
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64     115_A - 178_A       4.94    20.74
  LONGEST_CONTINUOUS_SEGMENT:    64     116_A - 179_A       4.94    20.76
  LCS_AVERAGE:     21.80

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32     145_A - 176_A       1.72    21.53
  LONGEST_CONTINUOUS_SEGMENT:    32     146_A - 177_A       1.77    20.93
  LCS_AVERAGE:      6.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30     146_A - 175_A       0.74    21.34
  LCS_AVERAGE:      5.34

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A      3    4   14      3    3    3    3    4    6    9   12   17   18   21   23   25   26   27   31   32   35   38   39 
LCS_GDT     I     2_A     I     2_A      5    6   14      5    5    5    6    7   11   13   14   17   18   21   23   25   26   27   31   32   35   38   39 
LCS_GDT     D     3_A     D     3_A      5    6   14      5    5    5    6    7   11   13   14   17   18   21   23   25   26   27   31   32   35   38   39 
LCS_GDT     P     4_A     P     4_A      5    6   14      5    5    5    6    7   11   13   14   17   18   21   23   25   26   27   31   35   38   39   39 
LCS_GDT     F     5_A     F     5_A      5    6   14      5    5    5    6    7   11   13   14   17   18   21   23   25   26   35   37   42   54   59   62 
LCS_GDT     T     6_A     T     6_A      5    6   14      5    5    5    6    7    8   13   14   16   18   21   23   25   26   27   31   42   45   52   62 
LCS_GDT     W     7_A     W     7_A      3    6   14      3    3    4    5    6    8   13   14   17   18   21   23   25   26   27   31   35   38   52   57 
LCS_GDT     G     8_A     G     8_A      4    5   14      3    3    4    5    5    6   11   12   12   17   20   25   29   34   38   44   47   54   59   63 
LCS_GDT     F     9_A     F     9_A      4    5   14      3    3    4    5    6    8   11   13   16   18   21   23   30   33   35   44   53   56   59   62 
LCS_GDT     G    10_A     G    10_A      4    5   14      3    3    4    5    6   11   13   14   17   21   25   26   30   38   49   52   56   60   66   71 
LCS_GDT     G    11_A     G    11_A      4    5   14      3    3    4    5    7   10   13   15   17   19   27   32   38   45   49   54   59   64   70   76 
LCS_GDT     S    12_A     S    12_A      4    6   14      3    3    4    4    6   10   13   15   17   19   27   32   38   45   49   54   59   64   71   76 
LCS_GDT     S    13_A     S    13_A      4    6   14      3    4    5    5    6    6    8   12   17   19   27   29   37   42   49   53   59   64   69   76 
LCS_GDT     K    14_A     K    14_A      4    6   14      3    4    5    5    6    6    7   12   14   18   25   28   37   42   48   53   59   64   69   75 
LCS_GDT     E    15_A     E    15_A      4    6   14      3    4    5    5    6    6    7   12   13   18   20   28   33   37   46   49   51   61   65   68 
LCS_GDT     K    16_A     K    16_A      4    6   16      3    4    5    5    6    6    8   11   14   17   17   20   29   33   38   44   49   55   62   68 
LCS_GDT     P    17_A     P    17_A      4    6   21      3    3    5    5    6    6    9   11   14   17   17   21   26   28   35   36   47   53   58   67 
LCS_GDT     N    18_A     N    18_A      4    6   21      3    4    5    5    5    6    9   12   14   17   20   25   29   33   36   40   49   55   58   67 
LCS_GDT     Y    19_A     Y    19_A      4    5   21      3    4    5    7    7   11   12   14   15   16   19   21   26   28   32   35   37   41   44   56 
LCS_GDT     D    20_A     D    20_A      4    5   21      3    4    5    5    5    9   12   14   15   16   19   21   26   28   32   35   37   39   42   47 
LCS_GDT     Y    21_A     Y    21_A      4    5   21      3    4    5    7    9   11   12   14   15   16   19   21   26   28   32   35   37   39   45   46 
LCS_GDT     S    22_A     S    22_A      4    5   21      3    3    5    7    9   11   12   14   15   16   19   21   26   28   32   35   37   38   40   44 
LCS_GDT     A    23_A     A    23_A      3    5   21      3    3    4    7    9   11   12   12   15   16   19   21   26   28   32   35   37   38   40   44 
LCS_GDT     D    24_A     D    24_A      3    4   21      3    3    3    3    4    7    9   12   14   16   19   21   24   27   32   35   37   38   40   44 
LCS_GDT     K    25_A     K    25_A      7   11   21      6    6    7    8   10   10   12   13   14   15   19   21   26   28   32   35   37   38   40   44 
LCS_GDT     K    26_A     K    26_A      7   11   21      6    6    7    8   10   10   12   13   14   16   19   21   26   28   32   35   37   38   38   39 
LCS_GDT     L    27_A     L    27_A      7   11   21      6    6    7    8   10   11   12   14   15   16   19   21   26   28   32   35   37   38   40   47 
LCS_GDT     I    28_A     I    28_A      7   11   21      6    6    7    8   10   11   12   14   15   16   19   21   26   28   32   35   37   38   49   55 
LCS_GDT     E    29_A     E    29_A      7   11   21      6    6    7    8   10   11   12   14   15   16   19   21   26   28   32   35   37   38   38   44 
LCS_GDT     I    30_A     I    30_A      7   11   21      6    6    7    8   10   11   12   14   15   16   18   21   26   28   32   35   37   38   38   39 
LCS_GDT     N    31_A     N    31_A      7   11   21      1    6    7    7    9   10   12   14   15   16   18   21   26   28   32   35   37   38   42   48 
LCS_GDT     T    32_A     T    32_A      5   11   21      2    4    7    8   10   10   12   14   15   16   18   19   26   28   30   35   37   38   38   43 
LCS_GDT     R    33_A     R    33_A      5   11   22      0    4    6    8   10   11   12   14   15   16   19   21   26   28   32   35   37   39   44   53 
LCS_GDT     P    34_A     P    34_A      5   11   22      3    4    5    8   10   11   12   14   15   16   19   21   26   28   32   36   40   42   47   50 
LCS_GDT     I    35_A     I    35_A      5   11   22      3    4    6    8   10   11   12   14   15   18   21   24   28   32   38   45   48   53   60   67 
LCS_GDT     S    36_A     S    36_A      3    6   22      3    4    7    8    9   12   15   18   19   22   27   31   36   41   45   51   60   68   71   74 
LCS_GDT     T    37_A     T    37_A      3    7   22      3    3    7    8    9   12   15   18   19   22   25   38   39   43   47   61   64   68   71   76 
LCS_GDT     D    38_A     D    38_A      6    7   22      6    6    7    8    9   12   15   18   19   22   25   30   36   41   45   52   62   68   71   76 
