
#######################################################
#                                                     #
#                        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  275 ( 2293),  selected  275 , name one
# Molecule2: number of CA atoms  300 ( 2476),  selected  275 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97     161_B - 257_B       5.00    51.28
  LCS_AVERAGE:     18.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49     209_B - 257_B       1.80    49.60
  LCS_AVERAGE:      5.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27     211_B - 237_B       0.92    48.54
  LONGEST_CONTINUOUS_SEGMENT:    27     212_B - 238_B       0.98    48.37
  LCS_AVERAGE:      2.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  275
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     N     4_A     N     4_B      4   16   20      0    1    4   15   15   16   16   16   17   19   23   26   30   31   34   35   37   38   40   42 
LCS_GDT     S     5_A     S     5_B     14   16   20      3    9   14   15   15   16   16   16   17   21   25   26   30   32   34   35   37   38   40   42 
LCS_GDT     V     6_A     V     6_B     14   16   20      7   12   14   15   15   16   16   16   17   22   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     N     7_A     N     7_B     14   16   20      8   12   14   15   15   16   16   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     I     8_A     I     8_B     14   16   20      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     E     9_A     E     9_B     14   16   20      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     T    10_A     T    10_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     F    11_A     F    11_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     K    12_A     K    12_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     D    13_A     D    13_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     M    14_A     M    14_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     L    15_A     L    15_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     K    16_A     K    16_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     R    17_A     R    17_B     14   16   23      8   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     Y    18_A     Y    18_B     14   16   23      0   12   14   15   15   16   17   18   20   23   25   28   30   32   34   35   37   38   40   42 
LCS_GDT     E    19_A     E    19_B      3   16   23      0    3    4    4    7   14   16   17   20   23   25   28   30   32   34   35   39   42   44   56 
LCS_GDT     D    20_A     D    20_B      3    4   23      0    3    3    4    7    9   12   15   17   23   25   26   28   31   34   36   40   44   51   56 
LCS_GDT     F    21_A     F    21_B      3    3   23      3    3    3    4    5    9   12   15   17   18   20   23   25   28   30   31   36   44   51   56 
LCS_GDT     K    22_A     K    22_B      3    3   23      3    3    3    3    6    9   12   15   17   18   20   23   25   28   30   36   40   44   51   56 
LCS_GDT     M    23_A     M    23_B      4   10   23      3    4    4    7    8    9   10   12   17   18   20   23   25   28   30   31   33   36   41   56 
LCS_GDT     K    24_A     K    24_B      4   10   23      3    4    4    7    8    9   10   12   15   18   18   21   25   28   30   31   32   36   41   44 
LCS_GDT     N    25_A     N    25_B      4   10   23      3    4    5    7    8    9   10   13   15   18   20   23   25   28   30   31   32   36   41   44 
LCS_GDT     K    26_A     K    26_B      4   10   23      3    5    5    7    8    9   11   15   17   18   20   23   25   28   30   31   32   36   41   44 
LCS_GDT     R    27_A     R    27_B      4   10   23      3    5    5    7    8    9   12   15   17   18   20   23   25   28   30   30   31   32   41   44 
LCS_GDT     E    28_A     E    28_B      4   10   23      3    5    5    7    8    9   12   15   17   18   20   23   25   28   30   30   31   32   32   36 
LCS_GDT     P    29_A     P    29_B      6   10   23      4    6    6    7    8    9   11   15   17   18   20   23   25   28   30   30   31   32   32   32 
LCS_GDT     R    30_A     R    30_B      6   10   23      4    6    6    7    8    9   12   15   17   18   20   23   25   28   30   30   31   32   32   32 
LCS_GDT     V    31_A     V    31_B      6   10   23      4    6    6    7    8    9   12   15   17   18   20   23   25   28   30   30   31   32   32   32 
LCS_GDT     I    32_A     I    32_B      6   10   23      4    6    6    7    8    9   12   15   17   18   20   23   25   28   30   30   31   32   32   34 
LCS_GDT     F    33_A     F    33_B      6    8   19      4    6    6    7    8    9   10   13   15   17   20   23   25   28   30   30   32   36   38   40 
LCS_GDT     I    34_A     I    34_B      6    8   22      4    6    6    7    8    8   10   11   13   15   17   22   25   28   30   31   33   36   38   40 
LCS_GDT     R    35_A     R    35_B      4    8   22      3    4    5    7    8   11   11   15   17   18   19   22   25   28   30   31   33   36   38   40 
LCS_GDT     S    36_A     S    36_B      5    7   22      4    5    5    7    7    8    9   14   16   18   20   23   25   28   30   30   32   33   37   40 
LCS_GDT     G    37_A     G    37_B      5    7   22      4    5    5    6    6    9   10   12   15   17   18   22   25   28   30   30   31   32   32   34 
LCS_GDT     G    38_A     G    38_B      5    7   22      4    5    5    6    6    9   10   12   15   17   18   19   21   24   26   28   31   32   32   34 
LCS_GDT     G    39_A     G    39_B      5    7   22      4    5    5    6    6    7    9   12   12   17   18   19   20   20   21   23   24   27   30   34 
LCS_GDT     E    40_A     E    40_B      5   15   30      3    5    5    6    8   12   14   15   16   18   19   22   24   26   29   31   35   36   38   40 
LCS_GDT     S    41_A     S    41_B      5   15   30      3    4    5    6    8   13   14   15   17   20   20   23   26   27   29   31   35   36   38   42 
LCS_GDT     I    42_A     I    42_B     11   15   30      3    7   11   11   13   13   15   16   18   24   24   25   26   27   29   31   35   36   39   48 
LCS_GDT     P    43_A     P    43_B     11   15   30      8   10   11   11   13   13   15   16   19   24   24   25   26   27   29   31   35   36   40   43 
LCS_GDT     L    44_A     L    44_B     11   15   30      8   10   11   11   13   13   15   16   19   24   24   25   26   27   29   31   35   42   48   52 
LCS_GDT     E    45_A     E    45_B     11   15   30      8   10   11   11   13   13   15   16   19   24   24   25   26   27   29   32   37   45   50   57 
LCS_GDT     T    46_A     T    46_B     11   15   30      8   10   11   11   13   13   15   16   19   24   24   25   31   33   38   43   46   49   54   61 
LCS_GDT     F    47_A     F    47_B     11   15   30      8   10   11   11   13   13   15   16   19   24   24   30   35   40   44   50   55   57   59   63 
LCS_GDT     R    48_A     R    48_B     11   15   30      8   10   11   11   13   13   15   16   19   24   24   27   36   38   44   50   55   57   59   63 
LCS_GDT     D    49_A     D    49_B     11   15   31      8   10   11   11   13   13   15   16   19   24   27   31   36   40   46   50   55   57   59   63 
LCS_GDT     M    50_A     M    50_B     11   15   31      5   10   11   11   13   15   19   23   26   30   32   35   39   42   46   50   55   57   59   63 
LCS_GDT     V    51_A     V    51_B     11   15   31      8   10   11   11   13   15   19   23   26   30   32   35   38   42   46   50   55   57   59   63 
LCS_GDT     R    52_A     R    52_B     11   15   31      4   10   11   11   13   13   15   16   17   24   25   29   33   39   42   45   50   53   58   62 
LCS_GDT     R    53_A     R    53_B      6   15   31      3    3    5   10   13   13   15   15   18   22   25   26   28   33   36   39   41   53   56   59 
LCS_GDT     Y    54_A     Y    54_B      4   15   31      3    3    4   10   13   13   15   15   17   20   25   26   26   27   29   31   35   46   52   53 
LCS_GDT     N    55_A     N    55_B      3   14   31      3    3    5   10   11   12   16   20   22   24   25   26   26   38   43   46   49   58   59   61 
LCS_GDT     N    56_A     N    56_B      6    6   31      4    6    7    9   11   14   17   20   22   24   25   26   26   27   29   31   35   36   41   45 
