272
LGA    A    57_A      A    57_A     6.947     0    0.044   0.049     8.027   16.667   14.286
LGA    H    58_A      H    58_A     5.922     0    0.068   1.031     8.063   26.786   17.619
LGA    E    59_A      E    59_A     3.258     0    0.052   0.786     4.316   50.357   47.937
LGA    E    60_A      E    60_A     3.223     0    0.045   0.866     5.775   53.571   40.794
LGA    F    61_A      F    61_A     3.273     0    0.046   1.303     9.517   55.476   27.403
LGA    K    62_A      K    62_A     3.496     0    0.048   0.258     7.502   50.119   33.492
LGA    T    63_A      T    63_A     3.459     0    0.037   0.039     4.964   45.476   42.857
LGA    M    64_A      M    64_A     3.265     0    0.043   1.124     5.105   50.119   46.250
LGA    L    65_A      L    65_A     3.260     0    0.045   1.418     5.248   41.190   42.321
LGA    L    66_A      L    66_A     6.235     0    0.041   1.399     7.901   17.262   17.619
LGA    I    67_A      I    67_A     7.294     0    0.017   0.164     8.403   10.476    9.583
LGA    A    68_A      A    68_A     6.199     0    0.052   0.063     7.922   12.857   16.571
LGA    H    69_A      H    69_A     8.266     0    0.037   0.830    11.513    4.048    2.762
LGA    Y    70_A      Y    70_A    10.778     0    0.050   0.102    12.603    0.119    0.357
LGA    Y    71_A      Y    71_A    11.172     0    0.049   1.137    12.736    0.000    0.000
LGA    A    72_A      A    72_A    11.123     0    0.020   0.030    13.464    0.000    0.000
LGA    T    73_A      T    73_A    14.314     0    0.066   0.167    16.261    0.000    0.000
LGA    R    74_A      R    74_A    16.011     0    0.062   0.925    17.983    0.000    0.000
LGA    S    75_A      S    75_A    16.326     0    0.623   0.961    16.982    0.000    0.000
LGA    A    76_A      A    76_A    17.972     0    0.348   0.381    19.690    0.000    0.000
LGA    A    77_A      A    77_A    19.240     0    0.386   0.408    22.295    0.000    0.000
LGA    Q    78_A      Q    78_A    19.537     0    0.606   0.722    21.654    0.000    0.000
LGA    S    79_A      S    79_A    22.795     0    0.256   0.563    24.898    0.000    0.000
LGA    V    80_A      V    80_A    28.065     0    0.591   1.332    29.454    0.000    0.000
LGA    K    81_A      K    81_A    27.353     0    0.032   0.963    29.267    0.000    0.000
LGA    Q    82_A      Q    82_A    30.795     0    0.178   1.398    32.107    0.000    0.000
LGA    L    83_A      L    83_A    30.412     0    0.237   0.413    33.557    0.000    0.000
LGA    E    84_A      E    84_A    27.872     0    0.046   1.471    28.853    0.000    0.000
LGA    T    85_A      T    85_A    27.539     0    0.022   1.147    30.484    0.000    0.000
LGA    V    86_A      V    86_A    28.133     0    0.087   0.088    29.645    0.000    0.000
LGA    A    87_A      A    87_A    26.873     0    0.059   0.064    27.343    0.000    0.000
LGA    A    88_A      A    88_A    25.491     0    0.028   0.026    26.087    0.000    0.000
LGA    R    89_A      R    89_A    26.360     0    0.039   1.451    34.469    0.000    0.000
LGA    L    90_A      L    90_A    26.257     0    0.042   0.197    27.909    0.000    0.000
LGA    S    91_A      S    91_A    24.661     0    0.044   0.617    25.381    0.000    0.000
LGA    V    92_A      V    92_A    24.287     0    0.087   0.983    25.506    0.000    0.000
LGA    S    93_A      S    93_A    24.777     0    0.053   0.156    25.956    0.000    0.000