LCS_GDT     N    39_A     N    39_A      6    7   22      6    6    6    6    9   11   15   17   18   20   25   30   36   41   45   52   62   68   71   76 
LCS_GDT     A    40_A     A    40_A      6    7   22      6    6    6    6    9   11   15   17   18   22   25   30   34   40   43   49   60   66   71   76 
LCS_GDT     K    41_A     K    41_A      6    7   27      6    6    6    6    7   11   12   18   19   22   27   30   32   37   42   51   61   68   71   76 
LCS_GDT     Y    42_A     Y    42_A      6    7   27      6    6    6    6    8   11   13   19   23   28   35   37   40   44   52   58   64   68   71   76 
LCS_GDT     W    43_A     W    43_A      6    7   48      6    6    6    6    9   12   15   18   23   28   35   37   40   44   52   58   64   68   71   76 
LCS_GDT     C    44_A     C    44_A      4    7   48      3    3    4    5    9   12   15   18   19   22   27   30   36   43   52   58   64   68   71   76 
LCS_GDT     F    45_A     F    45_A      4    5   48      3    4    4    7    7    8   12   12   14   18   22   26   36   41   48   57   64   68   71   76 
LCS_GDT     D    46_A     D    46_A      4    5   52      3    4    4    5    9   11   12   14   20   28   35   37   40   44   51   58   64   68   71   76 
LCS_GDT     K    47_A     K    47_A      4    5   54      3    4    4    5    5    7   15   17   22   31   36   40   44   48   51   55   61   67   71   76 
LCS_GDT     G    48_A     G    48_A      4   18   54      3    4    4    7    7    8   10   17   22   31   36   39   44   48   51   56   64   68   71   76 
LCS_GDT     N    49_A     N    49_A     16   18   54      4   11   15   16   17   23   28   30   33   37   42   44   46   48   52   58   64   68   71   83 
LCS_GDT     D    50_A     D    50_A     16   18   54      7   12   15   16   18   24   28   30   33   38   42   44   46   48   52   58   65   71   76   83 
LCS_GDT     L    51_A     L    51_A     16   18   54      7   12   15   16   19   22   27   30   33   38   42   44   46   48   51   57   64   67   73   83 
LCS_GDT     G    52_A     G    52_A     16   18   54      7   13   15   16   17   17   22   30   33   38   42   44   46   48   52   58   64   71   76   83 
LCS_GDT     C    53_A     C    53_A     16   18   54      7   13   15   16   20   24   28   30   33   38   42   44   46   48   56   66   72   76   80   86 
LCS_GDT     L    54_A     L    54_A     16   18   54      7   13   15   16   17   17   22   29   32   38   42   44   46   48   56   63   72   76   80   86 
LCS_GDT     S    55_A     S    55_A     16   18   54      7   13   15   16   18   22   27   30   33   38   42   44   50   58   68   70   73   76   80   86 
LCS_GDT     L    56_A     L    56_A     16   18   54      7   13   15   16   20   24   28   30   33   38   42   49   57   64   68   71   75   78   81   86 
LCS_GDT     E    57_A     E    57_A     16   18   54      7   13   29   30   32   32   33   35   41   44   52   59   62   67   69   73   75   78   83   87 
LCS_GDT     K    58_A     K    58_A     16   18   54      7   13   15   16   32   32   33   35   41   44   52   59   62   67   69   73   75   78   83   87 
LCS_GDT     L    59_A     L    59_A     16   18   54      7   13   15   16   17   20   28   30   33   39   46   55   61   67   69   72   75   78   83   87 
LCS_GDT     E    60_A     E    60_A     16   18   54      7   13   15   16   20   24   28   30   33   37   42   44   46   52   56   67   74   78   83   87 
LCS_GDT     A    61_A     A    61_A     16   18   54      6   13   15   16   17   17   31   32   35   40   44   49   52   57   60   70   74   78   83   87 
LCS_GDT     L    62_A     L    62_A     16   18   54      7   13   15   16   19   22   27   30   35   38   42   44   52   54   59   64   74   78   83   87 
LCS_GDT     E    63_A     E    63_A     16   18   54      7   13   15   16   17   17   28   28   32   37   40   44   46   48   51   54   57   64   76   87 
LCS_GDT     S    64_A     S    64_A     16   18   54      7   13   15   16   17   17   24   28   30   37   40   42   46   48   50   54   57   64   75   87 
LCS_GDT     K    65_A     K    65_A     16   18   54      9   11   14   16   20   24   28   30   33   38   42   44   46   48   51   54   62   72   77   87 
LCS_GDT     D    66_A     D    66_A     12   15   54      9   11   14   16   20   24   28   30   33   38   42   44   46   48   51   54   59   64   70   77 
LCS_GDT     L    67_A     L    67_A     12   15   54      9   11   14   16   20   24   28   30   33   38   42   44   46   48   51   54   61   68   71   87 
LCS_GDT     K    68_A     K    68_A     12   15   54      9   11   14   16   20   24   28   30   33   38   42   44   46   48   51   54   60   67   70   74 
LCS_GDT     K    69_A     K    69_A     12   15   54      9   11   14   16   20   24   28   30   33   38   42   44   46   48   51   56   63   68   71   85 
LCS_GDT     V    70_A     V    70_A     12   15   54      9   11   14   16   20   24   28   30   33   38   42   44   47   51   56   61   70   76   81   87 
LCS_GDT     V    71_A     V    71_A     12   15   54      9   11   14   16   20   24   28   30   33   38   42   44   46   48   52   58   64   70   80   87 
LCS_GDT     K    72_A     K    72_A     12   15   54      9   11   14   16   20   24   28   30   33   38   42   44   46   48   52   58   64   68   71   84 
LCS_GDT     F    73_A     F    73_A     12   15   54      9   11   14   16   19   24   28   33   35   38   42   44   46   48   52   59   66   75   80   87 
LCS_GDT     Y    74_A     Y    74_A     12   15   54      4   11   16   22   30   30   33   33   35   38   42   48   52   54   61   65   71   76   81   87 
LCS_GDT     E    75_A     E    75_A     12   15   54      4   11   14   16   20   24   32   33   35   38   42   44   46   48   56   59   66   75   80   87 
LCS_GDT     K    76_A     K    76_A     12   15   54      4    5   10   15   20   24   28   30   33   38   42   44   46   48   52   59   65   71   76   84 
LCS_GDT     T    77_A     T    77_A      5   15   54      3    5    7   12   20   24   28   30   33   38   42   44   46   48   56   59   66   73   80   85 
LCS_GDT     I    78_A     I    78_A      5   15   54      3    5    9   14   20   24   28   30   33   38   42   44   46   48   56   59   66   71   80   84 
LCS_GDT     P    79_A     P    79_A      5   15   54      3    5   10   15   20   24   28   30   33   38   42   44   46   48   52   59   65   71   76   83 