LCS_GDT     F    57_A     F    57_B      6    6   31      4    6    6    9   11   11   17   19   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     K    58_A     K    58_B      6    6   31      4    6    6    6    8   14   17   20   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     D    59_A     D    59_B      6    7   31      4    6    6    7   10   14   17   20   22   24   25   26   26   27   29   31   35   36   41   44 
LCS_GDT     R    60_A     R    60_B      6    7   31      4    6    6    7   10   14   17   20   22   24   25   26   26   27   29   31   35   36   41   43 
LCS_GDT     Y    61_A     Y    61_B      6    7   31      4    6    7    9   11   14   17   20   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     G    62_A     G    62_B      3    7   31      3    3    3    6    7   10   14   20   22   23   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     R    63_A     R    63_B      4    7   31      3    4    7    9   11   14   17   20   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     E    64_A     E    64_B      4    9   31      3    4    5    9   11   14   17   20   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     P    65_A     P    65_B      4    9   31      3    4    6    7    9   14   17   20   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     R    66_A     R    66_B      4    9   31      3    4    5    9   12   13   16   20   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     I    67_A     I    67_B      4    9   31      3    4    7    9   12   14   17   20   22   24   25   26   26   27   29   31   33   36   38   39 
LCS_GDT     V    68_A     V    68_B      3    9   31      3    4    7    9   12   13   15   19   22   24   25   26   26   27   29   31   35   36   38   40 
LCS_GDT     Y    69_A     Y    69_B      4    9   31      3    4    7    9   11   14   17   20   22   23   25   26   26   27   29   31   35   36   41   44 
LCS_GDT     V    70_A     V    70_B      4    9   31      3    4    7    9   11   14   17   20   22   23   25   26   26   27   29   31   32   36   58   63 
LCS_GDT     T    71_A     T    71_B      4    9   31      3    4    7    9   11   14   17   20   22   23   25   26   37   40   42   45   53   57   59   63 
LCS_GDT     P    72_A     P    72_B      4    9   31      3    4    6    8   11   14   17   20   22   23   25   26   26   27   29   31   33   36   48   58 
LCS_GDT     P    73_A     P    73_B      4    9   39      3    4    5    7    8   12   17   20   22   23   26   32   34   35   38   39   40   42   43   46 
LCS_GDT     E    74_A     E    74_B      6    9   39      4    5    6    7   11   14   17   20   22   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     P    75_A     P    75_B      6    7   39      4    5    6    7    9   14   17   20   22   24   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     P    76_A     P    76_B      6    7   39      4    5    6    7    9   14   16   20   22   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     V    77_A     V    77_B      6    7   39      4    5    6    6    9   14   16   20   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     P    78_A     P    78_B      6    7   39      3    5    6    6    9   12   15   20   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     E    79_A     E    79_B      6    7   39      3    4    6    6    7   12   15   20   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     V    80_A     V    80_B      5    7   39      3    5    5    7   11   13   15   20   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     N    81_A     N    81_B      5    5   39      3    5    5    7   11   13   15   20   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     E    82_A     E    82_B      5    5   39      3    5    5    6    9   10   15   20   22   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     N    83_A     N    83_B      5    5   39      3    5    5    5    6    7   11   16   20   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     T    84_A     T    84_B      5    5   39      1    5    5    5    6    7   10   12   19   24   30   32   35   37   38   39   40   42   43   45 
LCS_GDT     P    85_A     P    85_B      4    5   39      0    3    4    5    9   10   11   20   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     E    86_A     E    86_B      4    5   39      2    3    4    5    7   12   15   20   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     Y    87_A     Y    87_B      4    5   39      3    3    4    5    6    7   12   17   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     V    88_A     V    88_B      4    5   39      3    3    4    6    9   10   11   18   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     S    89_A     S    89_B      4    5   39      3    3    4    5    9   10   11   18   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     I    90_A     I    90_B      4    5   39      3    3    5    7    8   10   11   16   23   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     T    91_A     T    91_B      4    5   39      3    3    4    5    6   13   14   16   20   25   30   33   35   37   38   39   40   42   45   50 
LCS_GDT     Q    92_A     Q    92_B      4    4   39      3    4    4    6    8   12   13   18   20   27   30   33   35   37   38   39   40   42   43   45 
LCS_GDT     F    93_A     F    93_B      4    4   39      1    4    4    4    4    9   13   18   21   23   27   31   35   37   38   39   40   42   43   45 
LCS_GDT     K    94_A     K    94_B      3    4   39      0    4    4    5    6    7   15   20   23   27   30   33   35   37   38   39   40   42   45   52 
LCS_GDT     D    95_A     D    95_B      3    3   39      3    3    4    5    8   13   15   20   23   27   30   33   35   37   38   39   46   49   56   61 
LCS_GDT     M    96_A     M    96_B      3   14   39      3    3    4    9   11   14   16   20   23   27   30   33   35   37   38   39   40   45   51   57 
LCS_GDT     L    97_A     L    97_B     12   14   39      8   11   13   13   14   14   16   18   21   23   27   31   35   37   38   39   40   45   50   57 
LCS_GDT     S    98_A     S    98_B     12   14   39      9   11   13   13   14   14   16   18   21   27   30   33   35   37   38   39   46   49   56   61 
LCS_GDT     R    99_A     R    99_B     12   14   39      9   11   13   13   14   14   16   17   19   22   27   31   35   37   38   39   40   42   43   45 
LCS_GDT     Y   100_A     Y   100_B     12   14   39      9   11   13   13   14   14   16   18   23   27   30   33   35   37   38   39   40   45   51   57 
LCS_GDT     N   101_A     N   101_B     12   14   39      9   11   13   13   14   14   16   20   23   27   30   33   35   37   38   46   55   57   59   63 
LCS_GDT     R   102_A     R   102_B     12   14   39      9   11   13   13   14   14   16   20   23   27   30   33   37   40   42   47   55   57   59   63 
LCS_GDT     F   103_A     F   103_B     12   14   39      9   11   13   13   14   14   16   20   23   27   30   33   35   37   38   40   43   53   58   63 
LCS_GDT     K   104_A     K   104_B     12   14   39      9   11   13   13   14   14   16   20   23   27   30   33   37   40   46   50   55   57   59   63 
LCS_GDT     E   105_A     E   105_B     12   14   39      9   11   13   13   14   14   17   20   23   28   32   34   37   41   46   50   55   57   59   63 
LCS_GDT     V   106_A     V   106_B     12   14   39      9   11   13   13   14   14   16   20   22   27   30   33   37   40   46   50   55   57   59   63 
LCS_GDT     N   107_A     N   107_B     12   14   39      4   11   13   13   14   14   17   20   23   27   30   33   37   40   46   50   55   57   59   63 
LCS_GDT     G   108_A     G   108_B     12   14   39      4    6   13   13   14   14   17   20   23   28   32   34   37   41   46   50   55   57   59   63 
LCS_GDT     R   109_A     R   109_B      5   14   39      3    6    8   13   14   14   16   20   23   27   30   33   37   40   46   50   55   57   59   63 
LCS_GDT     E   110_A     E   110_B      6   14   39      3    6    6    7   11   14   17   20   22   27   30   33   35   40   42   49   55   57   59   63 
LCS_GDT     P   111_A     P   111_B      6    8   39      4    6    6    7    8   13   17   18   20   23   25   28   31   33   38   40   52   54   59   63 
LCS_GDT     R   112_A     R   112_B      6    8   28      4    6    6    7    8   13   17   18   20   23   25   28   30   32   34   35   37   43   48   51 
LCS_GDT     V   113_A     V   113_B      6    8   25      4    6    6    7    8   13   17   18   20   23   25   28   30   32   34   35   37   39   46   50 
LCS_GDT     V   114_A     V   114_B      6    8   25      4    6    6    7    8   13   17   18   20   23   25   28   30   32   34   36   40   45   49   56 