LGA    L    94_A      L    94_A    23.906     0    0.134   0.339    24.921    0.000    0.000
LGA    L    95_A      L    95_A    21.943     0    0.088   0.118    22.739    0.000    0.000
LGA    R    96_A      R    96_A    20.144     0    0.148   1.086    23.099    0.000    0.000
LGA    H    97_A      H    97_A    21.319     0    0.048   0.145    22.671    0.000    0.000
LGA    T    98_A      T    98_A    23.684     0    0.422   0.906    26.441    0.000    0.000
LGA    Q    99_A      Q    99_A    21.527     0    0.679   0.707    22.813    0.000    0.000
LGA    L   100_A      L   100_A    20.758     0    0.653   1.300    21.334    0.000    0.000
LGA    L   101_A      L   101_A    24.477     0    0.146   0.238    29.643    0.000    0.000
LGA    P   102_A      P   102_A    24.336     0    0.413   0.648    26.827    0.000    0.000
LGA    V   103_A      V   103_A    28.571     0    0.457   1.247    32.122    0.000    0.000
LGA    D   104_A      D   104_A    34.832     0    0.101   1.076    36.241    0.000    0.000
LGA    K   105_A      K   105_A    31.989     0    0.627   1.206    33.003    0.000    0.000
LGA    A   106_A      A   106_A    28.560     0    0.084   0.088    29.929    0.000    0.000
LGA    F   107_A      F   107_A    32.044     0    0.076   0.216    34.313    0.000    0.000
LGA    Y   108_A      Y   108_A    35.924     0    0.632   1.392    37.583    0.000    0.000
LGA    E   109_A      E   109_A    33.847     0    0.067   1.024    35.005    0.000    0.000
LGA    A   110_A      A   110_A    32.061     0    0.085   0.092    33.847    0.000    0.000
LGA    G   111_A      G   111_A    37.474     0    0.298   0.298    38.075    0.000    0.000
LGA    I   112_A      I   112_A    35.147     0    0.094   0.643    35.751    0.000    0.000
LGA    A   113_A      A   113_A    31.139     0    0.035   0.034    33.620    0.000    0.000
LGA    A   114_A      A   114_A    37.318     0    0.084   0.080    39.732    0.000    0.000
LGA    K   115_A      K   115_A    41.086     0    0.136   0.920    46.542    0.000    0.000
LGA    A   116_A      A   116_A    36.647     0    0.115   0.127    38.367    0.000    0.000
LGA    V   117_A      V   117_A    39.775     0    0.258   1.185    43.318    0.000    0.000
LGA    G   118_A      G   118_A    45.989     0    0.732   0.732    48.213    0.000    0.000
LGA    W   119_A      W   119_A    48.603     0    0.536   1.036    51.016    0.000    0.000
LGA    D   120_A      D   120_A    48.365     0    0.450   0.388    51.626    0.000    0.000
LGA    N   121_A      N   121_A    46.867     0    0.073   1.234    48.812    0.000    0.000
LGA    M   122_A      M   122_A    43.590     0    0.034   0.839    45.956    0.000    0.000
LGA    A   123_A      A   123_A    42.216     0    0.043   0.048    43.758    0.000    0.000
LGA    F   124_A      F   124_A    40.922     0    0.026   0.893    42.524    0.000    0.000
LGA    I   125_A      I   125_A    37.952     0    0.065   0.702    40.383    0.000    0.000
LGA    F   126_A      F   126_A    34.994     0    0.018   1.245    37.400    0.000    0.000
LGA    L   127_A      L   127_A    33.397     0    0.064   1.419    34.654    0.000    0.000
LGA    N   128_A      N   128_A    32.104     0    0.075   1.000    33.776    0.000    0.000
LGA    R   129_A      R   129_A    28.926     0    0.048   1.332    31.371    0.000    0.000
LGA    F   130_A      F   130_A    26.111     0    0.023   0.364    27.527    0.000    0.000
