
#######################################################
#                                                     #
#                        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  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86      31_B - 116_B       4.86    16.48
  LONGEST_CONTINUOUS_SEGMENT:    86      32_B - 117_B       4.82    16.55
  LCS_AVERAGE:     31.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      51_B - 111_B       1.92    17.46
  LONGEST_CONTINUOUS_SEGMENT:    61      52_B - 112_B       1.87    17.54
  LONGEST_CONTINUOUS_SEGMENT:    61      53_B - 113_B       1.94    17.63
  LCS_AVERAGE:     19.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      65_B - 97_B        0.99    17.48
  LONGEST_CONTINUOUS_SEGMENT:    33      78_B - 110_B       0.97    17.64
  LONGEST_CONTINUOUS_SEGMENT:    33      79_B - 111_B       1.00    17.66
  LCS_AVERAGE:     10.71

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     P     4_B     P     4_B      4   15   20      0    4    4    9   14   15   15   15   18   18   24   35   48   51   64   70   90  106  112  114 
LCS_GDT     D     5_B     D     5_B      4   15   20      3    4    4    9   14   15   15   20   27   35   49   56   68   74   97  102  106  118  124  128 
LCS_GDT     F     6_B     F     6_B      4   15   21      3    4    6    9   14   15   15   28   31   45   55   74   92  106  109  113  120  124  127  128 
LCS_GDT     T     7_B     T     7_B      4   15   21      3    4    7    8   14   15   15   18   22   35   41   56   84  103  108  113  119  124  127  128 
LCS_GDT     G     8_B     G     8_B     11   15   22      9   11   12   12   13   15   15   17   19   21   23   26   35   42   55   69   81   95  123  128 
LCS_GDT     A     9_B     A     9_B     11   15   22      9   11   12   12   14   15   15   17   19   21   23   26   28   35   44   65   73   84  102  128 
LCS_GDT     R    10_B     R    10_B     11   15   22      9   11   12   12   14   15   15   17   19   21   23   26   28   34   41   53   62   71   79   89 
LCS_GDT     E    11_B     E    11_B     11   15   25      9   11   12   12   14   15   15   17   19   21   23   26   27   29   33   35   38   44   53   61 
LCS_GDT     R    12_B     R    12_B     11   15   26      9   10   12   12   14   15   15   17   19   21   23   26   27   29   33   35   38   41   42   48 
LCS_GDT     F    13_B     F    13_B     11   15   26      9   11   12   12   14   15   15   17   19   21   23   26   27   29   33   35   38   41   42   48 
LCS_GDT     L    14_B     L    14_B     11   15   26      9   11   12   12   14   15   15   17   19   21   23   26   27   29   33   35   38   41   42   46 
LCS_GDT     A    15_B     A    15_B     11   15   26      9   11   12   12   14   15   15   17   19   21   23   26   27   29   33   35   38   41   42   46 
LCS_GDT     G    16_B     G    16_B     11   15   26      9   11   12   12   14   15   15   17   19   21   23   26   27   29   31   34   35   41   42   46 
LCS_GDT     D    17_B     D    17_B     11   15   26      4   11   12   12   14   15   15   17   19   21   23   26   27   29   31   34   37   41   42   46 
LCS_GDT     V    18_B     V    18_B     11   15   26      4   11   12   12   14   15   15   16   19   21   23   26   27   29   30   34   35   39   42   44 
LCS_GDT     T    19_B     T    19_B      3   12   26      3    3    5    8   11   13   15   17   19   21   23   26   27   29   33   35   38   41   42   46 
LCS_GDT     I    20_B     I    20_B      3    9   26      3    4    5    7   10   13   15   17   19   21   23   26   27   29   33   35   38   41   42   46 
LCS_GDT     V    21_B     V    21_B      4   10   26      3    5    7    8   10   13   15   17   19   21   23   26   27   29   33   35   38   41   42   46 
LCS_GDT     L    22_B     L    22_B      4   10   26      3    5    7    8    9   13   14   17   19   20   21   26   27   29   33   35   38   41   54   65 
LCS_GDT     L    23_B     L    23_B      4   10   26      3    5    7    8    9   13   14   17   19   20   21   24   27   29   33   35   38   41   42   48 
LCS_GDT     I    24_B     I    24_B      5   10   26      3    5    7    8    9   13   14   17   19   20   21   24   27   29   33   35   38   41   42   46 
LCS_GDT     A    25_B     A    25_B      5   10   26      3    4    5    7    9   13   14   17   19   20   21   24   27   29   33   35   38   41   54   65 
LCS_GDT     E    26_B     E    26_B      5   10   26      3    4    5    7    9   13   14   17   19   20   21   24   27   29   33   35   38   41   45   56 
LCS_GDT     S    27_B     S    27_B      5   10   26      3    4    5    8    9   13   14   17   19   20   21   24   27   28   31   34   36   39   42   46 
LCS_GDT     H    28_B     H    28_B      5   10   26      3    5    7    8    9   13   14   17   19   20   21   24   27   28   33   35   38   41   43   56 
LCS_GDT     D    29_B     D    29_B      5   10   26      3    4    7    8    9   13   14   17   19   20   21   24   27   30   33   69   80   87   99  107 
LCS_GDT     A    30_B     A    30_B      5   10   84      3    4    7    8    9   13   14   17   19   20   21   24   44   46   66   78   87  100  113  127 
LCS_GDT     P    31_B     P    31_B      5    8   86      3    4    5    6   12   18   29   39   45   50   58   69   79   88   96  109  120  124  127  128 
LCS_GDT     Y    32_B     Y    32_B      4    8   86      3    4    5   11   14   15   23   32   41   55   71   81   98  107  109  113  120  124  127  128 
LCS_GDT     R    33_B     R    33_B      4    4   86      3    4    5    5    6    6   19   22   27   40   58   69   80   88   96  112  120  124  127  128 
LCS_GDT     L    34_B     L    34_B      8    9   86      6    7   10   16   26   33   39   44   48   51   61   72   82   88  102  112  120  124  127  128 
LCS_GDT     A    35_B     A    35_B      8    9   86      6    6    8    8    9    9   21   29   40   48   59   69   75   84   92   98  107  122  127  128 
LCS_GDT     N    36_B     N    36_B      8    9   86      6    6    8    8    9    9   44   48   56   67   90   97  103  107  109  113  120  124  127  128 