LCS_GDT     F   115_A     F   115_B      6    8   25      3    6    6    6    8   13   17   18   20   23   25   28   30   32   34   35   37   38   40   43 
LCS_GDT     I   116_A     I   116_B      4    8   25      3    5    5    7    8   10   12   13   20   23   25   27   29   32   34   35   37   40   47   54 
LCS_GDT     Y   117_A     Y   117_B      4    8   24      3    3    5    6    7    9   11   16   20   23   25   27   29   32   33   35   37   38   40   50 
LCS_GDT     S   118_A     S   118_B      3    8   23      3    3    4    4    7    8   12   16   20   23   25   28   30   32   34   35   37   38   40   43 
LCS_GDT     G   119_A     G   119_B      3    8   22      3    3    3    5    8   10   10   11   16   21   25   28   30   32   34   35   37   38   40   43 
LCS_GDT     G   120_A     G   120_B      6    8   22      3    4    6   15   15   16   16   16   17   19   23   26   30   32   34   35   37   38   40   43 
LCS_GDT     G   121_A     G   121_B      6    8   22      3    4    6    7    8   10   11   13   15   17   20   24   26   27   31   35   37   37   40   43 
LCS_GDT     P   122_A     P   122_B      6    8   22      3    4    6    7    8   10   11   13   15   17   20   24   26   27   29   30   31   35   40   43 
LCS_GDT     S   123_A     S   123_B      6    8   15      3    4    6    7    8   10   10   11   12   16   18   19   20   21   22   27   31   33   33   36 
LCS_GDT     V   124_A     V   124_B      6    8   15      3    4    6    7    8   10   10   11   12   16   18   19   20   21   22   23   26   27   33   34 
LCS_GDT     S   125_A     S   125_B      6    8   15      3    4    6    7    8   10   10   11   12   16   18   19   20   21   22   23   26   27   28   30 
LCS_GDT     L   126_A     L   126_B      4    8   15      3    4    4    7    7    8    9   10   12   12   14   19   20   21   22   23   26   27   28   28 
LCS_GDT     E   127_A     E   127_B      4    8   15      3    3    4    6    8   10   10   11   12   16   18   19   20   21   22   23   26   27   28   28 
LCS_GDT     T   128_A     T   128_B      4    8   15      3    3    4    5    8   10   10   11   12   14   18   19   20   21   22   23   26   27   28   30 
LCS_GDT     F   129_A     F   129_B      4    8   15      1    3    4    6    8   10   10   11   12   16   18   19   20   21   22   23   26   27   28   30 
LCS_GDT     K   130_A     K   130_B      3    3   15      0    3    4    6    6    6    6    8   12   16   18   19   20   21   22   23   26   27   28   30 
LCS_GDT     D   131_A     D   131_B      3    3   14      0    3    4    6    6    6    6    9    9   11   11   13   14   15   19   24   26   32   35   37 
LCS_GDT     M   132_A     M   132_B      3    3   12      1    3    4    6    6    6    9   10   11   14   17   21   25   31   33   36   39   42   43   45 
LCS_GDT     C   133_A     C   133_B      3    3   12      1    3    3    4    4    6    9   10   13   17   18   19   27   31   33   39   40   42   43   45 
LCS_GDT     K   134_A     K   134_B      3    3   12      2   10   13   13   14   14   15   15   16   17   20   21   28   31   32   39   40   42   43   45 
LCS_GDT     R   135_A     R   135_B      3    3   12      0    3    4    5    5    5    6    7   13   14   17   19   22   27   29   36   39   41   43   45 
LCS_GDT     Y   136_A     Y   136_B      3    3   11      0    3    4    5    6    6   11   12   14   18   23   27   31   36   38   39   39   40   42   45 
LCS_GDT     N   137_A     N   137_B      3    3   11      0    3    3    5    5    5   11   11   13   15   15   17   20   27   29   31   32   37   43   54 
LCS_GDT     Q   138_A     Q   138_B      3    4   12      3    3    3    5    6    6   11   12   13   15   15   16   17   26   29   29   36   46   54   64 
LCS_GDT     F   139_A     F   139_B      3    4   12      3    3    3    4    4    5    6   10   10   12   14   15   18   20   21   47   57   71   82   92 
LCS_GDT     L   140_A     L   140_B      3    4   12      3    3    3    4    4    9   15   19   23   32   45   50   58   66   75   81   88   97  103  107 
LCS_GDT     E   141_A     E   141_B      3    4   14      3    4    7    9   10   12   16   18   23   27   40   47   54   63   67   79   84   94  102  107 
LCS_GDT     E   142_A     E   142_B      3    5   14      3    3    5   10   11   13   19   30   38   47   55   61   70   76   83   88   95   99  107  109 
LCS_GDT     N   143_A     N   143_B      4    5   16      3    4    6    9   19   22   28   35   43   47   55   65   71   76   84   88   95   99  107  109 
LCS_GDT     R   144_A     R   144_B      4    5   16      3    3    4    4    7    8    8   16   19   28   49   56   65   74   80   85   91   96  103  109 
LCS_GDT     R   145_A     R   145_B      4    5   16      3    3    4    4    4    6   12   16   43   47   58   60   67   74   83   88   94   99  107  109 
LCS_GDT     E   146_A     E   146_B      4    5   16      3    5    5    5    5    6    9   10   13   21   25   49   56   70   75   85   87   93   97  104 
LCS_GDT     P   147_A     P   147_B      4    4   16      3    5    5    5    5    7    8   10   19   22   34   43   58   67   75   81   87   92   95  102 
LCS_GDT     R   148_A     R   148_B      4    4   23      3    5    5    5    5    7    9   15   19   22   25   30   32   57   60   78   86   90   93   98 
LCS_GDT     I   149_A     I   149_B      4    4   23      3    3    4    4    7    9   17   21   41   47   58   66   71   74   83   88   94   99  107  109 
LCS_GDT     V   150_A     V   150_B      4    7   23      3    3    4    6    6    8   10   23   25   37   43   56   65   74   78   85   91   97  103  109 
LCS_GDT     Y   151_A     Y   151_B      4    7   23      3    4    5    5    6    8   16   23   25   46   55   59   67   74   83   88   94   99  107  109 
LCS_GDT     V   152_A     V   152_B      4    7   23      3    4    5    6    6   12   16   28   42   49   58   63   71   76   84   88   95   99  107  109 
LCS_GDT     T   153_A     T   153_B      4    7   23      3    4    6   12   19   22   28   40   48   60   67   72   79   85   89   93   97  103  107  109 
LCS_GDT     P   154_A     P   154_B      4    7   23      3    4    5    6   12   25   37   54   62   69   76   80   85   94   97   98  102  105  107  109 
LCS_GDT     P   155_A     P   155_B      4    7   23      3    4    5    7   10   14   21   32   64   75   79   88   94   98  100  103  104  105  107  109 
LCS_GDT     E   156_A     E   156_B      4    7   23      3    4    4   10   13   14   20   55   64   77   82   91   95   99  102  103  104  106  108  110 
LCS_GDT     P   157_A     P   157_B      3    5   23      3    4    4   13   17   33   46   55   80   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     P   158_A     P   158_B      9   11   23      3    4    7   17   32   46   65   75   78   84   89   91   95   99  102  103  104  107  108  110 
LCS_GDT     V   159_A     V   159_B      9   11   23      3    8    9   15   23   39   49   66   74   82   87   91   95   99  102  103  104  107  108  110 
LCS_GDT     P   160_A     P   160_B      9   11   23      5    8    9   12   18   56   68   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     E   161_A     E   161_B      9   11   97      6   14   36   48   58   66   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     E   162_A     E   162_B      9   11   97      6    8   11   24   43   58   67   75   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   163_A     V   163_B      9   11   97      6    8    9   27   58   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   164_A     R   164_B      9   11   97      6   19   43   50   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     E   165_A     E   165_B      9   11   97      6   19   40   48   54   62   70   77   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     M   166_A     M   166_B      9   11   97      6   22   43   48   60   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   167_A     R   167_B      9   11   97      1    3    9   12   46   58   65   74   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   168_A     R   168_B      3   11   97      3    3    4    7   10   12   17   27   35   44   56   63   90   92   98  103  104  105  107  109 
LCS_GDT     V   169_A     V   169_B      4    5   97      3    3    6    8   11   15   19   24   27   40   46   55   65   70   75   85   93   98  101  107 
LCS_GDT     L   170_A     L   170_B      4    5   97      3    3    4    5    7   15   19   27   35   44   50   59   65   70   75   85   93   98  101  107 