LCS_GDT     E    80_A     E    80_A      4    7   54      3    4    5   10   14   19   27   30   33   38   42   44   46   48   52   58   64   68   71   76 
LCS_GDT     Y    81_A     Y    81_A      4    5   54      3    4    5    6    7    8   11   13   17   18   21   30   38   41   49   53   60   68   71   74 
LCS_GDT     C    82_A     C    82_A      4    5   54      3    4    5    5    6   11   13   18   19   29   35   38   43   46   52   58   64   68   71   76 
LCS_GDT     Y    83_A     Y    83_A      5    7   54      3    4    5    6   10   20   28   30   33   38   42   44   46   48   52   58   64   68   71   76 
LCS_GDT     D    84_A     D    84_A      5    7   54      3    4    8   14   19   24   28   30   33   38   42   44   46   48   52   58   64   68   71   76 
LCS_GDT     K    85_A     K    85_A      5    7   54      4    5   10   14   20   24   28   30   33   38   42   44   46   48   52   58   64   68   71   76 
LCS_GDT     K    86_A     K    86_A      5    7   54      3    4   10   15   20   24   28   30   33   38   42   44   46   48   52   58   64   68   71   76 
LCS_GDT     F    87_A     F    87_A      5    7   54      3    4    5   14   20   24   28   30   33   38   42   44   46   48   52   58   64   68   71   76 
LCS_GDT     A    88_A     A    88_A      5    7   54      2    4    5   11   18   22   28   30   33   38   42   44   46   48   52   58   64   68   71   83 
LCS_GDT     P    89_A     P    89_A      4    7   54      3    4    9   14   20   24   28   30   33   38   42   44   46   48   52   58   64   68   76   83 
LCS_GDT     A    90_A     A    90_A      4    6   54      3    4    4    5    6    7   11   15   19   29   36   42   47   54   60   64   69   73   80   86 
LCS_GDT     C    91_A     C    91_A      4   18   54      3    4    4    7   10   16   18   18   36   44   51   54   60   64   69   71   74   78   84   87 
LCS_GDT     N    92_A     N    92_A      8   18   54      6    7    9   12   17   17   25   29   33   38   42   44   46   48   51   64   70   74   78   83 
LCS_GDT     I    93_A     I    93_A      8   18   54      6    7   10   14   17   17   18   19   42   48   54   58   63   67   70   73   76   79   84   87 
LCS_GDT     P    94_A     P    94_A      8   18   54      6    7   12   14   17   17   26   33   41   49   55   61   63   67   70   73   77   82   84   87 
LCS_GDT     A    95_A     A    95_A      8   18   54      6    7    9   13   17   19   21   25   30   38   47   55   60   64   70   73   75   79   84   86 
LCS_GDT     I    96_A     I    96_A      8   18   54      6    7   11   16   19   22   27   30   36   46   54   58   62   67   70   73   76   79   84   86 
LCS_GDT     D    97_A     D    97_A     12   18   54      6   11   14   21   26   33   41   45   48   51   55   61   64   67   70   74   77   82   84   87 
LCS_GDT     L    98_A     L    98_A     12   18   54      4   10   15   21   27   33   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     I    99_A     I    99_A     12   18   54      8   10   12   21   23   33   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Q   100_A     Q   100_A     12   18   54      8   10   12   16   19   25   37   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Q   101_A     Q   101_A     12   18   53      8   10   12   21   26   33   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   102_A     K   102_A     12   18   26      8   10   12   14   17   17   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     L   103_A     L   103_A     12   18   26      8   10   12   14   17   17   18   19   26   30   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     S   104_A     S   104_A     12   18   26      8   10   12   14   17   17   18   19   47   50   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   105_A     Y   105_A     12   18   26      8   10   12   14   17   17   18   18   21   24   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   106_A     Y   106_A     12   18   26      8   10   12   14   17   17   18   18   21   21   26   28   34   61   70   75   78   82   84   87 
LCS_GDT     V   107_A     V   107_A     12   18   26      8   10   12   14   17   17   18   18   21   21   24   28   34   52   57   75   78   82   84   87 
LCS_GDT     R   108_A     R   108_A     12   18   26      5   10   12   14   17   17   18   18   21   21   24   28   41   52   67   75   78   82   84   87 
LCS_GDT     N   109_A     N   109_A      6    9   26      5    6    7   10   12   13   15   18   20   20   25   27   37   42   49   58   64   68   75   81 
LCS_GDT     D   110_A     D   110_A      6    9   26      5    6    7    8    9   10   12   14   18   24   29   36   41   44   52   58   64   68   78   81 
LCS_GDT     I   111_A     I   111_A      6    9   26      5    6    7    8    9   10   12   13   19   24   32   36   41   45   52   58   64   68   71   76 
LCS_GDT     D   112_A     D   112_A      6    9   26      5    6    7    8    9   10   12   13   16   18   22   26   27   32   44   49   54   57   64   71 
LCS_GDT     N   113_A     N   113_A      6    9   26      4    6    6    8    9   10   12   13   16   18   22   25   27   30   34   42   51   56   62   69 
LCS_GDT     K   114_A     K   114_A      5    9   26      4    4    4    6    8    9   12   13   15   19   23   28   35   41   49   55   60   67   73   77 
LCS_GDT     T   115_A     T   115_A      5    9   64      4    4    7    8    9   10   12   16   23   29   37   47   54   59   67   70   76   82   84   85 
LCS_GDT     I   116_A     I   116_A      5    9   64      4    4    4    9   12   20   24   36   43   49   55   59   64   67   70   74   78   82   84   86 
LCS_GDT     K   117_A     K   117_A      5    6   64      3    3    3    6   12   14   18   22   29   44   46   58   63   67   70   74   77   82   84   85 
LCS_GDT     T   118_A     T   118_A      3    5   64      3    3    6    9   13   20   29   35   43   51   55   61   64   67   70   75   78   82   84   86 