LGA    L   131_A      L   131_A    24.685     0    0.059   0.111    29.159    0.000    0.000
LGA    D   132_A      D   132_A    23.982     0    0.049   0.960    28.357    0.000    0.000
LGA    L   133_A      L   133_A    19.819     0    0.137   0.192    22.553    0.000    0.000
LGA    T   134_A      T   134_A    17.909     0    0.041   0.053    20.403    0.000    0.000
LGA    D   135_A      D   135_A    17.903     0    0.034   1.160    21.002    0.000    0.000
LGA    A   136_A      A   136_A    17.187     0    0.046   0.047    18.094    0.000    0.000
LGA    I   137_A      I   137_A    14.082     0    0.057   0.135    15.905    0.000    0.000
LGA    E   138_A      E   138_A    13.715     0    0.025   1.108    14.304    0.000    0.000
LGA    E   139_A      E   139_A    15.966     0    0.087   1.157    20.630    0.000    0.000
LGA    G   140_A      G   140_A    14.848     0    0.571   0.571    15.118    0.000    0.000
LGA    T   141_A      T   141_A    11.890     0    0.103   0.159    13.532    0.000    0.000
LGA    L   142_A      L   142_A    10.096     0    0.146   1.318    12.035    0.119    1.548
LGA    D   143_A      D   143_A    11.356     0    0.220   0.590    14.918    0.000    2.143
LGA    G   144_A      G   144_A    17.194     0    0.136   0.136    19.998    0.000    0.000
LGA    L   145_A      L   145_A    17.876     0    0.594   1.388    19.195    0.000    0.000
LGA    D   146_A      D   146_A    19.272     0    0.632   0.932    21.824    0.000    0.000
LGA    H   147_A      H   147_A    16.162     0    0.615   1.084    17.977    0.000    0.000
LGA    S   148_A      S   148_A    21.971     0    0.618   0.803    26.211    0.000    0.000
LGA    D   149_A      D   149_A    25.030     0    0.607   1.254    25.670    0.000    0.000
LGA    F   150_A      F   150_A    24.700     0    0.442   1.453    31.548    0.000    0.000
LGA    Q   151_A      Q   151_A    24.524     0    0.464   1.226    27.056    0.000    0.000
LGA    D   152_A      D   152_A    21.063     0    0.075   0.927    25.237    0.000    0.000
LGA    T   153_A      T   153_A    18.022     0    0.545   1.415    19.896    0.000    0.000
LGA    D   154_A      D   154_A    12.631     0    0.518   1.181    14.479    0.000    0.000
LGA    I   155_A      I   155_A    14.611     0    0.233   0.761    17.358    0.000    0.000
LGA    P   156_A      P   156_A    13.293     0    0.162   0.609    15.429    0.000    0.000
LGA    F   157_A      F   157_A    12.380     0    0.065   1.604    12.804    0.000    0.000
LGA    E   158_A      E   158_A     8.941     0    0.596   1.278    10.183    3.929    2.646
LGA    V   159_A      V   159_A    11.180     0    0.076   0.139    15.288    0.000    0.408
LGA    P   160_A      P   160_A    17.154     0    0.122   0.593    19.220    0.000    0.000
LGA    L   161_A      L   161_A    22.481     0    0.064   1.370    26.459    0.000    0.000
LGA    P   162_A      P   162_A    26.579     0    0.156   0.462    29.212    0.000    0.000
LGA    A   163_A      A   163_A    33.348     0    0.706   0.645    35.276    0.000    0.000
LGA    K   164_A      K   164_A    36.006     0    0.492   1.129    42.488    0.000    0.000
LGA    Q   165_A      Q   165_A    34.222     0    0.336   0.689    39.043    0.000    0.000
LGA    H   166_A      H   166_A    33.387     0    0.097   1.137    36.265    0.000    0.000
LGA    V   167_A      V   167_A    36.103     0    0.626   0.543    40.560    0.000    0.000
LGA    P   168_A      P   168_A    43.240     0    0.579   0.912    45.151    0.000    0.000