LCS_GDT     P    37_B     P    37_B      8    9   86      6    6    8   11   16   29   47   65   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    38_B     E    38_B      8    9   86      6   16   33   40   56   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     D    39_B     D    39_B      8    9   86      6   16   36   52   57   59   63   73   82   88   94   97  101  107  109  113  117  123  127  128 
LCS_GDT     P    40_B     P    40_B      8   30   86      3    4    8   21   27   29   40   72   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    41_B     E    41_B      8   33   86      3    9   19   23   27   40   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    42_B     A    42_B     25   34   86      6   14   23   34   49   59   63   73   82   88   94   97  101  107  109  113  117  123  127  128 
LCS_GDT     D    43_B     D    43_B     25   34   86      3    4   24   31   39   42   52   66   76   85   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    44_B     L    44_B     25   34   86      8   22   25   32   39   46   57   68   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     S    45_B     S    45_B     25   34   86      5   22   25   32   39   45   56   68   81   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     D    46_B     D    46_B     25   34   86      5   22   25   32   39   46   56   68   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    47_B     E    47_B     25   34   86     10   22   25   32   39   43   52   66   76   85   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     Q    48_B     Q    48_B     25   34   86     10   22   25   32   39   45   55   66   76   86   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    49_B     L    49_B     25   54   86      7   22   25   32   39   46   57   72   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    50_B     E    50_B     25   58   86      8   22   25   32   39   43   55   68   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     R    51_B     R    51_B     25   61   86      8   22   25   32   39   46   55   68   81   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    52_B     A    52_B     25   61   86     10   22   25   32   44   56   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    53_B     L    53_B     25   61   86     10   22   25   34   51   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    54_B     A    54_B     25   61   86     10   22   25   32   49   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    55_B     A    55_B     25   61   86     10   22   25   40   52   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     Y    56_B     Y    56_B     25   61   86     10   22   37   51   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    57_B     L    57_B     25   61   86     10   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     T    58_B     T    58_B     25   61   86     10   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    59_B     L    59_B     25   61   86     10   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     V    60_B     V    60_B     25   61   86      9   23   39   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    61_B     E    61_B     25   61   86      8   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     T    62_B     T    62_B     25   61   86      8   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    63_B     L    63_B     25   61   86      9   23   38   51   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     F    64_B     F    64_B     31   61   86      6   22   32   50   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     P    65_B     P    65_B     33   61   86     12   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    66_B     E    66_B     33   61   86     12   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    67_B     L    67_B     33   61   86     12   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     Y    68_B     Y    68_B     33   61   86     12   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    69_B     A    69_B     33   61   86     12   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    70_B     E    70_B     33   61   86     12   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     M    71_B     M    71_B     33   61   86     12   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     K    72_B     K    72_B     33   61   86     12   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    73_B     A    73_B     33   61   86     12   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    74_B     A    74_B     33   61   86     12   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    75_B     L    75_B     33   61   86     12   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    76_B     A    76_B     33   61   86      8   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    77_B     A    77_B     33   61   86     12   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    78_B     A    78_B     33   61   86      9   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     K    79_B     K    79_B     33   61   86      8   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     T    80_B     T    80_B     33   61   86      9   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     P    81_B     P    81_B     33   61   86      5   21   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    82_B     E    82_B     33   61   86      6   16   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    83_B     E    83_B     33   61   86      6   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     K    84_B     K    84_B     33   61   86      6   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     I    85_B     I    85_B     33   61   86      8   21   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    86_B     A    86_B     33   61   86      8   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     V    87_B     V    87_B     33   61   86      8   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     F    88_B     F    88_B     33   61   86     11   21   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     R    89_B     R    89_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    90_B     E    90_B     33   61   86      8   22   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     Y    91_B     Y    