LCS_GDT     G   171_A     G   171_B      4    5   97      3    3    4    5    7    9   11   14   27   34   39   52   60   69   75   80   85   89   95  101 
LCS_GDT     E   172_A     E   172_B      4    5   97      3    3    4    5    5    9   10   16   19   21   39   49   58   70   75   85   87   93  102  109 
LCS_GDT     F   173_A     F   173_B      4    5   97      3    3    4    5    5    6   10   13   17   37   46   51   60   74   84   89   99  105  107  109 
LCS_GDT     K   174_A     K   174_B      3   14   97      3    3    4   16   23   30   34   39   50   62   75   83   90   92   98  103  104  106  107  109 
LCS_GDT     T   175_A     T   175_B     13   18   97      8   13   30   48   62   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     A   176_A     A   176_B     13   18   97      8   17   35   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     T   177_A     T   177_B     13   18   97      8   14   25   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Q   178_A     Q   178_B     13   18   97      8   16   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     L   179_A     L   179_B     13   18   97      8   22   41   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   180_A     Y   180_B     13   18   97      8   16   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     T   181_A     T   181_B     13   18   97      8   16   28   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     L   182_A     L   182_B     13   18   97      8   16   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   183_A     V   183_B     13   18   97      7   18   33   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     S   184_A     S   184_B     13   18   97      8   13   18   36   59   67   73   78   81   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   185_A     R   185_B     13   18   97      6   14   25   49   62   68   74   78   81   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   186_A     R   186_B     13   18   97      7   17   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     C   187_A     C   187_B     13   18   97      4   14   34   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   188_A     K   188_B     12   18   97      3   12   23   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   189_A     Y   189_B      7   18   97      3   13   31   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   190_A     K   190_B      6   18   97      4   17   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     F   191_A     F   191_B      6   18   97      3    4   12   38   54   67   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   192_A     Y   192_B      3   18   97      3    3    8   16   31   51   65   75   82   85   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   193_A     Y   193_B      3   18   97      3    9   27   42   54   59   66   75   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     N   194_A     N   194_B      3    7   97      3    3    4    5   19   25   32   51   61   82   88   92   96   99  102  103  104  107  108  110 
LCS_GDT     D   195_A     D   195_B      5    7   97      3    4    5   11   20   25   36   44   59   82   88   92   96   99  102  103  104  107  108  110 
LCS_GDT     Q   196_A     Q   196_B      5    7   97      4    4    5    8   23   28   39   67   75   83   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     T   197_A     T   197_B      5    7   97      4    4    9   17   25   33   55   63   80   84   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     P   198_A     P   198_B      5    7   97      4    6   10   16   22   62   70   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     N   199_A     N   199_B      6    7   97      4    4    6   16   23   28   40   59   71   84   88   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   200_A     R   200_B      6    7   97      3    5    7   16   23   28   55   65   80   84   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     E   201_A     E   201_B      6    7   97      4    5    6    8   15   24   47   74   80   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     A   202_A     A   202_B      6    6   97      4    5    6   42   54   63   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     L   203_A     L   203_B      6    6   97      4   22   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   204_A     K   204_B      6    6   97      4   18   33   49   62   68   74   78   81   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   205_A     K   205_B      4    5   97      3    3    5    5   19   29   44   55   63   73   77   83   90   95  100  102  104  107  108  110 
LCS_GDT     M   206_A     M   206_B      4    5   97      3    3    5    5    5    6    6    7   12   15   18   27   43   59   69   93  100  103  105  110 
LCS_GDT     V   207_A     V   207_B      4    7   97      3    3    5    7    8   11   13   19   25   34   44   55   67   82   91   97  101  104  108  110 
LCS_GDT     T   208_A     T   208_B      4   48   97      3    4    9   19   24   49   60   71   73   79   88   91   95   99  101  103  104  107  108  110 
LCS_GDT     D   209_A     D   209_B      4   49   97      3    4    7   15   24   38   64   71   75   83   88   93   96   99  102  103  104  107  108  110 
LCS_GDT     G   210_A     G   210_B     22   49   97      5   20   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     I   211_A     I   211_B     27   49   97      6   31   42   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     N   212_A     N   212_B     27   49   97     11   31   42   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     C   213_A     C   213_B     27   49   97      8   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     T   214_A     T   214_B     27   49   97      7   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     D   215_A     D   215_B     27   49   97      6   30   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     A   216_A     A   216_B     27   49   97     10   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     C   217_A     C   217_B     27   49   97      6   28   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Q   218_A     Q   218_B     27   49   97      9   26   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     L   219_A     L   219_B     27   49   97     11   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     F   220_A     F   220_B     27   49   97     10   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   221_A     K   221_B     27   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     P   222_A     P   222_B     27   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   223_A     V   223_B     27   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     I   224_A     I   224_B     27   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     E   225_A     E   225_B     27   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     G   226_A     G   226_B     27   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     L   227_A     L   227_B     27   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     G   228_A     G   228_B     27   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   229_A     Y   229_B     27   49   97      5   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     S   230_A     S   230_B     27   49   97      8   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   231_A     V   231_B     27   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   232_A     R   232_B     27   49   97      7   28   43   50   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     I   233_A     I   233_B     27   49   97      7   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     E   234_A     E   234_B     27   49   97      7   30   43   54   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     H   235_A     H   235_B     27   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   236_A     V   236_B     27   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   237_A     K   237_B     27   49   97      9   28   42   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   238_A     V   238_B     27   49   97      5   15   37   49   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   239_A     R   239_B     19   49   97      3    7   18   41   56   67   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     C   240_A     C   240_B      6   49   97      3   20   43   48   59   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     N   241_A     N   241_B      6   49   97      3    6   34   47   56   68   