
#######################################################
#                                                     #
#                        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:    79      33_B - 111_B       4.91    24.08
  LONGEST_CONTINUOUS_SEGMENT:    79      34_B - 112_B       4.95    23.97
  LCS_AVERAGE:     28.71

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      50_B - 110_B       1.94    23.91
  LONGEST_CONTINUOUS_SEGMENT:    61      51_B - 111_B       1.88    23.65
  LCS_AVERAGE:     17.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      55_B - 104_B       1.00    24.09
  LONGEST_CONTINUOUS_SEGMENT:    50      56_B - 105_B       0.95    23.87
  LONGEST_CONTINUOUS_SEGMENT:    50      57_B - 106_B       0.96    23.68
  LONGEST_CONTINUOUS_SEGMENT:    50      58_B - 107_B       0.99    23.45
  LCS_AVERAGE:     12.54

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    7   16      0    3    5    6    8    9   10   12   13   17   19   20   20   21   27   35   42   45   48   53 
LCS_GDT     D     5_B     D     5_B      4    7   26      0    3    5    6    8    9   10   12   14   17   19   20   23   27   33   38   42   47   56   62 
LCS_GDT     F     6_B     F     6_B      4   11   26      3    4    5    6    9   10   12   31   32   34   34   35   37   39   40   41   43   52   55   63 
LCS_GDT     T     7_B     T     7_B      4   11   26      3    4    5    6    8   10   11   13   14   17   19   20   24   29   38   41   43   51   59   65 
LCS_GDT     G     8_B     G     8_B      9   11   26      5    9    9    9   10   11   12   13   14   17   19   20   24   31   39   43   49   53   63   72 
LCS_GDT     A     9_B     A     9_B      9   11   26      8    9    9    9   10   12   16   17   26   31   31   34   37   42   51   56   65   74   81   88 
LCS_GDT     R    10_B     R    10_B      9   11   26      8    9    9    9   10   15   18   26   29   31   32   42   50   59   72   78   83   88   92   96 
LCS_GDT     E    11_B     E    11_B      9   11   26      8    9    9    9   10   12   13   15   18   20   27   31   44   56   66   73   81   88   92   95 
LCS_GDT     R    12_B     R    12_B      9   11   26      8    9    9    9   10   14   18   25   34   46   56   62   72   80   84   88   90   92   93   96 
LCS_GDT     F    13_B     F    13_B      9   11   26      8    9    9   15   17   23   29   35   45   61   68   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    14_B     L    14_B      9   11   26      8    9    9    9   10   11   14   26   33   42   61   71   77   80   85   88   90   92   93   96 
LCS_GDT     A    15_B     A    15_B      9   11   26      8    9    9    9   10   11   12   15   18   23   38   55   60   65   71   78   88   91   93   96 
LCS_GDT     G    16_B     G    16_B      9   15   26      8    9    9   11   14   22   35   47   60   65   68   72   77   80   82   86   90   92   93   96 
LCS_GDT     D    17_B     D    17_B      8   15   26      4    6    9   13   13   17   43   57   61   67   71   76   80   81   85   88   90   92   93   96 
LCS_GDT     V    18_B     V    18_B     12   15   26      4    5    9   13   13   17   46   57   63   67   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     T    19_B     T    19_B     12   15   26      4    7   11   13   24   31   49   57   63   67   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     I    20_B     I    20_B     12   15   26      7   10   11   13   14   22   28   33   58   64   69   76   80   81   85   88   90   92   93   96 
LCS_GDT     V    21_B     V    21_B     12   15   26      7   10   11   13   24   31   49   57   63   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    22_B     L    22_B     12   15   26      4   10   11   13   13   26   33   52   60   67   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    23_B     L    23_B     12   15   26      7   10   11   13   15   22   28   33   44   55   68   76   80   81   85   88   90   92   93   96 
LCS_GDT     I    24_B     I    24_B     12   15   26      7   10   11   13   15   22   28   38   46   57   68   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    25_B     A    25_B     12   15   26      7   10   11   13   14   22   28   41   53   59   68   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    26_B     E    26_B     12   15   26      7   10   11   13   13   17   24   33   37   52   58   64   69   80   85   88   90   92   93   96 
LCS_GDT     S    27_B     S    27_B     12   15   26      7   10   11   13   14   17   28   33   37   42   48   55   64   70   80   85   89   91   93   96 
LCS_GDT     H    28_B     H    28_B     12   15   26      7   10   11   13   14   18   24   33   35   41   48   60   68   73   80   85   89   91   93   96 
LCS_GDT     D    29_B     D    29_B     12   15   26      7   10   11   13   13   16   20   29   33   41   45   60   68   73   80   85   89   91   93   95 
LCS_GDT     A    30_B     A    30_B      3   15   26      3    3    3    4   10   22   28   33   37   42   48   57   65   70   80   88   90   92   93   96 