91_B     33   61   86      8   23   38   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     N    92_B     N    92_B     33   61   86      4   21   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    93_B     A    93_B     33   61   86      8   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     R    94_B     R    94_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     F    95_B     F    95_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L    96_B     L    96_B     33   61   86      9   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A    97_B     A    97_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E    98_B     E    98_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     F    99_B     F    99_B     33   61   86     10   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     D   100_B     D   100_B     33   61   86      9   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   101_B     A   101_B     33   61   86     10   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L   102_B     L   102_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     I   103_B     I   103_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     D   104_B     D   104_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     Q   105_B     Q   105_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   106_B     A   106_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     F   107_B     F   107_B     33   61   86     11   21   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   108_B     A   108_B     33   61   86     11   21   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     R   109_B     R   109_B     33   61   86     11   23   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L   110_B     L   110_B     33   61   86     11   21   40   52   57   59   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     K   111_B     K   111_B     33   61   86     11   21   39   50   57   58   63   72   81   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   112_B     A   112_B     28   61   86      5   15   24   36   51   58   62   66   76   85   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     D   113_B     D   113_B      9   61   86      5   18   24   30   37   52   59   62   68   81   90   96   99  106  109  113  120  124  127  128 
LCS_GDT     S   114_B     S   114_B      9   59   86      4    8   17   27   37   42   54   60   65   74   90   96   99  103  109  113  120  124  127  128 
LCS_GDT     L   115_B     L   115_B     20   43   86      6   17   24   32   37   40   43   45   60   68   82   94   99  103  109  113  120  124  127  128 
LCS_GDT     T   116_B     T   116_B     20   43   86      8   17   24   32   37   40   43   45   46   50   52   58   68   85   94  108  115  118  124  128 
LCS_GDT     L   117_B     L   117_B     20   43   86      8   17   24   32   37   40   43   45   46   50   52   55   59   65   74   92  112  118  124  128 
LCS_GDT     K   118_B     K   118_B     20   43   85      8   17   24   32   37   40   43   45   46   50   52   53   56   61   68   72   78   85   90   96 
LCS_GDT     I   119_B     I   119_B     20   43   84      7   17   24   32   37   40   43   45   46   50   52   53   55   57   61   66   71   78   83   90 
LCS_GDT     H   120_B     H   120_B     20   43   68      6   16   23   32   37   40   43   45   46   50   52   53   55   57   58   64   68   71   76   82 
LCS_GDT     L   121_B     L   121_B     20   43   68      5   16   23   32   37   40   43   45   46   50   52   53   55   57   58   62   66   70   74   79 
LCS_GDT     S   122_B     S   122_B     20   43   68      7   17   24   32   37   40   43   45   46   50   52   53   55   57   58   62   64   69   74   79 
LCS_GDT     Q   123_B     Q   123_B     20   43   68      3   16   24   32   37   40   43   45   46   50   52   53   55   57   58   62   64   69   74   78 
LCS_GDT     G   124_B     G   124_B     20   43   68      3   17   23   32   37   40   43   45   46   50   52   53   54   57   58   62   64   69   73   78 
LCS_GDT     K   125_B     K   125_B     20   43   68      3    4   20   32   37   40   43   45   46   50   52   53   54   57   58   62   64   70   75   80 
LCS_GDT     G   126_B     G   126_B     20   43   68      7   17   24   32   37   40   43   45   46   50   52   53   55   57   58   64   68   74   79   84 
LCS_GDT     S   127_B     S   127_B     20   43   68      6   17   24   32   37   40   43   45   46   50   52   53   55   57   62   67   75   80   84   91 
LCS_GDT     Y   128_B     Y   128_B     20   43   68      8   17   24   32   37   40   43   45   46   50   52   53   58   63   69   76   82   90   99  117 
LCS_GDT     E   129_B     E   129_B     20   43   68      8   17   24   32   37   40   43   45   46   50   52   56   61   68   76   86   92  117  124  128 
LCS_GDT     I   130_B     I   130_B     24   43   68      8   17   24   32   37   40   43   46   48   51   54   65   84  103  107  113  120  124  127  128 
LCS_GDT     I   131_B     I   131_B     25   43   68      8   17   24   32   37   40   43   46   48   51   67   81   96  103  108  113  120  124  127  128 
LCS_GDT     F   132_B     F   132_B     25   43   68      9   19   25   32   37   40   43   46   63   82   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     P   133_B     P   133_B     25   43   68      7   19   25   32   37   40   48   62   76   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     P   134_B     P   134_B     25   43   68      4   19   25   32   37   40   61   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E   135_B     E   135_B     25   43   68      9   19   25   32   40   55   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     V   136_B     V   136_B     25   43   68      8   19   25   32   37   49   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     Q   137_B     Q   137_B     25   43   68      5   12   25   32   37   40   44   71   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   138_B     A   138_B     25   43   68      6   19   25   32   37   40   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     D   139_B     D   139_B     25   43   68     10   19   25   32   37   52   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     