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     D   242_A     D   242_B     13   49   97      3   20   40   48   56   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     N   243_A     N   243_B     13   49   97      3   21   43   48   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   244_A     K   244_B     13   49   97      5   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     W   245_A     W   245_B     13   49   97      5   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   246_A     Y   246_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     G   247_A     G   247_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     H   248_A     H   248_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   249_A     Y   249_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     F   250_A     F   250_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     L   251_A     L   251_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     R   252_A     R   252_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   253_A     V   253_B     13   49   97     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     A   254_A     A   254_B     13   49   97     13   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     G   255_A     G   255_B     11   49   97      7   17   32   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   256_A     K   256_B      3   49   97      3   23   37   46   55   67   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     E   257_A     E   257_B      3   49   97      3    3    4    5   39   55   62   69   79   86   89   93   96   99  102  103  104  107  108  110 
LCS_GDT     L   258_A     L   258_B      3    5   90      3    3    4    4    5    5    6    7   11   15   26   31   36   72   95   97  102  106  108  110 
LCS_GDT     A   259_A     A   259_B      3    5   90      3    3    4    4    5    6    7    8   11   15   18   31   36   43   47   70   88  100  105  109 
LCS_GDT     S   260_A     S   260_B      3    5   90      3    3    4    4    5    6    7    8   11   15   18   21   36   43   47   70   84   95  104  107 
LCS_GDT     V   261_A     V   261_B      3    5   90      3    3    4    4    5    6    7    8   11   13   18   20   36   46   65   74   88  100  104  109 
LCS_GDT     S   262_A     S   262_B      3    5   90      3    3    3    4    5   10   17   25   31   40   53   68   78   92   96   98  103  107  108  110 
LCS_GDT     L   263_A     L   263_B      3    5   90      3    3    3    4    5   10   17   25   31   43   57   68   80   92   96  101  103  107  108  110 
LCS_GDT     P   264_A     P   264_B      3    5   67      3    3    3    4    5    6    8   10   20   33   43   53   68   78   88   95   99  102  105  109 
LCS_GDT     S   265_A     S   265_B      3    5   67      3    3    3    4    5    6    8    9   11   16   30   43   57   78   88   95   99  102  106  109 
LCS_GDT     E   266_A     E   266_B      3    5   67      1    3    3    4    5    6    8   25   31   39   52   66   77   90   96   98  103  107  108  110 
LCS_GDT     R   267_A     R   267_B      3    5   67      3    3    3   14   18   45   63   75   80   86   89   93   96   99  102  103  104  107  108  110 
LCS_GDT     W   268_A     W   268_B      6    7   67      3   24   42   49   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     T   269_A     T   269_B      6    7   67     14   30   43   50   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   270_A     V   270_B      6    7   67     10   29   43   48   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     W   271_A     W   271_B      6    7   67      4   15   35   48   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     D   272_A     D   272_B      6    7   67      9   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     Y   273_A     Y   273_B      6    7   67     14   31   43   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     V   274_A     V   274_B      5    7   67      4   20   38   55   63   69   75   78   82   86   90   93   96   99  102  103  104  107  108  110 
LCS_GDT     S   275_A     S   275_B      3    4   67      3    3    4    7    8   18   59   67   72   79   88   93   96   99  102  103  104  107  108  110 
LCS_GDT     A   276_A     A   276_B      3    4   14      3    3    9   12   12   15   38   44   61   68   84   93   94   98  102  103  104  107  108  110 
LCS_GDT     T   277_A     T   277_B      3    4   14      3    4    8   12   16   25   38   69   75   81   88   93   96   99  102  103  104  107  108  110 
LCS_GDT     K   278_A     K   278_B      3    4   14      3    3    6    9   13   20   24   31   42   54   67   81   90   97  100  103  104  107  108  110 
LCS_AVERAGE  LCS_A:   8.92  (   2.98    5.54   18.23 )

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     14     31     43     55     63     69     75     78     82     86     90     93     96     99    102    103    104    107    108    110 
GDT PERCENT_AT   4.67  10.33  14.33  18.33  21.00  23.00  25.00  26.00  27.33  28.67  30.00  31.00  32.00  33.00  34.00  34.33  34.67  35.67  36.00  36.67
GDT RMS_LOCAL    8.46   0.65   0.93   1.36   1.54   1.74   1.96   2.05   2.34   2.49   2.70   2.89   3.07   3.29   3.47   3.56   3.65   4.16   4.22   4.45
GDT RMS_ALL_AT  46.98  48.19  47.03  51.84  51.03  50.76  50.16  50.75  49.05  49.59  49.87  50.23  50.39  49.40  49.63  49.98  50.14  51.22  50.99  51.27

# Checking swapping
#   possible swapping detected:  Y    18_A      Y    18_B
#   possible swapping detected:  E    19_A      E    19_B
#   possible swapping detected:  D    20_A      D    20_B
#   possible swapping detected:  F    21_A      F    21_B
#   possible swapping detected:  E    28_A      E    28_B
#   possible swapping detected:  F    33_A      F    33_B
#   possible swapping detected:  F    47_A      F    47_B
#   possible swapping detected:  D    59_A      D    59_B
#   possible swapping detected:  Y    61_A      Y    61_B
#   possible swapping detected:  Y    69_A      Y    69_B
#   possible swapping detected:  E    74_A      E    74_B
#   possible swapping detected:  E    82_A      E    82_B
#   possible swapping detected:  Y    87_A      Y    87_B
#   possible swapping detected:  F    93_A      F    93_B
#   possible swapping detected:  D    95_A      D    95_B
#   possible swapping detected:  Y   100_A      Y   100_B
#   possible swapping detected:  F   103_A      F   103_B
#   possible swapping detected:  E   105_A      E   105_B
#   possible swapping detected:  E   110_A      E   110_B
#   possible swapping detected:  F   115_A      F   115_B
#   possible swapping detected:  Y   117_A      Y   117_B
#   possible swapping detected:  E   127_A      E   127_B
#   possible swapping detected:  F   129_A      F   129_B
#   possible swapping detected:  D   131_A      D   131_B
#   possible swapping detected:  F   139_A      F   139_B
#   possible swapping detected:  E   142_A      E   142_B
#   possible swapping detected:  Y   151_A      Y   151_B
#   possible swapping detected:  F   173_A      F   173_B
#   possible swapping detected:  Y   180_A      Y   180_B
#   possible swapping detected:  Y   192_A      Y   192_B
#   possible swapping detected:  D   209_A      D   209_B
#   possible swapping detected:  D   215_A      D   215_B
#   possible swapping detected:  Y   229_A      Y   229_B
#   possible swapping detected:  E   234_A      E   234_B
#   possible swapping detected:  D   242_A      D   242_B
#   possible swapping detected:  Y   249_A      Y   249_B
#   possible swapping detected:  F   250_A      F   250_B
#   possible swapping detected:  E   266_A      E   266_B
#   possible swapping detected:  D   272_A      D   272_B
#   possible swapping detected:  Y   273_A      Y   273_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N     4_A      N     4_B    84.238     0    0.717   0.759    86.246    0.000    0.000
LGA    S     5_A      S     5_B    83.585     0    0.461   0.764    86.748    0.000    0.000
LGA    V     6_A      V     6_B    81.059     0    0.131   1.176    81.860    0.000    0.000
LGA    N     7_A      N     7_B    80.037     0    0.021   1.260    82.563    0.000    0.000
LGA    I     8_A      I     8_B    75.640     0    0.015   1.315    77.563    0.000    0.000
LGA    E     9_A      E     9_B    74.254     0    0.048   0.385    79.519    0.000    0.000
LGA    T    10_A      T    10_B    75.182     0    0.036   0.085    77.928    0.000    0.000
LGA    F    11_A      F    11_B    73.106     0    0.022   1.219    74.207    0.000    0.000
LGA    K    12_A      K    12_B    68.522     0    0.070   0.432    70.481    0.000    0.000