LCS_GDT     P    31_B     P    31_B      4    5   23      1    4    8   11   15   22   28   33   37   42   48   58   69   80   85   88   90   92   93   96 
LCS_GDT     Y    32_B     Y    32_B      4    5   78      3    4    4    5    5    8   14   28   35   42   48   55   69   80   85   88   90   92   93   96 
LCS_GDT     R    33_B     R    33_B      4    5   79      3    4    4    5    6    8   15   20   30   44   56   63   72   80   85   88   90   92   93   96 
LCS_GDT     L    34_B     L    34_B      4    9   79      3    3    5    6    7   10   15   26   40   50   58   63   72   80   85   88   90   92   93   96 
LCS_GDT     A    35_B     A    35_B      5    9   79      4    5    6    7    8   10   22   30   40   49   58   63   73   80   85   88   90   92   93   96 
LCS_GDT     N    36_B     N    36_B      5    9   79      4    5    6    9   10   14   20   28   47   61   68   76   80   81   85   88   90   92   93   96 
LCS_GDT     P    37_B     P    37_B      5    9   79      4    5    6    7    8   10   11   13   15   20   27   34   41   56   74   82   88   90   93   96 
LCS_GDT     E    38_B     E    38_B      6    9   79      4    5    6    7    8   10   11   13   14   16   19   24   30   39   52   63   73   77   87   92 
LCS_GDT     D    39_B     D    39_B      6    9   79      3    5    6    7    8   10   11   13   16   21   27   37   55   67   80   81   88   91   93   96 
LCS_GDT     P    40_B     P    40_B      6    9   79      3    5    6    7    8   10   11   13   15   16   22   29   38   51   68   82   88   91   93   96 
LCS_GDT     E    41_B     E    41_B      6    9   79      3    5    6    7    8   10   11   13   15   17   23   33   73   77   80   84   89   92   93   96 
LCS_GDT     A    42_B     A    42_B      6   32   79      4    5   12   31   39   46   56   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     D    43_B     D    43_B     23   32   79      4    4   11   23   31   35   42   51   56   63   68   74   79   81   85   88   90   92   93   96 
LCS_GDT     L    44_B     L    44_B     25   32   79     11   23   29   34   38   44   49   57   63   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     S    45_B     S    45_B     25   32   79     11   24   29   34   38   44   49   57   63   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     D    46_B     D    46_B     25   32   79     16   24   29   34   38   44   49   57   63   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    47_B     E    47_B     25   54   79     16   24   29   34   38   44   49   57   63   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     Q    48_B     Q    48_B     25   59   79     16   24   29   34   38   44   53   60   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    49_B     L    49_B     25   60   79     16   24   29   34   38   44   55   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    50_B     E    50_B     25   61   79     16   24   29   34   38   44   55   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     R    51_B     R    51_B     25   61   79     16   24   29   34   40   50   57   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    52_B     A    52_B     25   61   79     16   24   29   34   42   54   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    53_B     L    53_B     25   61   79     16   24   29   34   49   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    54_B     A    54_B     47   61   79     16   24   29   34   50   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    55_B     A    55_B     50   61   79     16   24   32   46   52   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     Y    56_B     Y    56_B     50   61   79     16   24   44   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    57_B     L    57_B     50   61   79     16   24   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     T    58_B     T    58_B     50   61   79     16   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    59_B     L    59_B     50   61   79     16   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     V    60_B     V    60_B     50   61   79     16   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    61_B     E    61_B     50   61   79     11   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     T    62_B     T    62_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    63_B     L    63_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     F    64_B     F    64_B     50   61   79     15   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     P    65_B     P    65_B     50   61   79     29   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    66_B     E    66_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    67_B     L    67_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     Y    68_B     Y    68_B     50   61   79     24   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    69_B     A    69_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    70_B     E    70_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     M    71_B     M    