P   140_B     P   140_B     25   43   68     10   19   25   31   37   40   47   68   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E   141_B     E   141_B     25   43   68     10   19   25   32   37   40   56   68   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     R   142_B     R   142_B     25   43   68      9   19   25   32   37   55   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   143_B     A   143_B     25   43   68     10   19   25   32   37   40   52   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   144_B     A   144_B     25   43   68     10   19   25   32   37   40   43   54   70   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   145_B     A   145_B     25   43   68     10   19   25   32   37   40   56   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     I   146_B     I   146_B     25   43   68     10   19   25   32   37   40   63   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     E   147_B     E   147_B     25   43   68     10   19   25   32   37   40   43   46   63   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     A   148_B     A   148_B     25   43   68     10   19   25   32   37   40   43   52   63   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L   149_B     L   149_B     25   43   68     10   19   25   32   37   40   47   73   82   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     W   150_B     W   150_B     25   43   68      6   19   25   30   35   40   43   47   69   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     K   151_B     K   151_B     25   43   68      7   16   24   30   34   39   43   46   51   67   78   96  103  107  109  113  120  124  127  128 
LCS_GDT     P   152_B     P   152_B     25   43   68      5   16   25   30   34   38   43   46   63   78   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     T   153_B     T   153_B     25   40   68     11   19   25   30   34   38   43   46   63   88   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L   154_B     L   154_B     25   34   68      9   16   25   30   34   38   42   46   48   56   75   86  103  107  109  113  120  124  127  128 
LCS_GDT     D   155_B     D   155_B     25   34   68     10   19   25   30   34   38   42   46   48   59   75   88  103  107  109  113  120  124  127  128 
LCS_GDT     Q   156_B     Q   156_B     25   34   68     11   16   25   29   34   38   42   46   54   71   94   97  103  107  109  113  120  124  127  128 
LCS_GDT     L   157_B     L   157_B     19   34   68     11   16   18   28   34   38   42   46   48   55   75   81  103  107  109  113  120  124  127  128 
LCS_GDT     L   158_B     L   158_B     19   34   68     11   16   18   28   34   38   42   46   48   51   60   72   82   96  108  113  120  124  127  128 
LCS_GDT     A   159_B     A   159_B     19   34   68     11   16   21   28   34   38   42   46   48   58   75   87  103  107  109  113  120  124  127  128 
LCS_GDT     V   160_B     V   160_B     19   34   68     11   16   18   23   32   38   42   46   48   64   75   93  103  107  109  113  120  124  127  128 
LCS_GDT     L   161_B     L   161_B     19   34   68     11   16   18   22   32   38   42   46   48   51   60   72   82   89  106  113  120  124  127  128 
LCS_GDT     Q   162_B     Q   162_B     19   34   68     11   16   18   26   33   38   42   46   48   51   60   72   82   89  106  113  120  124  127  128 
LCS_GDT     E   163_B     E   163_B     19   34   68     11   16   18   23   32   38   42   46   48   58   71   81   98  107  109  113  120  124  127  128 
LCS_GDT     K   164_B     K   164_B     19   31   68     11   16   18   22   26   33   41   46   48   51   60   72   82   89  104  113  120  124  127  128 
LCS_GDT     H   165_B     H   165_B     19   30   68     11   16   18   22   27   36   42   46   48   51   56   65   74   83   92   98  113  124  127  128 
LCS_GDT     K   166_B     K   166_B     19   30   68     10   16   18   23   32   38   42   46   48   51   60   72   80   88   96  111  120  124  127  128 
LCS_GDT     G   167_B     G   167_B     19   28   68      3    4   11   21   24   30   36   43   48   51   54   59   64   72   80   88   94  101  110  125 
LCS_GDT     K   168_B     K   168_B     19   26   68      6   15   18   22   24   30   36   42   48   51   54   59   64   73   80   88   94  101  109  120 
LCS_GDT     P   169_B     P   169_B     19   26   68      3   15   18   22   24   30   34   38   47   51   54   59   64   73   79   88   94  101  106  118 
LCS_GDT     A   170_B     A   170_B      4   26   68      3    4    4   18   21   22   24   29   32   37   49   55   61   65   73   78   84   92   98  104 
LCS_GDT     T   171_B     T   171_B      4   25   67      3    4    4    9   14   22   28   33   34   39   46   59   63   73   78   87   94  101  106  118 
LCS_GDT     T   172_B     T   172_B      7   34   50      4    5   14   29   31   32   33   33   34   38   45   59   62   73   78   86   94  101  106  115 
LCS_GDT     V   173_B     V   173_B      7   34   50      4    5   15   29   31   32   33   33   34   43   53   64   76   84   94  108  118  124  127  128 
LCS_GDT     T   174_B     T   174_B      7   34   50      4    5   10   29   31   32   33   33   34   36   44   59   81   87  104  113  118  124  127  128 
LCS_GDT     Y   175_B     Y   175_B     29   34   50      4    5    8   27   29   32   33   33   34   52   72   79   94  104  109  113  120  124  127  128 
LCS_GDT     E   176_B     E   176_B     29   34   48      4    5    9   29   31   32   33   36   43   58   61   64   68   73   77   88  101  110  115  120 
LCS_GDT     I   177_B     I   177_B     29   34   44     24   27   27   27   29   32   33   33   34   37   47   50   59   68   70   70   77   85   96  105 
LCS_GDT     S   178_B     S   178_B     29   34   44     22   27   27   29   31   32   33   33   34   35   35   36   38   39   40   50   51   60   64   72 
LCS_GDT     A   179_B     A   179_B     29   34   44     22   27   27   28   31   32   33   33   34   35   35   36   38   39   40   41   42   46   47   50 
LCS_GDT     E   180_B     E   180_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   46   47   49 
LCS_GDT     T   181_B     T   181_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   46   61   65   74 