LCS_GDT     F   119_A     F   119_A      3   12   64      3   14   22   28   31   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   120_A     Y   120_A     12   13   64      6   11   11   12   13   24   32   40   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     S   121_A     S   121_A     12   13   64      6   11   17   24   28   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     D   122_A     D   122_A     12   13   64      6   11   11   12   26   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   123_A     Y   123_A     12   13   64      6   11   11   18   24   30   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     A   124_A     A   124_A     12   13   64      6   11   11   12   22   30   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   125_A     K   125_A     12   13   64      6   11   11   12   15   26   39   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     A   126_A     A   126_A     12   13   64      6   11   11   12   23   33   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     L   127_A     L   127_A     12   13   64      5   11   17   24   28   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     S   128_A     S   128_A     12   13   64      6   11   11   12   18   26   33   40   47   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     E   129_A     E   129_A     12   13   64      5   11   11   12   13   18   27   30   36   47   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     S   130_A     S   130_A     12   13   64      5   11   12   15   21   31   40   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   131_A     K   131_A     12   13   64      5    9   11   12   13   23   32   38   44   50   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     A   132_A     A   132_A     10   13   64      7    9   10   10   11   11   13   25   32   41   51   58   64   67   70   74   78   82   84   87 
LCS_GDT     D   133_A     D   133_A     10   11   64      7    9   10   10   11   12   19   44   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     V   134_A     V   134_A     10   11   64      7    9   10   10   12   17   19   26   39   49   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   135_A     K   135_A     10   11   64      7    9   10   10   15   25   32   40   46   50   55   61   63   67   70   75   78   82   84   87 
LCS_GDT     M   136_A     M   136_A     10   11   64      7    9   10   11   21   31   39   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     L   137_A     L   137_A     10   11   64      7    9   10   10   11   11   14   18   26   36   48   59   63   67   70   75   78   82   84   87 
LCS_GDT     E   138_A     E   138_A     10   11   64      7    9   10   10   11   11   12   15   20   26   35   42   47   67   69   75   76   82   84   87 
LCS_GDT     Y   139_A     Y   139_A     10   11   64      4    9   10   10   11   17   24   39   46   50   54   61   63   67   70   75   78   82   84   87 
LCS_GDT     G   140_A     G   140_A     10   11   64      4    9   10   10   12   14   19   30   42   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     C   141_A     C   141_A      4    5   64      3    5    5    6    7   10   13   16   24   32   49   59   63   67   70   75   77   82   84   87 
LCS_GDT     N   142_A     N   142_A      4    5   64      3    4    4    6    9   11   17   29   38   46   54   59   63   67   70   73   76   82   84   86 
LCS_GDT     E   143_A     E   143_A      4    5   64      3    4    4    6   10   15   18   24   35   44   53   59   62   67   70   73   75   78   83   86 
LCS_GDT     L   144_A     L   144_A      3    4   64      3    3    3    3    4    9   16   22   35   41   53   59   62   67   69   73   75   78   83   86 
LCS_GDT     K   145_A     K   145_A      3   32   64      3    3    3    3    4    6   11   18   29   41   46   55   60   67   69   73   75   78   83   86 
LCS_GDT     S   146_A     S   146_A     30   32   64     15   28   29   30   32   34   38   43   47   50   55   61   63   67   70   75   77   82   84   87 
LCS_GDT     A   147_A     A   147_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   148_A     Y   148_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     I   149_A     I   149_A     30   32   64     16   28   29   30   32   34   39   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     C   150_A     C   150_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     R   151_A     R   151_A     30   32   64     15   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     D   152_A     D   152_A     30   32   64     15   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     L   153_A     L   153_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     R   154_A     R   154_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     D   155_A     D   155_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     M   156_A     M   156_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   157_A     Y   157_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   158_A     K   158_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   159_A     Y   159_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     L   160_A     L   160_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     G   161_A     G   161_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     D   162_A     D   162_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   163_A     K   163_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     E   164_A     E   164_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   165_A     K   165_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     T   166_A     T   166_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   167_A     K   167_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     E   168_A     E   168_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     Y   169_A     Y   169_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     N   170_A     N   170_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     D   171_A     D   171_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   172_A     K   172_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     M   173_A     M   173_A     30   32   64     16   28   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     K   174_A     K   174_A     30   32   64      6   16   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     N   175_A     N   175_A     30   32   64      4   21   29   30   32   34   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     G   176_A     G   176_A      5   32   64      4    5    9   22   29   33   41   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     D   177_A     D   177_A      5   32   64      4    5    7   12   21   26   32   45   48   51   55   61   64   67   70   75   78   82   84   87 
LCS_GDT     E   178_A     E   178_A      5   12   64      4    5    8   12   19   25   32   44   47   50   55   59   64   67   70   75   78   82   84   87 