LGA    D    13_A      D    13_B    68.630     0    0.040   0.849    70.121    0.000    0.000
LGA    M    14_A      M    14_B    69.521     0    0.063   0.205    75.238    0.000    0.000
LGA    L    15_A      L    15_B    65.454     0    0.050   0.145    67.229    0.000    0.000
LGA    K    16_A      K    16_B    62.432     0    0.108   0.903    63.898    0.000    0.000
LGA    R    17_A      R    17_B    62.684     0    0.078   1.358    66.046    0.000    0.000
LGA    Y    18_A      Y    18_B    62.261     0    0.181   1.392    62.877    0.000    0.000
LGA    E    19_A      E    19_B    63.210     0    0.598   1.287    64.054    0.000    0.000
LGA    D    20_A      D    20_B    67.354     0    0.548   1.265    70.948    0.000    0.000
LGA    F    21_A      F    21_B    71.318     0    0.595   1.293    72.004    0.000    0.000
LGA    K    22_A      K    22_B    70.824     0    0.567   0.630    71.715    0.000    0.000
LGA    M    23_A      M    23_B    72.553     0    0.586   1.188    74.389    0.000    0.000
LGA    K    24_A      K    24_B    78.462     0    0.586   1.064    81.781    0.000    0.000
LGA    N    25_A      N    25_B    81.454     0    0.131   0.821    86.959    0.000    0.000
LGA    K    26_A      K    26_B    76.684     0    0.110   0.969    78.053    0.000    0.000
LGA    R    27_A      R    27_B    77.795     0    0.125   1.544    90.253    0.000    0.000
LGA    E    28_A      E    28_B    76.779     0    0.076   1.157    79.936    0.000    0.000
LGA    P    29_A      P    29_B    82.022     0    0.167   0.240    83.463    0.000    0.000
LGA    R    30_A      R    30_B    81.854     0    0.054   0.988    85.072    0.000    0.000
LGA    V    31_A      V    31_B    82.512     0    0.009   0.084    86.019    0.000    0.000
LGA    I    32_A      I    32_B    80.476     0    0.045   0.647    81.501    0.000    0.000
LGA    F    33_A      F    33_B    83.662     0    0.094   1.270    90.504    0.000    0.000
LGA    I    34_A      I    34_B    81.483     0    0.566   1.650    82.512    0.000    0.000
LGA    R    35_A      R    35_B    81.657     0    0.057   1.250    88.810    0.000    0.000
LGA    S    36_A      S    36_B    76.694     0    0.510   0.488    78.624    0.000    0.000
LGA    G    37_A      G    37_B    78.460     0    0.262   0.262    80.321    0.000    0.000
LGA    G    38_A      G    38_B    82.448     0    0.170   0.170    82.918    0.000    0.000
LGA    G    39_A      G    39_B    85.861     0    0.589   0.589    86.225    0.000    0.000
LGA    E    40_A      E    40_B    88.039     0    0.138   0.620    90.867    0.000    0.000
LGA    S    41_A      S    41_B    86.904     0    0.107   0.647    89.096    0.000    0.000
LGA    I    42_A      I    42_B    87.741     0    0.555   0.606    88.168    0.000    0.000
LGA    P    43_A      P    43_B    88.092     0    0.136   0.372    89.537    0.000    0.000
LGA    L    44_A      L    44_B    84.779     0    0.031   0.085    86.276    0.000    0.000
LGA    E    45_A      E    45_B    83.021     0    0.071   0.587    84.293    0.000    0.000
LGA    T    46_A      T    46_B    82.469     0    0.028   0.125    85.228    0.000    0.000
LGA    F    47_A      F    47_B    80.670     0    0.056   0.151    81.768    0.000    0.000
LGA    R    48_A      R    48_B    78.006     0    0.050   1.475    79.662    0.000    0.000
LGA    D    49_A      D    49_B    77.299     0    0.078   0.491    80.087    0.000    0.000
LGA    M    50_A      M    50_B    76.107     0    0.028   1.013    76.794    0.000    0.000
LGA    V    51_A      V    51_B    74.256     0    0.207   1.275    76.269    0.000    0.000
LGA    R    52_A      R    52_B    73.765     0    0.058   1.210    77.594    0.000    0.000
LGA    R    53_A      R    53_B    74.023     0    0.629   1.081    81.887    0.000    0.000
LGA    Y    54_A      Y    54_B    71.899     0    0.570   1.316    72.755    0.000    0.000
LGA    N    55_A      N    55_B    65.402     0    0.594   0.974    67.821    0.000    0.000
LGA    N    56_A      N    56_B    63.801     0    0.602   0.786    64.320    0.000    0.000
LGA    F    57_A      F    57_B    64.497     0    0.035   0.296    67.547    0.000    0.000
LGA    K    58_A      K    58_B    59.584     0    0.093   0.670    61.484    0.000    0.000
LGA    D    59_A      D    59_B    57.607     0    0.153   1.323    58.500    0.000    0.000
LGA    R    60_A      R    60_B    60.139     0    0.254   1.264    70.065    0.000    0.000
LGA    Y    61_A      Y    61_B    59.570     0    0.087   1.336    61.737    0.000    0.000
LGA    G    62_A      G    62_B    59.927     0    0.571   0.571    61.242    0.000    0.000
LGA    R    63_A      R    63_B    62.180     0    0.682   0.916    63.704    0.000    0.000
LGA    E    64_A      E    64_B    66.381     0    0.063   0.675    69.379    0.000    0.000
LGA    P    65_A      P    65_B    72.044     0    0.155   0.411    73.675    0.000    0.000
LGA    R    66_A      R    66_B    76.556     0    0.597   1.541    79.609    0.000    0.000
LGA    I    67_A      I    67_B    79.945     0    0.164   1.500    83.026    0.000    0.000
LGA    V    68_A      V    68_B    78.349     0    0.484   1.301    80.320    0.000    0.000
LGA    Y    69_A      Y    69_B    82.104     0    0.122   1.398    87.264    0.000    0.000
LGA    V    70_A      V    70_B    85.314     0    0.451   0.387    88.863    0.000    0.000
LGA    T    71_A      T    71_B    86.426     0    0.096   0.954    87.854    0.000    0.000
LGA    P    72_A      P    72_B    88.157     0    0.542   0.532    91.048    0.000    0.000
LGA    P    73_A      P    73_B    87.253     0    0.091   0.289    88.151    0.000    0.000
LGA    E    74_A      E    74_B    86.978     0    0.426   1.119    88.922    0.000    0.000
LGA    P    75_A      P    75_B    87.731     0    0.009   0.334    88.881    0.000    0.000
LGA    P    76_A      P    76_B    84.239     0    0.174   0.302    87.185    0.000    0.000
LGA    V    77_A      V    77_B    81.581     0    0.086   1.065    81.971    0.000    0.000
LGA    P    78_A      P    78_B    80.507     0    0.409   0.725    84.929    0.000    0.000
LGA    E    79_A      E    79_B    74.963     0    0.509   1.028    77.073    0.000    0.000
LGA    V    80_A      V    80_B    74.314     0    0.699   0.636    74.916    0.000    0.000
LGA    N    81_A      N    81_B    73.001     0    0.417   0.996    77.814    0.000    0.000
LGA    E    82_A      E    82_B    68.756     0    0.107   1.010    70.557    0.000    0.000
LGA    N    83_A      N    83_B    66.207     0    0.628   1.233    68.079    0.000    0.000
LGA    T    84_A      T    84_B    62.495     0    0.159   1.049    65.498    0.000    0.000
LGA    P    85_A      P    85_B    56.005     0    0.473   0.806    58.044    0.000    0.000
LGA    E    86_A      E    86_B    54.259     0    0.527   1.408    55.333    0.000    0.000
LGA    Y    87_A      Y    87_B    52.742     0    0.701   1.412    53.997    0.000    0.000
LGA    V    88_A      V    88_B    52.030     0    0.059   1.192    52.891    0.000    0.000
LGA    S    89_A      S    89_B    52.483     0    0.046   0.256    55.636    0.000    0.000
LGA    I    90_A      I    90_B    56.232     0    0.640   0.928    59.141    0.000    0.000
LGA    T    91_A      T    91_B    61.537     0    0.315   1.160    66.101    0.000    0.000
LGA    Q    92_A      Q    92_B    65.861     0    0.598   1.428    70.871    0.000    0.000
LGA    F    93_A      F    93_B    65.382     0    0.596   0.600    66.715    0.000    0.000
LGA    K    94_A      K    94_B    63.549     0    0.653   1.142    64.629    0.000    0.000
LGA    D    95_A      D    95_B    65.477     0    0.618   0.602    68.935    0.000    0.000
LGA    M    96_A      M    96_B    64.476     0    0.562   1.111    65.766    0.000    0.000
LGA    L    97_A      L    97_B    66.330     0    0.586   1.424    68.702    0.000    0.000
LGA    S    98_A      S    98_B    67.949     0    0.067   0.509    71.296    0.000    0.000
LGA    R    99_A      R    99_B    71.411     0    0.055   0.812    74.690    0.000    0.000
LGA    Y   100_A      Y   100_B    67.847     0    0.028   1.307    68.822    0.000    0.000
LGA    N   101_A      N   101_B    65.267     0    0.042   0.091    66.472    0.000    0.000
LGA    R   102_A      R   102_B    69.368     0    0.038   1.181    74.913    0.000    0.000
LGA    F   103_A      F   103_B    70.312     0    0.055   1.280    72.971    0.000    0.000
LGA    K   104_A      K   104_B    66.071     0    0.035   0.154    67.365    0.000    0.000