LCS_GDT     L   182_B     L   182_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   46   52   53   70 
LCS_GDT     R   183_B     R   183_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   43   46   47   49 
LCS_GDT     A   184_B     A   184_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   46   47   55 
LCS_GDT     A   185_B     A   185_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   46   51   53   60   61   68   71   74 
LCS_GDT     V   186_B     V   186_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   47   54   60 
LCS_GDT     A   187_B     A   187_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   46   52   58 
LCS_GDT     A   188_B     A   188_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   49   54   60 
LCS_GDT     L   189_B     L   189_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   58   60   64   66 
LCS_GDT     A   190_B     A   190_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   47   52   58   65 
LCS_GDT     R   191_B     R   191_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   46   50   57   63 
LCS_GDT     A   192_B     A   192_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   47   54   60   65 
LCS_GDT     A   193_B     A   193_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   42   48   54   62   67   71 
LCS_GDT     E   194_B     E   194_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   50   54   60   65 
LCS_GDT     A   195_B     A   195_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   51   60   65 
LCS_GDT     A   196_B     A   196_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   45   59   61   64   67 
LCS_GDT     L   197_B     L   197_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   44   51   59   61   65   71 
LCS_GDT     R   198_B     R   198_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   47   54   60   65 
LCS_GDT     R   199_B     R   199_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   46   47   59 
LCS_GDT     K   200_B     K   200_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   51   59   61   64   67 
LCS_GDT     V   201_B     V   201_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   44   51   59   61   64   67 
LCS_GDT     G   202_B     G   202_B     29   34   44     24   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   46   47   49 
LCS_GDT     S   203_B     S   203_B     29   34   44     19   27   27   29   31   32   33   33   34   35   35   36   38   39   40   41   44   46   47   49 
LCS_GDT     L   204_B     L   204_B     29   34   44      4    4    4   12   31   32   33   33   34   35   35   36   38   39   40   41   44   56   57   60 
LCS_GDT     E   205_B     E   205_B      4   34   44      4    4    4    5    6    7    8   15   21   34   35   39   41   41   44   47   50   56   57   60 
LCS_GDT     S   206_B     S   206_B      4   32   44      4    4    4    5    6   13   20   26   31   34   35   39   41   41   44   47   50   56   57   60 
LCS_GDT     S   207_B     S   207_B      4    6   44      3    3    4    5    6    7    8   11   25   28   31   32   53   56   58   61   61   62   62   65 
LCS_GDT     G   208_B     G   208_B      4    6   42      0    3    4    4    6    7    7   11   11   12   16   16   20   56   58   61   61   62   62   76 
LCS_GDT     L   209_B     L   209_B      3    5   42      0    3    3    4    5    5    5   38   41   46   49   50   53   56   58   61   64   69   77   82 
LCS_GDT     E   210_B     E   210_B      3    5   42      1    3    3    4    5    6    8   11   11   13   16   16   20   22   24   29   29   41   52   65 
LCS_AVERAGE  LCS_A:  20.55  (  10.71   19.09   31.85 )

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     24     27     40     52     57     59     63     73     82     88     94     97    103    107    109    113    120    124    127    128 
GDT PERCENT_AT  11.59  13.04  19.32  25.12  27.54  28.50  30.43  35.27  39.61  42.51  45.41  46.86  49.76  51.69  52.66  54.59  57.97  59.90  61.35  61.84
GDT RMS_LOCAL    0.28   0.34   1.06   1.29   1.41   1.63   1.88   2.70   3.14   3.38   3.66   3.77   4.23   4.38   4.45   4.91   5.36   5.63   5.72   5.78
GDT RMS_ALL_AT  25.08  25.03  17.72  17.65  17.66  17.52  17.38  16.97  16.68  16.59  16.55  16.48  16.33  16.30  16.35  16.20  16.09  16.03  16.02  16.01

# Checking swapping
#   possible swapping detected:  F     6_B      F     6_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    29_B      D    29_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  Y    56_B      Y    56_B
#   possible swapping detected:  F    88_B      F    88_B
#   possible swapping detected:  F   107_B      F   107_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  F   132_B      F   132_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   194_B      E   194_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    17.016     0    0.060   0.084    19.161    0.000    0.000
LGA    D     5_B      D     5_B    12.860     3    0.194   0.222    14.715    0.000    0.000
LGA    F     6_B      F     6_B    10.439     0    0.145   1.236    11.709    0.000    8.398
LGA    T     7_B      T     7_B    12.574     0    0.569   1.243    17.117    0.000    0.000
LGA    G     8_B      G     8_B    18.162     0    0.367   0.367    21.289    0.000    0.000
LGA    A     9_B      A     9_B    17.897     0    0.012   0.027    20.744    0.000    0.000
LGA    R    10_B      R    10_B    18.907     6    0.049   0.050    23.466    0.000    0.000
LGA    E    11_B      E    11_B    25.556     0    0.020   1.173    29.215    0.000    0.000
LGA    R    12_B      R    12_B    27.647     0    0.061   1.212    33.299    0.000    0.000
LGA    F    13_B      F    13_B    25.942     0    0.047   1.658    29.647    0.000    0.000
LGA    L    14_B      L    14_B    29.940     3    0.123   0.127    34.469    0.000    0.000
LGA    A    15_B      A    15_B    35.595     0    0.062   0.064    39.232    0.000    0.000
LGA    G    16_B      G    16_B    36.510     0    0.091   0.091    37.260    0.000    0.000
LGA    D    17_B      D    17_B    34.230     0    0.503   0.728    34.482    0.000    0.000
LGA    V    18_B      V    18_B    30.279     0    0.619   1.045    31.875    0.000    0.000