LGA    E   169_A      E   169_A    46.514     0    0.059   1.105    52.474    0.000    0.000
LGA    A   170_A      A   170_A    46.904     0    0.024   0.032    47.452    0.000    0.000
LGA    E   171_A      E   171_A    44.978     0    0.048   1.279    46.556    0.000    0.000
LGA    R   172_A      R   172_A    47.607     0    0.031   1.017    49.682    0.000    0.000
LGA    E   173_A      E   173_A    50.733     0    0.061   0.998    52.089    0.000    0.000
LGA    E   174_A      E   174_A    49.496     0    0.603   0.703    50.269    0.000    0.000
LGA    V   175_A      V   175_A    49.602     0    0.602   0.565    50.501    0.000    0.000
LGA    R   176_A      R   176_A    53.125     0    0.546   1.413    57.115    0.000    0.000
LGA    D   177_A      D   177_A    56.854     0    0.594   0.524    61.142    0.000    0.000
LGA    W   178_A      W   178_A    53.871     0    0.047   1.634    55.113    0.000    0.000
LGA    V   179_A      V   179_A    52.227     0    0.013   0.150    52.984    0.000    0.000
LGA    L   180_A      L   180_A    52.946     0    0.038   0.058    55.578    0.000    0.000
LGA    T   181_A      T   181_A    51.930     0    0.045   0.209    54.043    0.000    0.000
LGA    V   182_A      V   182_A    49.802     0    0.055   0.103    50.631    0.000    0.000
LGA    S   183_A      S   183_A    49.112     0    0.165   0.652    52.375    0.000    0.000
LGA    M   184_A      M   184_A    49.019     0    0.139   1.311    51.878    0.000    0.000
LGA    D   185_A      D   185_A    47.480     0    0.173   1.388    48.761    0.000    0.000
LGA    L   188_A      L   188_A    37.530     0    0.629   0.501    40.337    0.000    0.000
LGA    E   189_A      E   189_A    38.018     0    0.602   0.917    42.237    0.000    0.000
LGA    Q   190_A      Q   190_A    35.199     0    0.503   1.257    40.537    0.000    0.000
LGA    V   191_A      V   191_A    29.138     0    0.617   0.783    31.264    0.000    0.000
LGA    L   192_A      L   192_A    26.074     0    0.680   0.663    27.655    0.000    0.000
LGA    P   193_A      P   193_A    28.279     0    0.632   0.600    28.685    0.000    0.000
LGA    R   194_A      R   194_A    25.529     0    0.070   0.905    32.894    0.000    0.000
LGA    D   195_A      D   195_A    22.157     0    0.071   0.161    22.967    0.000    0.000
LGA    E   196_A      E   196_A    21.182     0    0.128   1.168    21.344    0.000    0.000
LGA    R   197_A      R   197_A    19.903     0    0.198   1.477    20.338    0.000    0.000
LGA    G   198_A      G   198_A    20.517     0    0.099   0.099    20.773    0.000    0.000
LGA    A   199_A      A   199_A    15.603     0    0.665   0.613    17.348    0.000    0.000
LGA    Y   200_A      Y   200_A    10.113     0    0.151   1.361    12.173    0.476    3.929
LGA    E   201_A      E   201_A     9.639     0    0.667   1.095    12.876    2.976    1.323
LGA    A   202_A      A   202_A     9.442     0    0.230   0.240    11.092    3.452    2.762
LGA    S   203_A      S   203_A     7.335     0    0.591   0.714     8.077   14.524   15.238
LGA    L   204_A      L   204_A     2.554     0    0.095   0.181     5.782   38.690   39.167
LGA    V   205_A      V   205_A     9.972     0    0.617   0.988    13.437    2.619    1.497
LGA    A   206_A      A   206_A    12.297     0    0.613   0.581    14.215    0.000    0.000
LGA    A   207_A      A   207_A    13.838     0    0.010   0.009    16.693    0.000    0.000