LGA    E   105_A      E   105_B    66.370     0    0.017   1.116    70.428    0.000    0.000
LGA    V   106_A      V   106_B    70.438     0    0.028   0.120    73.367    0.000    0.000
LGA    N   107_A      N   107_B    68.822     0    0.106   0.139    71.699    0.000    0.000
LGA    G   108_A      G   108_B    64.457     0    0.010   0.010    65.959    0.000    0.000
LGA    R   109_A      R   109_B    63.553     0    0.141   1.383    67.057    0.000    0.000
LGA    E   110_A      E   110_B    60.948     0    0.122   0.731    63.028    0.000    0.000
LGA    P   111_A      P   111_B    62.721     0    0.018   0.124    63.474    0.000    0.000
LGA    R   112_A      R   112_B    65.016     0    0.046   1.740    65.776    0.000    0.000
LGA    V   113_A      V   113_B    64.943     0    0.082   0.157    66.838    0.000    0.000
LGA    V   114_A      V   114_B    63.407     0    0.043   0.278    64.518    0.000    0.000
LGA    F   115_A      F   115_B    66.229     0    0.173   1.222    71.632    0.000    0.000
LGA    I   116_A      I   116_B    63.164     0    0.571   0.572    64.996    0.000    0.000
LGA    Y   117_A      Y   117_B    65.653     0    0.607   1.192    69.947    0.000    0.000
LGA    S   118_A      S   118_B    71.481     0    0.107   0.151    74.084    0.000    0.000
LGA    G   119_A      G   119_B    77.609     0    0.596   0.596    79.277    0.000    0.000
LGA    G   120_A      G   120_B    76.657     0    0.704   0.704    76.657    0.000    0.000
LGA    G   121_A      G   121_B    70.735     0    0.152   0.152    73.055    0.000    0.000
LGA    P   122_A      P   122_B    66.416     0    0.218   0.330    68.098    0.000    0.000
LGA    S   123_A      S   123_B    70.030     0    0.174   0.580    74.269    0.000    0.000
LGA    V   124_A      V   124_B    67.777     0    0.095   0.206    72.145    0.000    0.000
LGA    S   125_A      S   125_B    71.695     0    0.187   0.615    71.695    0.000    0.000
LGA    L   126_A      L   126_B    73.948     0    0.485   1.552    74.974    0.000    0.000
LGA    E   127_A      E   127_B    75.509     0    0.058   1.247    79.171    0.000    0.000
LGA    T   128_A      T   128_B    72.630     0    0.601   1.396    73.516    0.000    0.000
LGA    F   129_A      F   129_B    72.081     0    0.618   1.453    74.934    0.000    0.000
LGA    K   130_A      K   130_B    70.547     0    0.628   1.042    74.859    0.000    0.000
LGA    D   131_A      D   131_B    64.745     0    0.618   1.631    67.145    0.000    0.000
LGA    M   132_A      M   132_B    59.861     0    0.552   1.218    61.771    0.000    0.000
LGA    C   133_A      C   133_B    60.067     0    0.621   0.592    64.826    0.000    0.000
LGA    K   134_A      K   134_B    54.933     0    0.610   0.921    56.909    0.000    0.000
LGA    R   135_A      R   135_B    49.592     0    0.651   1.425    51.691    0.000    0.000
LGA    Y   136_A      Y   136_B    46.151     0    0.543   1.581    47.752    0.000    0.000
LGA    N   137_A      N   137_B    44.031     0    0.554   1.282    46.135    0.000    0.000
LGA    Q   138_A      Q   138_B    37.747     0    0.645   1.204    40.209    0.000    0.000
LGA    F   139_A      F   139_B    32.239     0    0.109   1.244    34.352    0.000    0.000
LGA    L   140_A      L   140_B    32.129     0    0.655   1.365    34.416    0.000    0.000
LGA    E   141_A      E   141_B    31.924     0    0.324   1.133    38.910    0.000    0.000
LGA    E   142_A      E   142_B    25.375     0    0.544   0.921    27.755    0.000    0.000
LGA    N   143_A      N   143_B    24.830     0    0.465   1.200    25.980    0.000    0.000
LGA    R   144_A      R   144_B    24.304     0    0.327   1.254    24.343    0.000    0.000
LGA    R   145_A      R   145_B    24.008     0    0.585   1.237    24.390    0.000    0.000
LGA    E   146_A      E   146_B    27.175     0    0.589   1.179    35.936    0.000    0.000
LGA    P   147_A      P   147_B    24.776     0    0.637   0.852    27.747    0.000    0.000
LGA    R   148_A      R   148_B    22.968     0    0.070   1.265    23.269    0.000    0.000
LGA    I   149_A      I   149_B    21.442     0    0.682   0.617    21.824    0.000    0.000
LGA    V   150_A      V   150_B    23.784     0    0.660   1.271    27.492    0.000    0.000
LGA    Y   151_A      Y   151_B    20.038     0    0.644   1.332    21.112    0.000    0.000
LGA    V   152_A      V   152_B    20.470     0    0.554   1.374    23.257    0.000    0.000
LGA    T   153_A      T   153_B    17.851     0    0.395   1.138    21.121    0.000    0.000
LGA    P   154_A      P   154_B    14.197     0    0.045   0.437    15.278    0.000    0.000
LGA    P   155_A      P   155_B    10.741     0    0.087   0.305    12.972    0.238    0.136
LGA    E   156_A      E   156_B     8.212     0    0.037   0.561    12.230    5.833    2.751
LGA    P   157_A      P   157_B     5.327     0    0.422   0.632     7.964   16.905   14.014
LGA    P   158_A      P   158_B     7.637     0    0.591   0.487     7.941   10.714   14.082
LGA    V   159_A      V   159_B     8.530     0    0.204   0.859    11.141    9.524    5.510
LGA    P   160_A      P   160_B     5.071     0    0.169   0.441     6.464   35.952   30.544
LGA    E   161_A      E   161_B     3.785     0    0.044   0.140     6.807   41.786   32.963
LGA    E   162_A      E   162_B     5.640     0    0.018   0.563     9.454   32.024   17.037
LGA    V   163_A      V   163_B     3.358     0    0.031   0.108     5.971   54.167   43.810
LGA    R   164_A      R   164_B     2.378     0    0.067   1.486     7.673   55.714   41.342
LGA    E   165_A      E   165_B     4.731     0    0.029   0.957     7.331   34.524   25.026
LGA    M   166_A      M   166_B     3.129     0    0.595   1.183     4.868   48.333   48.631
LGA    R   167_A      R   167_B     5.181     0    0.632   1.017    10.479   20.238   10.736
LGA    R   168_A      R   168_B    10.539     0    0.668   1.278    13.413    1.190    0.433
LGA    V   169_A      V   169_B    14.105     0    0.590   0.573    16.686    0.000    0.000
LGA    L   170_A      L   170_B    14.219     0    0.096   1.103    15.689    0.000    0.000
LGA    G   171_A      G   171_B    16.995     0    0.608   0.608    16.995    0.000    0.000
LGA    E   172_A      E   172_B    15.732     0    0.131   0.910    16.708    0.000    0.000
LGA    F   173_A      F   173_B    13.052     0    0.651   1.480    18.635    0.000    0.000
LGA    K   174_A      K   174_B     9.703     0    0.108   0.546    15.706    3.810    1.746
LGA    T   175_A      T   175_B     2.917     0    0.575   0.535     5.137   55.238   64.286
LGA    A   176_A      A   176_B     2.144     0    0.238   0.270     2.875   73.214   70.000
LGA    T   177_A      T   177_B     2.594     0    0.051   0.081     3.804   62.857   55.442
LGA    Q   178_A      Q   178_B     1.858     0    0.041   0.801     3.978   75.119   66.190
LGA    L   179_A      L   179_B     0.835     0    0.028   1.002     2.923   83.690   79.702
LGA    Y   180_A      Y   180_B     1.551     0    0.043   1.241     8.453   70.952   49.246
LGA    T   181_A      T   181_B     2.581     0    0.050   0.154     3.153   62.857   59.388
LGA    L   182_A      L   182_B     1.738     0    0.028   1.273     4.934   70.833   62.917
LGA    V   183_A      V   183_B     2.457     0    0.037   0.046     3.471   59.167   58.367
LGA    S   184_A      S   184_B     3.771     0    0.022   0.053     4.250   43.452   41.349
LGA    R   185_A      R   185_B     3.136     0    0.084   1.248     3.388   53.571   58.139
LGA    R   186_A      R   186_B     2.277     0    0.134   1.450     6.933   62.857   51.602
LGA    C   187_A      C   187_B     2.469     0    0.133   0.895     4.837   64.762   59.206
LGA    K   188_A      K   188_B     2.702     0    0.041   0.793     5.272   62.976   48.201
LGA    Y   189_A      Y   189_B     1.783     0    0.039   0.252     2.104   68.810   73.690
LGA    K   190_A      K   190_B     1.308     0    0.386   0.870     3.842   73.214   66.402
LGA    F   191_A      F   191_B     3.632     0    0.649   0.781     8.856   47.143   25.584
LGA    Y   192_A      Y   192_B     5.964     0    0.635   1.388    13.921   17.500    8.373
LGA    Y   193_A      Y   193_B     5.585     0    0.521   0.538    14.418   16.190    7.937
LGA    N   194_A      N   194_B     7.724     0    0.062   0.558    13.306   12.976    6.667
LGA    D   195_A      D   195_B     7.893     0    0.389   1.326    13.507    7.857    4.107
LGA    Q   196_A      Q   196_B     6.447     0    0.117   1.450    11.146   19.524    9.841