LGA    T    19_B      T    19_B    29.603     0    0.681   1.005    33.425    0.000    0.000
LGA    I    20_B      I    20_B    23.736     0    0.619   1.487    25.909    0.000    0.000
LGA    V    21_B      V    21_B    21.371     0    0.510   0.616    23.421    0.000    0.000
LGA    L    22_B      L    22_B    20.777     0    0.217   0.202    21.670    0.000    0.000
LGA    L    23_B      L    23_B    24.190     0    0.139   1.352    25.823    0.000    0.000
LGA    I    24_B      I    24_B    23.832     0    0.194   1.269    25.685    0.000    0.000
LGA    A    25_B      A    25_B    20.099     0    0.162   0.174    21.291    0.000    0.000
LGA    E    26_B      E    26_B    23.646     0    0.020   1.105    26.514    0.000    0.000
LGA    S    27_B      S    27_B    27.629     0    0.068   0.151    29.154    0.000    0.000
LGA    H    28_B      H    28_B    23.849     0    0.526   0.937    26.384    0.000    0.000
LGA    D    29_B      D    29_B    20.775     0    0.246   0.982    23.677    0.000    0.000
LGA    A    30_B      A    30_B    18.726     0    0.597   0.612    19.854    0.000    0.000
LGA    P    31_B      P    31_B    15.375     0    0.550   0.761    15.964    0.000    0.000
LGA    Y    32_B      Y    32_B    11.786     0    0.133   1.110    15.619    0.000    0.000
LGA    R    33_B      R    33_B    14.920     0    0.551   1.318    24.916    0.000    0.000
LGA    L    34_B      L    34_B    15.088     0    0.585   0.614    16.682    0.000    0.000
LGA    A    35_B      A    35_B    14.742     0    0.062   0.067    15.659    0.000    0.000
LGA    N    36_B      N    36_B     8.202     3    0.047   0.052    10.517   13.333    7.262
LGA    P    37_B      P    37_B     6.720     0    0.270   0.470     9.430   18.810   12.381
LGA    E    38_B      E    38_B     1.968     4    0.024   0.026     4.209   59.881   34.709
LGA    D    39_B      D    39_B     1.017     0    0.145   1.147     7.362   80.000   51.845
LGA    P    40_B      P    40_B     5.344     0    0.573   0.810     7.955   36.190   26.463
LGA    E    41_B      E    41_B     4.102     0    0.087   0.809     9.289   45.357   25.608
LGA    A    42_B      A    42_B     3.632     0    0.630   0.567     6.490   35.952   34.000
LGA    D    43_B      D    43_B     7.663     0    0.522   1.393    13.733   12.143    6.131
LGA    L    44_B      L    44_B     6.027     0    0.581   0.480     6.452   17.143   21.071
LGA    S    45_B      S    45_B     6.918     0    0.162   0.616     8.028   13.333   11.349
LGA    D    46_B      D    46_B     6.380     0    0.108   1.098     6.994   16.310   15.774
LGA    E    47_B      E    47_B     7.655     0    0.010   0.789     9.498    9.286    6.931
LGA    Q    48_B      Q    48_B     6.887     0    0.080   0.745    11.371   15.476    8.836
LGA    L    49_B      L    49_B     5.462     0    0.023   0.164     6.175   25.238   26.369
LGA    E    50_B      E    50_B     5.889     4    0.064   0.063     6.574   22.619   11.534
LGA    R    51_B      R    51_B     6.220     0    0.014   1.251    13.968   21.667   10.173
LGA    A    52_B      A    52_B     4.578     0    0.006   0.024     5.280   37.738   36.476
LGA    L    53_B      L    53_B     3.200     0    0.027   0.165     4.743   50.119   46.964
LGA    A    54_B      A    54_B     4.111     0    0.032   0.034     5.013   43.452   40.000
LGA    A    55_B      A    55_B     3.490     0    0.035   0.041     3.910   51.905   50.190
LGA    Y    56_B      Y    56_B     2.067     0    0.009   1.314     8.460   66.905   47.778
LGA    L    57_B      L    57_B     2.011     0    0.035   0.367     3.413   68.810   62.083
LGA    T    58_B      T    58_B     2.104     0    0.047   1.194     4.460   68.810   65.714
LGA    L    59_B      L    59_B     2.278     0    0.064   1.384     6.917   62.857   49.107
LGA    V    60_B      V    60_B     2.266     0    0.026   1.181     3.928   62.857   59.524
LGA    E    61_B      E    61_B     1.965     0    0.016   1.128     5.759   66.786   55.608
LGA    T    62_B      T    62_B     2.398     0    0.068   1.289     4.329   62.857   61.020
LGA    L    63_B      L    63_B     2.614     0    0.097   0.395     3.784   55.357   54.524
LGA    F    64_B      F    64_B     2.722     0    0.028   1.004     4.608   62.857   52.511
LGA    P    65_B      P    65_B     1.522     0    0.013   0.326     1.958   77.143   76.531
LGA    E    66_B      E    66_B     1.936     0    0.049   0.994     3.515   70.833   65.979
LGA    L    67_B      L    67_B     2.228     0    0.045   1.337     6.254   66.786   57.202
LGA    Y    68_B      Y    68_B     1.667     0    0.070   0.090     2.818   77.143   67.024
LGA    A    69_B      A    69_B     1.339     0    0.029   0.034     1.667   77.143   78.000
LGA    E    70_B      E    70_B     2.043     0    0.017   0.371     3.276   68.810   62.381
LGA    M    71_B      M    71_B     1.906     0    0.044   0.880     2.335   72.857   71.905
LGA    K    72_B      K    72_B     1.347     0    0.043   0.344     4.321   81.429   67.725
LGA    A    73_B      A    73_B     1.578     0    0.058   0.060     1.979   75.000   74.571
LGA    A    74_B      A    74_B     2.663     0    0.076   0.087     3.222   57.262   55.810
LGA    L    75_B      L    75_B     2.042     0    0.112   0.582     4.555   68.810   59.107
LGA    A    76_B      A    76_B     1.378     0    0.044   0.046     1.772   77.143   78.000
LGA    A    77_B      A    77_B     2.691     0    0.103   0.115     3.191   57.262   55.810
LGA    A    78_B      A    78_B     2.327     0    0.075   0.098     2.327   64.762   64.762
LGA    K    79_B      K    79_B     1.691     0    0.030   1.019     3.795   75.000   62.910
LGA    T    80_B      T    80_B     1.498     0    0.043   0.883     2.695   75.000   74.286
LGA    P    81_B      P    81_B     2.278     0    0.020   0.052     2.527   64.762   64.830
LGA    E    82_B      E    82_B     1.821     4    0.018   0.019     1.861   72.857   40.476
LGA    E    83_B      E    83_B     1.578     4    0.037   0.052     1.664   75.000   41.429
LGA    K    84_B      K    84_B     1.814     0    0.093   0.513     2.759   72.857   69.312
LGA    I    85_B      I    85_B     1.763     0    0.052   0.584     2.692   72.857   70.893