LCS_GDT     K   179_A     K   179_A      4    6   64      4    4    4    4    6    8   11   14   20   25   34   45   55   61   69   74   78   81   83   85 
LCS_GDT     W   180_A     W   180_A      4    7   63      4    4    4    5    6    8   10   14   22   25   27   34   41   55   63   71   78   81   83   85 
LCS_GDT     N   181_A     N   181_A      6    8   47      4    5    6    7   11   17   27   33   36   42   51   59   64   67   70   75   78   82   84   87 
LCS_GDT     S   182_A     S   182_A      6    8   46      3    5    6    6    8    9   13   23   34   40   49   58   63   67   70   75   78   82   84   87 
LCS_GDT     V   183_A     V   183_A      6    8   46      3    5    6    6    7   11   16   20   28   36   42   51   63   67   70   75   78   82   84   87 
LCS_GDT     L   184_A     L   184_A      6    8   46      3    5    6    6   10   12   15   26   34   41   50   58   64   67   70   75   78   82   84   87 
LCS_GDT     Y   185_A     Y   185_A      6   10   46      3    5    6    8   16   21   27   33   37   42   51   59   64   67   70   75   78   82   84   87 
LCS_GDT     D   186_A     D   186_A      6   10   46      5    6    7    8    8   10   14   25   31   34   37   49   53   62   70   74   78   82   84   85 
LCS_GDT     Y   187_A     Y   187_A      6   10   46      5    6    7    8    8   10   10   10   13   15   19   20   22   30   46   54   60   64   70   77 
LCS_GDT     K   188_A     K   188_A      6   10   46      5    6    7    8    8   10   10   10   13   15   19   21   24   33   40   52   60   63   69   71 
LCS_GDT     H   189_A     H   189_A      6   10   46      5    6    7    8    8   10   15   25   32   38   46   52   63   67   70   75   78   82   84   87 
LCS_GDT     M   190_A     M   190_A      6   10   46      5    6    7    8   10   19   27   32   36   41   46   54   63   67   70   75   78   82   84   87 
LCS_GDT     R   191_A     R   191_A      4   10   46      3    4    5    6    8   10   15   25   30   37   42   47   52   59   69   75   78   81   83   87 
LCS_GDT     Y   192_A     Y   192_A      4   10   46      3    4    4    4    8   10   12   17   27   31   40   46   51   58   67   74   78   81   83   87 
LCS_GDT     I   193_A     I   193_A      4   10   21      5    6    7    8    8   10   10   12   13   17   20   24   31   37   44   52   60   70   76   78 
LCS_GDT     H   194_A     H   194_A      3   10   21      3    5    7    8    8   10   10   10   13   17   20   23   27   32   36   44   51   58   65   71 
LCS_GDT     G   195_A     G   195_A      3    5   21      3    3    4    4    5    6    7   12   13   17   20   23   28   34   37   44   52   59   66   71 
LCS_GDT     G   196_A     G   196_A      4   12   21      3    4    7   11   12   12   12   12   13   17   20   23   27   32   36   43   51   58   64   70 
LCS_GDT     Y   197_A     Y   197_A      4   12   21      3    4   10   11   12   12   12   12   13   17   19   23   27   32   35   41   46   53   61   65 
LCS_GDT     S   198_A     S   198_A      9   12   21      3    6   10   11   12   12   12   12   13   15   19   23   27   30   33   41   47   58   64   70 
LCS_GDT     S   199_A     S   199_A      9   12   16      3    7   10   11   12   12   12   13   16   18   21   24   26   28   30   33   35   36   37   41 
LCS_GDT     W   200_A     W   200_A      9   12   16      3    4   10   11   12   12   12   12   13   15   21   24   26   28   30   33   35   36   37   39 
LCS_GDT     W   201_A     W   201_A      9   12   16      4    7   10   11   12   12   12   13   16   18   21   24   26   28   30   33   37   39   43   49 
LCS_GDT     L   202_A     L   202_A      9   12   16      4    7   10   11   12   12   12   13   16   18   21   24   26   28   30   33   35   36   40   43 
LCS_GDT     L   203_A     L   203_A      9   12   16      4    7   10   11   12   12   12   12   15   16   19   20   23   25   28   30   32   36   36   38 
LCS_GDT     E   204_A     E   204_A      9   12   16      4    7   10   11   12   12   12   12   13   15   19   20   22   24   25   27   31   32   34   36 
LCS_GDT     K   205_A     K   205_A      9   12   16      4    7   10   11   12   12   12   12   13   16   19   20   22   24   28   29   31   32   36   42 
LCS_GDT     I   206_A     I   206_A      9   12   16      4    7   10   11   12   12   12   12   13   14   19   20   22   24   24   25   35   37   37   38 
LCS_GDT     K   207_A     K   207_A      7   12   16      3    3    7    9   12   12   12   12   13   14   16   19   21   24   27   34   36   37   37   38 
LCS_AVERAGE  LCS_A:  11.38  (   5.34    6.98   21.80 )

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     16     28     29     30     32     34     41     45     48     51     55     61     64     67     70     75     78     82     84     87 
GDT PERCENT_AT   7.73  13.53  14.01  14.49  15.46  16.43  19.81  21.74  23.19  24.64  26.57  29.47  30.92  32.37  33.82  36.23  37.68  39.61  40.58  42.03
GDT RMS_LOCAL    0.30   0.57   0.64   0.74   0.99   1.66   2.36   2.57   2.73   2.97   3.23   3.65   3.98   4.49   4.40   5.14   5.31   5.43   5.51   6.37
GDT RMS_ALL_AT  21.66  21.42  21.41  21.34  21.48  20.91  20.79  20.75  20.77  20.79  20.77  20.71  20.64  20.54  20.58  20.45  20.60  20.51  20.54  20.35

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  F    73_A      F    73_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  F   119_A      F   119_A
#   possible swapping detected:  D   122_A      D   122_A
#   possible swapping detected:  Y   123_A      Y   123_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  D   186_A      D   186_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  Y   197_A      Y   197_A
#   possible swapping detected:  E   204_A      E   204_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    49.358     0    0.024   0.024    50.260    0.000    0.000
LGA    I     2_A      I     2_A    46.927     0    0.636   1.602    48.962    0.000    0.000
LGA    D     3_A      D     3_A    40.132     0    0.107   1.197    42.832    0.000    0.000
LGA    P     4_A      P     4_A    35.328     0    0.065   0.293    37.082    0.000    0.000
LGA    F     5_A      F     5_A    31.306     0    0.071   1.304    32.860    0.000    0.000
LGA    T     6_A      T     6_A    36.172     0    0.651   1.371    38.973    0.000    0.000
LGA    W     7_A      W     7_A    39.627     0    0.620   0.475    45.867    0.000    0.000
LGA    G     8_A      G     8_A    37.638     0    0.699   0.699    38.291    0.000    0.000