LGA    S   208_A      S   208_A    17.133     0    0.397   0.522    20.227    0.000    0.000
LGA    T   209_A      T   209_A    18.490     0    0.197   0.249    20.220    0.000    0.000
LGA    G   210_A      G   210_A    15.693     0    0.685   0.685    16.586    0.000    0.000
LGA    V   211_A      V   211_A    12.539     0    0.070   1.045    13.363    0.000    0.680
LGA    R   212_A      R   212_A    15.686     0    0.267   1.066    21.693    0.000    0.000
LGA    A   213_A      A   213_A    14.632     0    0.626   0.626    15.599    0.000    0.000
LGA    L   214_A      L   214_A    11.849     0    0.681   1.487    12.352    0.000    0.000
LGA    P   215_A      P   215_A    10.401     0    0.614   0.826    12.537    0.357    0.204
LGA    C   216_A      C   216_A    11.055     0    0.440   0.743    14.458    0.000    0.000
LGA    L   217_A      L   217_A    11.896     0    0.166   1.341    14.355    0.000    0.000
LGA    I   218_A      I   218_A    12.312     0    0.066   1.078    16.708    0.000    0.417
LGA    T   219_A      T   219_A    18.601     0    0.122   0.165    22.391    0.000    0.000
LGA    G   220_A      G   220_A    19.870     0    0.136   0.136    21.288    0.000    0.000
LGA    Y   221_A      Y   221_A    20.691     0    0.029   1.429    30.968    0.000    0.000
LGA    P   222_A      P   222_A    19.636     0    0.335   0.609    23.313    0.000    0.000
LGA    I   223_A      I   223_A    12.658     0    0.045   1.293    14.964    0.000    0.119
LGA    L   224_A      L   224_A    11.157     0    0.188   0.208    16.906    1.548    0.774
LGA    R   225_A      R   225_A     9.738     0    0.533   1.279    19.870    0.595    0.216
LGA    N   226_A      N   226_A     8.527     0    0.430   0.824    11.164    2.738    1.726
LGA    K   227_A      K   227_A     7.921     0    0.581   0.539     9.864    4.405   11.217
LGA    I   228_A      I   228_A    11.216     0    0.105   1.187    15.006    0.357    0.179
LGA    E   229_A      E   229_A    13.468     0    0.478   0.416    16.402    0.000    0.000
LGA    F   230_A      F   230_A    15.783     0    0.419   1.202    17.387    0.000    0.000
LGA    K   231_A      K   231_A    18.045     0    0.040   0.404    23.884    0.000    0.000
LGA    R   232_A      R   232_A    21.754     0    0.053   0.993    30.843    0.000    0.000
LGA    P   233_A      P   233_A    18.875     0    0.386   0.381    22.475    0.000    0.000
LGA    G   234_A      G   234_A    19.178     0    0.376   0.376    22.336    0.000    0.000
LGA    K   235_A      K   235_A    23.657     0    0.144   1.019    28.067    0.000    0.000
LGA    A   236_A      A   236_A    22.025     0    0.155   0.195    23.651    0.000    0.000
LGA    A   237_A      A   237_A    20.474     0    0.154   0.199    20.677    0.000    0.000
LGA    N   238_A      N   238_A    17.782     0    0.697   1.230    19.395    0.000    0.000
LGA    K   239_A      K   239_A    15.965     0    0.633   1.274    20.333    0.000    0.000
LGA    D   240_A      D   240_A    12.191     0    0.602   0.583    15.828    0.000    2.679
LGA    N   241_A      N   241_A    14.974     0    0.103   1.115    18.048    0.000    0.000
LGA    W   242_A      W   242_A    15.309     0    0.079   1.566    19.406    0.000    0.000
LGA    N   243_A      N   243_A    20.007     0    0.369   0.854    22.816    0.000    0.000
LGA    K   244_A      K   244_A    23.682     0    0.091   0.932    28.444    0.000    0.000