LGA    A    86_B      A    86_B     1.710     0    0.111   0.112     1.925   72.857   72.857
LGA    V    87_B      V    87_B     2.392     0    0.138   0.151     2.439   66.786   65.918
LGA    F    88_B      F    88_B     2.158     0    0.230   1.162     6.589   54.048   49.134
LGA    R    89_B      R    89_B     1.738     0    0.123   1.233     7.555   68.810   52.944
LGA    E    90_B      E    90_B     2.287     0    0.034   0.936     6.358   64.762   50.635
LGA    Y    91_B      Y    91_B     2.379     0    0.071   1.190    14.163   64.762   28.611
LGA    N    92_B      N    92_B     2.254     0    0.051   0.916     4.655   68.810   59.762
LGA    A    93_B      A    93_B     1.457     0    0.037   0.044     1.807   79.286   79.714
LGA    R    94_B      R    94_B     0.959     0    0.051   1.212     5.208   88.214   74.026
LGA    F    95_B      F    95_B     0.734     0    0.020   0.616     2.163   90.476   84.978
LGA    L    96_B      L    96_B     1.457     0    0.044   0.451     2.860   79.286   74.167
LGA    A    97_B      A    97_B     1.021     0    0.031   0.041     1.113   83.690   85.048
LGA    E    98_B      E    98_B     0.749     0    0.036   0.306     1.649   85.952   83.492
LGA    F    99_B      F    99_B     1.690     0    0.018   1.232     6.519   72.976   52.554
LGA    D   100_B      D   100_B     1.875     0    0.032   0.346     2.624   72.857   68.869
LGA    A   101_B      A   101_B     1.351     0    0.033   0.035     1.941   77.143   78.000
LGA    L   102_B      L   102_B     1.682     0    0.013   1.239     3.116   72.857   69.107
LGA    I   103_B      I   103_B     1.911     0    0.016   0.765     2.071   70.833   71.845
LGA    D   104_B      D   104_B     2.149     0    0.013   0.359     2.777   66.786   64.821
LGA    Q   105_B      Q   105_B     2.154     0    0.047   1.110     4.618   64.762   59.471
LGA    A   106_B      A   106_B     2.028     0    0.029   0.034     2.299   66.786   68.000
LGA    F   107_B      F   107_B     2.751     0    0.078   0.791     3.644   55.357   52.035
LGA    A   108_B      A   108_B     3.164     0    0.048   0.059     3.203   51.786   51.429
LGA    R   109_B      R   109_B     2.890     0    0.022   1.047     5.305   55.357   53.766
LGA    L   110_B      L   110_B     2.980     3    0.162   0.155     3.028   55.357   33.929
LGA    K   111_B      K   111_B     3.911     2    0.073   0.498     4.356   40.238   33.810
LGA    A   112_B      A   112_B     5.533     0    0.092   0.099     6.059   22.857   23.524
LGA    D   113_B      D   113_B     7.590     0    0.021   0.268     9.137    7.262    5.893
LGA    S   114_B      S   114_B     8.466     0    0.683   0.910    10.107    4.762    3.651
LGA    L   115_B      L   115_B     9.181     0    0.109   0.502    11.597    1.071    6.845
LGA    T   116_B      T   116_B    12.841     0    0.045   0.058    15.511    0.000    0.000
LGA    L   117_B      L   117_B    14.154     0    0.054   1.287    16.937    0.000    0.000
LGA    K   118_B      K   118_B    18.601     0    0.081   0.346    19.661    0.000    0.000
LGA    I   119_B      I   119_B    20.822     0    0.048   0.556    23.350    0.000    0.000
LGA    H   120_B      H   120_B    24.770     0    0.076   0.110    25.584    0.000    0.000
LGA    L   121_B      L   121_B    26.842     0    0.042   1.435    29.317    0.000    0.000
LGA    S   122_B      S   122_B    30.201     0    0.067   0.569    32.071    0.000    0.000
LGA    Q   123_B      Q   123_B    32.046     4    0.537   0.520    33.738    0.000    0.000
LGA    G   124_B      G   124_B    30.457     0    0.653   0.653    31.347    0.000    0.000
LGA    K   125_B      K   125_B    27.207     4    0.084   0.104    29.056    0.000    0.000
LGA    G   126_B      G   126_B    24.435     0    0.080   0.080    24.851    0.000    0.000
LGA    S   127_B      S   127_B    21.792     0    0.044   0.113    23.178    0.000    0.000
LGA    Y   128_B      Y   128_B    17.929     0    0.084   1.089    19.200    0.000    0.000
LGA    E   129_B      E   129_B    16.263     0    0.089   0.295    19.720    0.000    0.000
LGA    I   130_B      I   130_B    12.113     0    0.116   1.264    13.519    0.000    0.595
LGA    I   131_B      I   131_B    11.507     0    0.054   0.623    15.337    0.238    0.119
LGA    F   132_B      F   132_B     7.946     0    0.039   0.240     9.288    5.119    7.965
LGA    P   133_B      P   133_B     6.596     0    0.065   0.190     6.915   17.381   17.891
LGA    P   134_B      P   134_B     4.991     0    0.027   0.051     5.713   32.976   29.456
LGA    E   135_B      E   135_B     3.714     4    0.062   0.068     4.177   41.786   23.386
LGA    V   136_B      V   136_B     4.124     0    0.125   0.285     4.592   37.262   36.395
LGA    Q   137_B      Q   137_B     5.904     4    0.054   0.067     6.539   21.548   11.058
LGA    A   138_B      A   138_B     4.659     0    0.105   0.109     4.860   32.857   34.952
LGA    D   139_B      D   139_B     4.115     0    0.054   0.198     4.766   35.714   39.583
LGA    P   140_B      P   140_B     6.323     0    0.035   0.157     7.348   17.262   15.170
LGA    E   141_B      E   141_B     6.247     0    0.036   0.695     9.646   21.667   14.021
LGA    R   142_B      R   142_B     3.495     0    0.039   1.082     4.388   40.357   51.212
LGA    A   143_B      A   143_B     5.382     0    0.013   0.033     6.268   22.976   21.810
LGA    A   144_B      A   144_B     7.223     0    0.010   0.016     7.929   12.619   11.524
LGA    A   145_B      A   145_B     5.182     0    0.022   0.024     5.721   27.619   29.524
LGA    I   146_B      I   146_B     4.485     0    0.022   0.339     5.788   29.286   32.500
LGA    E   147_B      E   147_B     7.600     0    0.035   0.637     9.926    9.643    5.450
LGA    A   148_B      A   148_B     7.417     0    0.022   0.028     7.417   11.667   11.333
LGA    L   149_B      L   149_B     5.303     0    0.043   1.353     5.912   22.619   36.607
LGA    W   150_B      W   150_B     6.809     0    0.034   1.120    10.645   10.595   11.667
LGA    K   151_B      K   151_B     9.326     4    0.035   0.032     9.956    2.024    0.952
LGA    P   152_B      P   152_B     8.070     0    0.127   0.195     8.279    5.357    7.823