LGA    F     9_A      F     9_A    37.279     0    0.137   0.132    39.765    0.000    0.000
LGA    G    10_A      G    10_A    32.919     0    0.707   0.707    34.170    0.000    0.000
LGA    G    11_A      G    11_A    28.759     0    0.104   0.104    30.355    0.000    0.000
LGA    S    12_A      S    12_A    26.124     0    0.591   0.808    28.171    0.000    0.000
LGA    S    13_A      S    13_A    25.493     0    0.194   0.635    26.563    0.000    0.000
LGA    K    14_A      K    14_A    25.316     0    0.117   1.030    26.728    0.000    0.000
LGA    E    15_A      E    15_A    27.008     0    0.158   0.693    29.077    0.000    0.000
LGA    K    16_A      K    16_A    28.899     0    0.647   0.962    32.627    0.000    0.000
LGA    P    17_A      P    17_A    27.781     0    0.686   0.879    30.391    0.000    0.000
LGA    N    18_A      N    18_A    31.252     0    0.522   0.953    33.808    0.000    0.000
LGA    Y    19_A      Y    19_A    31.864     0    0.068   0.915    32.581    0.000    0.000
LGA    D    20_A      D    20_A    32.223     0    0.086   1.088    34.494    0.000    0.000
LGA    Y    21_A      Y    21_A    31.442     0    0.687   1.523    31.627    0.000    0.000
LGA    S    22_A      S    22_A    33.960     0    0.640   0.737    36.390    0.000    0.000
LGA    A    23_A      A    23_A    32.771     0    0.653   0.623    32.771    0.000    0.000
LGA    D    24_A      D    24_A    31.803     0    0.409   1.161    33.080    0.000    0.000
LGA    K    25_A      K    25_A    32.668     0    0.593   1.412    38.072    0.000    0.000
LGA    K    26_A      K    26_A    36.185     0    0.035   0.719    46.490    0.000    0.000
LGA    L    27_A      L    27_A    30.789     0    0.043   1.020    32.362    0.000    0.000
LGA    I    28_A      I    28_A    28.132     0    0.077   0.618    30.060    0.000    0.000
LGA    E    29_A      E    29_A    34.339     0    0.100   1.046    40.439    0.000    0.000
LGA    I    30_A      I    30_A    36.387     0    0.178   0.198    39.357    0.000    0.000
LGA    N    31_A      N    31_A    31.021     0    0.482   0.685    32.525    0.000    0.000
LGA    T    32_A      T    32_A    33.577     0    0.605   1.394    37.898    0.000    0.000
LGA    R    33_A      R    33_A    32.493     0    0.080   1.205    38.997    0.000    0.000
LGA    P    34_A      P    34_A    29.826     0    0.616   0.546    34.290    0.000    0.000
LGA    I    35_A      I    35_A    24.688     0    0.049   0.185    26.805    0.000    0.000
LGA    S    36_A      S    36_A    20.757     0    0.114   0.252    22.006    0.000    0.000
LGA    T    37_A      T    37_A    17.841     0    0.537   0.565    18.822    0.000    0.000
LGA    D    38_A      D    38_A    22.836     0    0.492   1.104    25.162    0.000    0.000
LGA    N    39_A      N    39_A    25.532     0    0.035   0.702    31.125    0.000    0.000
LGA    A    40_A      A    40_A    22.047     0    0.041   0.052    23.136    0.000    0.000
LGA    K    41_A      K    41_A    20.118     0    0.045   0.607    21.143    0.000    0.000
LGA    Y    42_A      Y    42_A    23.360     0    0.469   1.261    30.150    0.000    0.000
LGA    W    43_A      W    43_A    24.825     0    0.646   1.269    33.121    0.000    0.000
LGA    C    44_A      C    44_A    24.998     0    0.557   0.771    26.141    0.000    0.000
LGA    F    45_A      F    45_A    28.767     0    0.599   1.226    29.949    0.000    0.000
LGA    D    46_A      D    46_A    29.461     0    0.058   0.879    31.866    0.000    0.000
LGA    K    47_A      K    47_A    31.614     0    0.725   0.959    38.172    0.000    0.000
LGA    G    48_A      G    48_A    29.526     0    0.426   0.426    29.806    0.000    0.000
LGA    N    49_A      N    49_A    23.675     0    0.586   1.028    25.690    0.000    0.000
LGA    D    50_A      D    50_A    20.794     0    0.117   1.130    22.260    0.000    0.000
LGA    L    51_A      L    51_A    21.467     0    0.034   1.113    25.980    0.000    0.000
LGA    G    52_A      G    52_A    18.972     0    0.040   0.040    20.099    0.000    0.000
LGA    C    53_A      C    53_A    14.590     0    0.049   0.869    16.520    0.000    0.000
LGA    L    54_A      L    54_A    14.419     0    0.020   1.029    19.913    0.000    0.000
LGA    S    55_A      S    55_A    14.013     0    0.064   0.731    16.361    0.000    0.000
LGA    L    56_A      L    56_A    11.951     0    0.059   0.188    13.911    0.000    0.000
LGA    E    57_A      E    57_A    10.858     0    0.048   0.797    13.899    0.000    0.000
LGA    K    58_A      K    58_A    11.088     0    0.037   0.838    11.841    0.000    0.000
LGA    L    59_A      L    59_A    10.862     0    0.041   0.236    13.245    0.000    0.000
LGA    E    60_A      E    60_A    12.719     0    0.064   1.030    15.301    0.000    0.000
LGA    A    61_A      A    61_A    14.185     0    0.024   0.044    16.385    0.000    0.000
LGA    L    62_A      L    62_A    13.752     0    0.043   0.135    16.969    0.000    0.000
LGA    E    63_A      E    63_A    17.556     0    0.074   0.956    21.423    0.000    0.000
LGA    S    64_A      S    64_A    21.363     0    0.063   0.694    24.753    0.000    0.000
LGA    K    65_A      K    65_A    21.690     0    0.660   0.963    23.932    0.000    0.000
LGA    D    66_A      D    66_A    24.828     0    0.121   1.261    30.278    0.000    0.000
LGA    L    67_A      L    67_A    21.861     0    0.055   0.964    23.310    0.000    0.000
LGA    K    68_A      K    68_A    25.050     0    0.076   1.284    31.199    0.000    0.000
LGA    K    69_A      K    69_A    22.326     0    0.084   0.915    26.249    0.000    0.000
LGA    V    70_A      V    70_A    15.969     0    0.035   0.944    18.416    0.000    0.000
LGA    V    71_A      V    71_A    17.831     0    0.020   1.008    21.090    0.000    0.000
LGA    K    72_A      K    72_A    21.443     0    0.062   1.260    31.420    0.000    0.000
LGA    F    73_A      F    73_A    17.151     0    0.060   1.407    18.987    0.000    0.000
LGA    Y    74_A      Y    74_A    12.860     0    0.087   1.539    14.400    0.000    0.079
LGA    E    75_A      E    75_A    16.726     0    0.146   1.003    19.442    0.000    0.000
LGA    K    76_A      K    76_A    20.047     0    0.054   0.584    26.423    0.000    0.000
LGA    T    77_A      T    77_A    17.630     0    0.023   0.091    18.277    0.000    0.000