LGA    T   197_A      T   197_B     5.885     0    0.590   0.809     8.635   20.595   15.102
LGA    P   198_A      P   198_B     4.452     0    0.510   0.448     5.817   37.143   31.837
LGA    N   199_A      N   199_B     6.273     0    0.721   1.281     9.885   24.048   13.869
LGA    R   200_A      R   200_B     5.391     0    0.206   1.794    13.962   31.190   13.550
LGA    E   201_A      E   201_B     5.270     0    0.083   0.611     6.651   37.024   27.037
LGA    A   202_A      A   202_B     3.921     0    0.218   0.227     4.950   45.238   42.476
LGA    L   203_A      L   203_B     2.001     0    0.202   0.210     4.902   54.762   57.143
LGA    K   204_A      K   204_B     3.446     0    0.341   0.748     7.563   35.833   47.037
LGA    K   205_A      K   205_B     9.119     0    0.577   0.975    14.361    3.690    1.693
LGA    M   206_A      M   206_B    12.583     0    0.281   1.158    16.936    0.000    0.000
LGA    V   207_A      V   207_B    12.124     0    0.722   1.417    12.763    0.000    0.000
LGA    T   208_A      T   208_B     7.758     0    0.436   0.460     8.954    5.714   11.361
LGA    D   209_A      D   209_B     6.155     0    0.550   1.389     8.995   24.048   15.833
LGA    G   210_A      G   210_B     2.264     0    0.201   0.201     3.416   69.405   69.405
LGA    I   211_A      I   211_B     0.329     0    0.070   0.129     2.048   95.238   87.381
LGA    N   212_A      N   212_B     0.488     0    0.009   1.225     5.209  100.000   74.643
LGA    C   213_A      C   213_B     0.641     0    0.080   0.162     1.042   88.214   88.968
LGA    T   214_A      T   214_B     1.064     0    0.031   1.024     2.796   81.548   74.558
LGA    D   215_A      D   215_B     1.497     0    0.026   0.911     4.845   77.143   66.071
LGA    A   216_A      A   216_B     1.548     0    0.036   0.043     1.796   75.000   76.286
LGA    C   217_A      C   217_B     1.605     0    0.042   0.169     1.773   72.857   72.857
LGA    Q   218_A      Q   218_B     1.477     0    0.050   1.116     4.825   81.548   64.233
LGA    L   219_A      L   219_B     1.250     0    0.018   0.870     5.166   81.429   63.988
LGA    F   220_A      F   220_B     1.160     0    0.107   1.323     8.019   85.952   52.121
LGA    K   221_A      K   221_B     0.587     0    0.030   0.809     3.463   95.238   85.238
LGA    P   222_A      P   222_B     0.623     0    0.015   0.264     1.234   95.238   94.626
LGA    V   223_A      V   223_B     0.807     0    0.048   0.201     1.962   90.476   85.374
LGA    I   224_A      I   224_B     1.191     0    0.036   0.646     3.223   83.690   74.405
LGA    E   225_A      E   225_B     1.004     0    0.047   0.571     3.583   83.690   71.958
LGA    G   226_A      G   226_B     0.836     0    0.117   0.117     0.888   90.476   90.476
LGA    L   227_A      L   227_B     1.296     0    0.058   0.122     1.472   81.429   81.429
LGA    G   228_A      G   228_B     1.249     0    0.037   0.037     1.257   85.952   85.952
LGA    Y   229_A      Y   229_B     0.734     0    0.063   0.998     5.696   90.476   67.857
LGA    S   230_A      S   230_B     0.538     0    0.045   0.078     1.091   92.857   90.556
LGA    V   231_A      V   231_B     0.848     0    0.067   0.924     2.411   85.952   80.544
LGA    R   232_A      R   232_B     1.955     0    0.086   1.056     3.018   77.143   70.996
LGA    I   233_A      I   233_B     1.400     0    0.075   1.099     2.939   75.000   70.060
LGA    E   234_A      E   234_B     1.822     0    0.135   1.057     6.008   75.000   54.180
LGA    H   235_A      H   235_B     0.967     0    0.135   0.893     3.810   90.476   72.476
LGA    V   236_A      V   236_B     1.027     0    0.167   1.070     3.539   88.214   78.639
LGA    K   237_A      K   237_B     1.500     0    0.028   0.709     2.590   75.000   74.974
LGA    V   238_A      V   238_B     2.331     0    0.135   1.053     3.812   70.952   63.129
LGA    R   239_A      R   239_B     3.417     0    0.628   1.664    13.832   51.905   23.203
LGA    C   240_A      C   240_B     2.697     0    0.126   0.171     6.377   49.524   40.238
LGA    N   241_A      N   241_B     3.645     0    0.366   0.613     7.798   55.595   36.012
LGA    D   242_A      D   242_B     3.482     0    0.452   1.317     5.045   52.262   44.940
LGA    N   243_A      N   243_B     2.455     0    0.158   0.639     5.555   69.048   55.179
LGA    K   244_A      K   244_B     1.335     0    0.481   1.034     4.253   66.190   70.000
LGA    W   245_A      W   245_B     1.214     0    0.073   0.885     3.288   81.548   64.252
LGA    Y   246_A      Y   246_B     0.810     0    0.047   0.480     3.584   88.214   75.754
LGA    G   247_A      G   247_B     1.048     0    0.030   0.030     1.048   88.214   88.214
LGA    H   248_A      H   248_B     0.553     0    0.056   0.234     0.980   90.476   91.429
LGA    Y   249_A      Y   249_B     0.371     0    0.031   0.219     1.916  100.000   86.984
LGA    F   250_A      F   250_B     0.489     0    0.022   0.473     3.873   97.619   75.844
LGA    L   251_A      L   251_B     0.515     0    0.021   1.353     3.341   92.857   79.226
LGA    R   252_A      R   252_B     1.192     0    0.043   0.895     5.199   85.952   68.485
LGA    V   253_A      V   253_B     0.868     0    0.037   0.132     1.219   85.952   87.891
LGA    A   254_A      A   254_B     1.116     0    0.244   0.318     1.481   85.952   85.048
LGA    G   255_A      G   255_B     2.459     0    0.103   0.103     4.168   57.976   57.976
LGA    K   256_A      K   256_B     3.851     0    0.338   0.772    11.899   55.714   29.630
LGA    E   257_A      E   257_B     5.952     0    0.676   1.284    12.069   14.048    7.513
LGA    L   258_A      L   258_B    11.513     0    0.304   1.447    16.274    0.357    0.179
LGA    A   259_A      A   259_B    15.003     0    0.112   0.145    16.185    0.000    0.000
LGA    S   260_A      S   260_B    16.342     0    0.430   0.702    18.613    0.000    0.000
LGA    V   261_A      V   261_B    16.143     0    0.168   1.209    18.534    0.000    0.000
LGA    S   262_A      S   262_B    13.274     0    0.693   0.614    14.855    0.000    0.000
LGA    L   263_A      L   263_B    12.785     0    0.134   0.255    14.299    0.000    0.000
LGA    P   264_A      P   264_B    15.650     0    0.644   0.502    17.973    0.000    0.000
LGA    S   265_A      S   265_B    14.305     0    0.654   0.757    16.134    0.000    0.000
LGA    E   266_A      E   266_B    12.944     0    0.672   0.904    14.597    0.000    0.000
LGA    R   267_A      R   267_B     6.501     0    0.557   1.259     8.670   19.762   16.537
LGA    W   268_A      W   268_B     2.161     0    0.187   0.814     3.615   57.500   71.156
LGA    T   269_A      T   269_B     2.055     0    0.158   0.974     3.339   64.881   62.789
LGA    V   270_A      V   270_B     2.325     0    0.123   0.117     3.130   62.857   59.388
LGA    W   271_A      W   271_B     2.467     0    0.215   1.115     9.972   64.762   33.946
LGA    D   272_A      D   272_B     0.962     0    0.201   0.275     1.587   81.667   86.131
LGA    Y   273_A      Y   273_B     1.215     0    0.162   1.500    12.576   81.548   39.246
LGA    V   274_A      V   274_B     1.772     0    0.609   0.559     2.867   73.333   70.884
LGA    S   275_A      S   275_B     6.481     0    0.566   0.877    10.861   18.452   12.540
LGA    A   276_A      A   276_B     7.315     0    0.232   0.231     7.959   11.905   10.952
LGA    T   277_A      T   277_B     6.066     0    0.653   0.958     7.849   17.262   16.395
LGA    K   278_A      K   278_B     8.905     0    0.516   0.591    12.977    1.905    1.058

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      275    1100   1100  100.00    2293   2293  100.00               300
SUMMARY(RMSD_GDC):    21.927         21.890                 22.370           20.719   18.082

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  275  300    4.0     78    2.05    22.250    19.118     3.621

LGA_LOCAL      RMSD:   2.054  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  50.746  Number of assigned atoms:  275 
Std_ASGN_ATOMS RMSD:  21.927  Standard rmsd on all 275 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.248572 * X  +   0.882787 * Y  +   0.398622 * Z  + -35.847889
  Y_new =  -0.219287 * X  +  -0.452142 * Y  +   0.864570 * Z  +   0.192569
  Z_new =   0.943465 * X  +   0.127495 * Y  +   0.305973 * Z  + -33.343395 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.418707 -1.232931  0.394809   [DEG: -138.5817  -70.6418   22.6209 ]
ZXZ:  2.709576  1.259836  1.436475   [DEG:  155.2473   72.1833   82.3039 ]
 
# END of job