LGA    T   153_B      T   153_B     7.207     0    0.052   1.148     8.632    6.905    8.980
LGA    L   154_B      L   154_B    10.044     0    0.036   1.313    13.489    0.714    0.417
LGA    D   155_B      D   155_B    10.363     0    0.017   0.114    11.482    0.119    0.060
LGA    Q   156_B      Q   156_B     8.324     0    0.063   0.979     9.476    2.976    5.397
LGA    L   157_B      L   157_B    10.269     0    0.028   0.141    11.908    0.119    0.060
LGA    L   158_B      L   158_B    12.775     0    0.021   0.942    15.934    0.000    0.000
LGA    A   159_B      A   159_B    10.916     0    0.021   0.031    11.345    0.000    0.095
LGA    V   160_B      V   160_B     9.866     0    0.013   0.179    11.397    0.119    1.361
LGA    L   161_B      L   161_B    13.249     0    0.014   0.256    14.420    0.000    0.000
LGA    Q   162_B      Q   162_B    14.206     0    0.009   0.692    15.012    0.000    0.000
LGA    E   163_B      E   163_B    12.070     3    0.098   0.550    12.625    0.000    0.159
LGA    K   164_B      K   164_B    13.585     4    0.037   0.070    15.356    0.000    0.000
LGA    H   165_B      H   165_B    16.779     0    0.165   0.815    18.334    0.000    0.000
LGA    K   166_B      K   166_B    15.900     2    0.636   0.760    17.009    0.000    0.000
LGA    G   167_B      G   167_B    20.675     0    0.094   0.094    21.995    0.000    0.000
LGA    K   168_B      K   168_B    21.568     0    0.137   0.891    22.120    0.000    0.000
LGA    P   169_B      P   169_B    22.978     0    0.389   0.395    23.657    0.000    0.000
LGA    A   170_B      A   170_B    25.055     0    0.155   0.167    26.113    0.000    0.000
LGA    T   171_B      T   171_B    22.325     0    0.624   1.211    23.548    0.000    0.000
LGA    T   172_B      T   172_B    21.728     0    0.565   0.721    25.569    0.000    0.000
LGA    V   173_B      V   173_B    16.488     0    0.142   0.268    18.619    0.000    0.000
LGA    T   174_B      T   174_B    14.337     0    0.038   0.134    16.364    0.000    0.000
LGA    Y   175_B      Y   175_B    11.023     0    0.065   1.253    14.553    0.000   16.627
LGA    E   176_B      E   176_B    13.653     0    0.039   1.123    14.939    0.000    0.000
LGA    I   177_B      I   177_B    15.828     0    0.119   0.982    20.354    0.000    0.000
LGA    S   178_B      S   178_B    21.620     0    0.093   0.170    22.771    0.000    0.000
LGA    A   179_B      A   179_B    26.641     0    0.074   0.085    29.590    0.000    0.000
LGA    E   180_B      E   180_B    26.426     0    0.029   1.170    29.701    0.000    0.000
LGA    T   181_B      T   181_B    19.450     0    0.034   1.155    21.783    0.000    0.000
LGA    L   182_B      L   182_B    19.430     0    0.019   0.421    20.955    0.000    0.000
LGA    R   183_B      R   183_B    25.027     0    0.010   1.278    35.484    0.000    0.000
LGA    A   184_B      A   184_B    23.209     0    0.016   0.017    23.505    0.000    0.000
LGA    A   185_B      A   185_B    16.909     0    0.017   0.024    18.984    0.000    0.000
LGA    V   186_B      V   186_B    19.568     0    0.031   0.101    21.761    0.000    0.000
LGA    A   187_B      A   187_B    24.975     0    0.008   0.016    26.980    0.000    0.000
LGA    A   188_B      A   188_B    21.638     0    0.029   0.032    22.278    0.000    0.000
LGA    L   189_B      L   189_B    17.506     0    0.082   1.224    19.308    0.000    0.000
LGA    A   190_B      A   190_B    22.900     0    0.023   0.027    25.026    0.000    0.000
LGA    R   191_B      R   191_B    27.185     0    0.042   1.000    32.353    0.000    0.000
LGA    A   192_B      A   192_B    23.185     0    0.040   0.041    23.992    0.000    0.000
LGA    A   193_B      A   193_B    21.214     0    0.014   0.017    23.758    0.000    0.000
LGA    E   194_B      E   194_B    27.927     0    0.041   1.000    35.783    0.000    0.000
LGA    A   195_B      A   195_B    30.099     0    0.016   0.016    30.704    0.000    0.000
LGA    A   196_B      A   196_B    25.701     0    0.020   0.020    27.194    0.000    0.000
LGA    L   197_B      L   197_B    26.895     0    0.059   1.324    30.074    0.000    0.000
LGA    R   198_B      R   198_B    33.996     0    0.031   1.568    41.556    0.000    0.000
LGA    R   199_B      R   199_B    34.329     0    0.008   0.984    39.653    0.000    0.000
LGA    K   200_B      K   200_B    30.329     0    0.030   0.834    32.717    0.000    0.000
LGA    V   201_B      V   201_B    33.932     0    0.089   1.275    37.355    0.000    0.000
LGA    G   202_B      G   202_B    40.200     0    0.272   0.272    42.452    0.000    0.000
LGA    S   203_B      S   203_B    38.655     1    0.512   0.528    38.655    0.000    0.000
LGA    L   204_B      L   204_B    37.251     3    0.263   0.277    37.830    0.000    0.000
LGA    E   205_B      E   205_B    37.302     4    0.364   0.355    37.657    0.000    0.000
LGA    S   206_B      S   206_B    38.128     1    0.028   0.027    38.841    0.000    0.000
LGA    S   207_B      S   207_B    33.111     0    0.619   0.836    34.819    0.000    0.000
LGA    G   208_B      G   208_B    32.501     0    0.591   0.591    32.544    0.000    0.000
LGA    L   209_B      L   209_B    26.131     3    0.599   0.551    28.179    0.000    0.000
LGA    E   210_B      E   210_B    27.854     4    0.368   0.389    28.732    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    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    15.209         15.180                 15.074           24.160   21.750

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     73    2.70    32.005    29.930     2.609

LGA_LOCAL      RMSD:   2.698  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.967  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  15.209  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.633913 * X  +   0.215791 * Y  +   0.742690 * Z  +  -5.573190
  Y_new =   0.663075 * X  +   0.645938 * Y  +   0.378280 * Z  +  -8.385692
  Z_new =  -0.398102 * X  +   0.732256 * Y  +  -0.552554 * Z  +   6.671260 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.333714  0.409446  2.217230   [DEG:  133.7120   23.4596  127.0379 ]
ZXZ:  2.041886  2.156222 -0.497966   [DEG:  116.9915  123.5424  -28.5314 ]
 
# END of job