LGA    I    78_A      I    78_A    16.250     0    0.620   0.862    20.090    0.000    0.000
LGA    P    79_A      P    79_A    19.350     0    0.640   0.688    22.507    0.000    0.000
LGA    E    80_A      E    80_A    26.171     0    0.634   0.895    29.081    0.000    0.000
LGA    Y    81_A      Y    81_A    29.932     0    0.617   1.149    38.281    0.000    0.000
LGA    C    82_A      C    82_A    27.515     0    0.281   0.940    28.169    0.000    0.000
LGA    Y    83_A      Y    83_A    26.905     0    0.565   0.589    31.174    0.000    0.000
LGA    D    84_A      D    84_A    29.773     0    0.350   1.044    30.628    0.000    0.000
LGA    K    85_A      K    85_A    29.942     0    0.669   0.882    31.280    0.000    0.000
LGA    K    86_A      K    86_A    27.764     0    0.525   0.901    33.172    0.000    0.000
LGA    F    87_A      F    87_A    24.160     0    0.344   1.012    26.370    0.000    0.000
LGA    A    88_A      A    88_A    20.407     0    0.648   0.634    21.874    0.000    0.000
LGA    P    89_A      P    89_A    17.931     0    0.713   0.592    21.415    0.000    0.000
LGA    A    90_A      A    90_A    11.726     0    0.069   0.068    14.118    2.857    2.286
LGA    C    91_A      C    91_A     8.390     0    0.056   0.079    10.010    3.810    2.619
LGA    N    92_A      N    92_A    11.214     0    0.615   1.256    17.451    1.071    0.536
LGA    I    93_A      I    93_A     6.749     0    0.059   1.418     8.375   16.429   16.607
LGA    P    94_A      P    94_A     5.960     0    0.041   0.084     7.616   20.476   15.578
LGA    A    95_A      A    95_A     7.773     0    0.032   0.039     9.407   11.905    9.810
LGA    I    96_A      I    96_A     7.091     0    0.033   0.123    10.052   15.714    9.405
LGA    D    97_A      D    97_A     3.338     0    0.071   0.352     4.483   48.571   51.190
LGA    L    98_A      L    98_A     1.633     0    0.188   1.455     4.406   66.786   62.560
LGA    I    99_A      I    99_A     3.385     0    0.098   0.154     4.334   46.905   44.405
LGA    Q   100_A      Q   100_A     4.675     0    0.030   0.818     8.155   34.286   23.280
LGA    Q   101_A      Q   101_A     2.743     0    0.088   0.870     7.083   51.905   40.688
LGA    K   102_A      K   102_A     3.518     0    0.060   0.694     6.674   39.524   32.593
LGA    L   103_A      L   103_A     6.217     0    0.046   1.361     8.836   17.619   11.786
LGA    S   104_A      S   104_A     5.830     0    0.053   0.069     6.646   19.405   22.540
LGA    Y   105_A      Y   105_A     5.754     0    0.037   0.438    10.188   17.024   12.262
LGA    Y   106_A      Y   106_A     8.001     0    0.037   0.275     9.864    5.357    9.722
LGA    V   107_A      V   107_A     9.773     0    0.040   0.974    11.480    0.833    0.680
LGA    R   108_A      R   108_A    10.036     0    0.260   1.240    15.385    0.357    0.260
LGA    N   109_A      N   109_A    16.798     0    0.668   1.216    21.206    0.000    0.000
LGA    D   110_A      D   110_A    18.629     0    0.338   1.137    22.814    0.000    0.000
LGA    I   111_A      I   111_A    21.336     0    0.111   1.118    21.780    0.000    0.000
LGA    D   112_A      D   112_A    25.345     0    0.650   1.246    25.523    0.000    0.000
LGA    N   113_A      N   113_A    24.923     0    0.614   1.103    26.941    0.000    0.000
LGA    K   114_A      K   114_A    19.593     0    0.044   0.959    26.526    0.000    0.000
LGA    T   115_A      T   115_A    13.767     0    0.061   0.073    17.412    0.000    0.000
LGA    I   116_A      I   116_A     7.464     0    0.666   1.557     9.526    4.524   15.417
LGA    K   117_A      K   117_A     9.388     0    0.556   1.453    19.499    3.929    1.746
LGA    T   118_A      T   118_A     6.422     0    0.733   0.660     8.484   20.000   18.299
LGA    F   119_A      F   119_A     2.090     0    0.567   1.299     8.948   57.857   33.810
LGA    Y   120_A      Y   120_A     4.313     0    0.589   0.699    15.009   48.810   17.738
LGA    S   121_A      S   121_A     1.279     0    0.033   0.076     3.879   79.405   70.952
LGA    D   122_A      D   122_A     3.272     0    0.036   1.070     5.230   59.286   47.619
LGA    Y   123_A      Y   123_A     3.541     0    0.033   1.304    15.149   57.500   22.381
LGA    A   124_A      A   124_A     3.394     0    0.031   0.049     4.561   53.810   49.333
LGA    K   125_A      K   125_A     4.014     0    0.077   1.265     7.707   43.690   33.228
LGA    A   126_A      A   126_A     2.775     0    0.075   0.076     3.350   64.881   61.905
LGA    L   127_A      L   127_A     1.699     0    0.039   1.313     7.332   67.619   45.298
LGA    S   128_A      S   128_A     5.910     0    0.086   0.674     8.320   20.714   16.825
LGA    E   129_A      E   129_A     6.953     0    0.128   0.879    10.648   14.762    8.889
LGA    S   130_A      S   130_A     3.653     0    0.535   0.465     4.364   41.905   52.222
LGA    K   131_A      K   131_A     7.391     0    0.037   1.461    15.008   13.452    5.979
LGA    A   132_A      A   132_A     7.641     0    0.051   0.054     9.436   15.000   12.286
LGA    D   133_A      D   133_A     5.252     0    0.039   0.916    10.328   27.500   15.952
LGA    V   134_A      V   134_A     6.970     0    0.020   0.114    11.077   15.000    9.388
LGA    K   135_A      K   135_A     7.557     0    0.041   0.924    15.833   12.738    5.820
LGA    M   136_A      M   136_A     4.343     0    0.059   1.163    12.445   32.857   20.952
LGA    L   137_A      L   137_A     7.857     0    0.023   0.976    11.546    7.976    4.048
LGA    E   138_A      E   138_A    10.758     0    0.022   0.720    14.883    0.714    0.317
LGA    Y   139_A      Y   139_A     8.198     0    0.564   1.398    13.987   13.214    5.040
LGA    G   140_A      G   140_A     6.041     0    0.667   0.667     6.771   15.238   15.238
LGA    C   141_A      C   141_A     8.811     0    0.458   1.080    13.818    8.571    5.714
LGA    N   142_A      N   142_A     9.937     0    0.650   0.839    13.177    0.238    0.119
LGA    E   143_A      E   143_A    11.280     0    0.632   0.657    16.768    0.000    0.000
LGA    L   144_A      L   144_A    10.749     0    0.159   1.039    15.415    0.119    0.060
LGA    K   145_A      K   145_A    10.767     0    0.390   0.785    19.792    1.071    0.476
LGA    S   146_A      S   146_A     4.617     0    0.588   0.508     6.251   35.476   42.778
LGA    A   147_A      A   147_A     2.504     0    0.047   0.050     3.353   65.357   65.238