LGA    F   245_A      F   245_A    22.836     0    0.075   1.414    25.341    0.000    0.000
LGA    L   246_A      L   246_A    23.528     0    0.602   0.575    26.598    0.000    0.000
LGA    M   247_A      M   247_A    24.450     0    0.603   1.469    30.087    0.000    0.000
LGA    A   248_A      A   248_A    22.139     0    0.355   0.345    22.876    0.000    0.000
LGA    I   249_A      I   249_A    23.418     0    0.044   0.998    26.160    0.000    0.000
LGA    K   250_A      K   250_A    22.379     0    0.054   0.949    25.178    0.000    0.000
LGA    T   251_A      T   251_A    20.386     0    0.073   1.058    21.451    0.000    0.000
LGA    S   252_A      S   252_A    21.768     0    0.123   0.735    22.098    0.000    0.000
LGA    H   253_A      H   253_A    21.981     0    0.346   1.052    24.793    0.000    0.000
LGA    S   254_A      S   254_A    18.053     0    0.587   0.785    19.353    0.000    0.000
LGA    P   255_A      P   255_A    18.509     0    0.059   0.610    22.085    0.000    0.000
LGA    V   256_A      V   256_A    15.761     0    0.040   1.160    18.201    0.000    0.000
LGA    C   257_A      C   257_A    11.891     0    0.034   0.845    13.673    0.357    0.238
LGA    Q   258_A      Q   258_A    11.504     0    0.051   0.960    16.357    0.000    0.000
LGA    D   259_A      D   259_A    11.321     0    0.035   0.886    15.013    1.548    0.774
LGA    V   260_A      V   260_A     6.952     0    0.042   0.071     8.714   17.262   14.150
LGA    L   261_A      L   261_A     5.467     0    0.093   1.364     6.526   19.405   17.857
LGA    K   262_A      K   262_A     9.070     0    0.071   1.244    16.964    3.690    1.640
LGA    F   263_A      F   263_A     6.560     0    0.042   1.424     8.231   11.905   12.684
LGA    I   264_A      I   264_A     6.310     0    0.034   0.112     9.384   11.190   18.393
LGA    S   265_A      S   265_A    10.082     0    0.575   0.545    13.599    1.190    0.794
LGA    Q   266_A      Q   266_A    11.973     0    0.481   1.188    17.400    0.000    0.000
LGA    W   267_A      W   267_A    12.997     0    0.539   1.537    17.405    0.000    0.034
LGA    C   268_A      C   268_A    16.767     0    0.597   0.873    18.672    0.000    0.000
LGA    G   269_A      G   269_A    21.201     0    0.241   0.241    24.097    0.000    0.000
LGA    G   270_A      G   270_A    21.544     0    0.055   0.055    21.544    0.000    0.000
LGA    L   271_A      L   271_A    21.421     0    0.613   0.792    24.714    0.000    0.000
LGA    P   272_A      P   272_A    19.774     0    0.075   0.554    20.905    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):    22.105         22.039                 22.552           10.433    8.883

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  272  270    4.0     36    2.26    13.519    11.304     1.524

LGA_LOCAL      RMSD:   2.262  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.442  Number of assigned atoms:  270 
Std_ASGN_ATOMS RMSD:  22.105  Standard rmsd on all 270 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.735111 * X  +  -0.659550 * Y  +  -0.156863 * Z  +  25.643373
  Y_new =   0.675309 * X  +   0.732771 * Y  +   0.083688 * Z  + -58.792946
  Z_new =   0.059748 * X  +  -0.167451 * Y  +   0.984068 * Z  + -11.752730 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.743024 -0.059784 -0.168547   [DEG:   42.5721   -3.4254   -9.6570 ]
ZXZ: -2.060890  0.178741  2.798862   [DEG: -118.0803   10.2411  160.3630 ]
 
# END of job