LGA    Y   148_A      Y   148_A     2.195     0    0.050   1.311     8.778   60.952   38.571
LGA    I   149_A      I   149_A     3.743     0    0.027   1.050     5.817   48.333   40.417
LGA    C   150_A      C   150_A     2.649     0    0.036   0.041     3.837   63.214   58.889
LGA    R   151_A      R   151_A     1.058     0    0.042   0.474     5.998   77.143   59.091
LGA    D   152_A      D   152_A     3.358     0    0.031   0.233     5.274   51.786   43.095
LGA    L   153_A      L   153_A     2.821     0    0.050   0.431     4.700   60.952   53.214
LGA    R   154_A      R   154_A     0.957     0    0.038   0.473     2.103   81.548   76.926
LGA    D   155_A      D   155_A     2.473     0    0.030   0.111     3.316   61.190   57.381
LGA    M   156_A      M   156_A     3.382     0    0.060   1.534    10.092   55.357   36.964
LGA    Y   157_A      Y   157_A     1.781     0    0.036   0.251     4.046   72.976   62.976
LGA    K   158_A      K   158_A     1.951     0    0.043   1.006     8.910   66.905   47.619
LGA    Y   159_A      Y   159_A     3.374     0    0.159   1.450     8.432   45.476   33.849
LGA    L   160_A      L   160_A     3.163     0    0.123   0.160     4.301   51.786   50.179
LGA    G   161_A      G   161_A     2.223     0    0.061   0.061     2.379   68.810   68.810
LGA    D   162_A      D   162_A     0.421     0    0.084   0.996     4.500   95.357   74.583
LGA    K   163_A      K   163_A     0.858     0    0.038   1.056     7.177   90.595   61.270
LGA    E   164_A      E   164_A     1.226     0    0.029   0.364     3.031   81.548   77.090
LGA    K   165_A      K   165_A     1.289     0    0.060   1.086     6.196   81.429   62.434
LGA    T   166_A      T   166_A     1.037     0    0.025   1.115     2.718   81.548   76.939
LGA    K   167_A      K   167_A     1.583     0    0.031   0.992     4.232   75.000   70.000
LGA    E   168_A      E   168_A     1.859     0    0.029   0.945     2.860   70.833   71.164
LGA    Y   169_A      Y   169_A     1.823     0    0.069   0.207     4.433   72.857   61.071
LGA    N   170_A      N   170_A     1.656     0    0.054   0.474     2.591   70.833   70.952
LGA    D   171_A      D   171_A     2.232     0    0.043   0.901     5.164   64.762   52.321
LGA    K   172_A      K   172_A     2.388     0    0.073   1.255     7.222   64.762   46.190
LGA    M   173_A      M   173_A     2.264     0    0.088   1.016     3.260   64.762   62.976
LGA    K   174_A      K   174_A     2.260     0    0.149   0.846     4.434   62.857   58.466
LGA    N   175_A      N   175_A     2.069     0    0.507   1.164     6.530   71.190   56.964
LGA    G   176_A      G   176_A     2.254     0    0.088   0.088     3.458   59.405   59.405
LGA    D   177_A      D   177_A     5.073     0    0.233   0.315     7.862   24.167   17.798
LGA    E   178_A      E   178_A     7.147     0    0.683   1.276    11.446    6.786   18.942
LGA    K   179_A      K   179_A    14.447     0    0.170   1.067    23.851    0.000    0.000
LGA    W   180_A      W   180_A    14.994     0    0.307   1.064    21.714    0.000    0.000
LGA    N   181_A      N   181_A    10.239     0    0.461   1.432    11.971    0.476    0.298
LGA    S   182_A      S   182_A    10.332     0    0.169   0.640    12.858    0.000    0.000
LGA    V   183_A      V   183_A    12.346     0    0.154   0.186    15.155    0.000    0.000
LGA    L   184_A      L   184_A    10.252     0    0.097   1.278    13.964    0.000    0.060
LGA    Y   185_A      Y   185_A    10.530     0    0.341   1.370    18.146    0.119    0.040
LGA    D   186_A      D   186_A    13.466     0    0.099   1.105    15.462    0.000    0.000
LGA    Y   187_A      Y   187_A    19.545     0    0.139   0.247    27.413    0.000    0.000
LGA    K   188_A      K   188_A    18.958     0    0.167   1.130    24.367    0.000    0.000
LGA    H   189_A      H   189_A    13.124     0    0.115   1.140    15.972    0.000    5.143
LGA    M   190_A      M   190_A    14.456     0    0.691   0.969    16.349    0.000    0.060
LGA    R   191_A      R   191_A    16.715     0    0.449   1.498    22.297    0.000    0.000
LGA    Y   192_A      Y   192_A    15.583     0    0.584   1.360    19.452    0.000    0.000
LGA    I   193_A      I   193_A    21.541     0    0.052   1.549    25.725    0.000    0.000
LGA    H   194_A      H   194_A    26.379     0    0.405   1.304    31.390    0.000    0.000
LGA    G   195_A      G   195_A    26.856     0    0.041   0.041    29.217    0.000    0.000
LGA    G   196_A      G   196_A    29.417     0    0.652   0.652    30.650    0.000    0.000
LGA    Y   197_A      Y   197_A    28.594     0    0.512   1.451    29.642    0.000    0.000
LGA    S   198_A      S   198_A    26.027     0    0.238   0.782    28.036    0.000    0.000
LGA    S   199_A      S   199_A    29.656     0    0.240   0.687    31.948    0.000    0.000
LGA    W   200_A      W   200_A    31.835     0    0.067   1.192    39.149    0.000    0.000
LGA    W   201_A      W   201_A    30.788     0    0.087   1.523    33.455    0.000    0.000
LGA    L   202_A      L   202_A    32.824     0    0.043   0.963    36.318    0.000    0.000
LGA    L   203_A      L   203_A    37.013     0    0.093   0.945    40.122    0.000    0.000
LGA    E   204_A      E   204_A    38.884     0    0.113   1.205    40.928    0.000    0.000
LGA    K   205_A      K   205_A    39.354     0    0.254   1.012    42.914    0.000    0.000
LGA    I   206_A      I   206_A    42.775     0    0.560   0.861    45.568    0.000    0.000
LGA    K   207_A      K   207_A    47.315     0    0.700   0.726    52.420    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    19.664         19.625                 20.315           16.086   13.556

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     45    2.57    21.498    17.656     1.687

LGA_LOCAL      RMSD:   2.567  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.753  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  19.664  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.807803 * X  +   0.336210 * Y  +   0.484167 * Z  + -10.307131
  Y_new =   0.152693 * X  +  -0.673992 * Y  +   0.722786 * Z  + -30.112638
  Z_new =   0.569332 * X  +   0.657798 * Y  +   0.493116 * Z  + -17.293730 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.954774 -0.605693  0.927522   [DEG:  169.2961  -34.7037   53.1431 ]
ZXZ:  2.551381  1.055129  0.713431   [DEG:  146.1834   60.4544   40.8766 ]
 
# END of job