71_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     K    72_B     K    72_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    73_B     A    73_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    74_B     A    74_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    75_B     L    75_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    76_B     A    76_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    77_B     A    77_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    78_B     A    78_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     K    79_B     K    79_B     50   61   79     19   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     T    80_B     T    80_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     P    81_B     P    81_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    82_B     E    82_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    83_B     E    83_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     K    84_B     K    84_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     I    85_B     I    85_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    86_B     A    86_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     V    87_B     V    87_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     F    88_B     F    88_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     R    89_B     R    89_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    90_B     E    90_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     Y    91_B     Y    91_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     N    92_B     N    92_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    93_B     A    93_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     R    94_B     R    94_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     F    95_B     F    95_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L    96_B     L    96_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A    97_B     A    97_B     50   61   79     28   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     E    98_B     E    98_B     50   61   79     30   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     F    99_B     F    99_B     50   61   79     31   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     D   100_B     D   100_B     50   61   79     11   43   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A   101_B     A   101_B     50   61   79     11   40   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     L   102_B     L   102_B     50   61   79     18   41   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     I   103_B     I   103_B     50   61   79     18   39   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     D   104_B     D   104_B     50   61   79     11   32   47   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     Q   105_B     Q   105_B     50   61   79     11   33   46   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A   106_B     A   106_B     50   61   79     11   33   44   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     F   107_B     F   107_B     50   61   79     11   28   41   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     A   108_B     A   108_B     47   61   79     11   19   36   51   54   57   59   62   65   70   73   76   80   81   85   88   90   92   93   96 
LCS_GDT     R   109_B     R   109_B     23   61   79     11   19   35   50   54   57   59   62   65   70   73   75   80   81   84   88   90   92   93   96 
LCS_GDT     L   110_B     L   110_B     22   61   79     11   19   35   49   54   57   59   61   65   70   73   74   80   81   82   88   90   92   93   95 
LCS_GDT     K   111_B     K   111_B     22   61   79     11   14   23   40   53   57   59   61   65   70   73   74   80   81   84   88   90   92   93   95 
LCS_GDT     A   112_B     A   112_B      4   60   79      3    3    5    9   16   32   49   54   58   59   63   65   68   73   80   85   89   91   93   95 
LCS_GDT     D   113_B     D   113_B      4   54   78      3    3    7   10   12   18   22   23   24   29   35   44   49   53   68   85   89   91   93   95 
LCS_GDT     S   114_B     S   114_B      9   10   78      3    4    7   10   14   18   22   23   25   29   39   50   59   64   68   72   78   90   93   95 
LCS_GDT     L   115_B     L   115_B      9   10   78      4    8    8   13   17   20   22   24   37   42   44   47   53   60   65   69   78   84   87   91 
LCS_GDT     T   116_B     T   116_B      9   10   78      4    8    8   13   23   29   33   41   43   45   46   48   58   61   64   72   78   84   87   91 
LCS_GDT     L   117_B     L   117_B      9   14   77      4    8   10   17   26   29   33   41   43   45   46   48   50   52   60   66   75   84   87   91 
LCS_GDT     K   118_B     K   118_B      9   14   73      4    8    8   13   17   20   28   31   33   37   45   47   52   57   60   67   76   84   87   91 
LCS_GDT     I   119_B     I   119_B      9   14   69      4    8    8   10   22   26   28   30   33   34   38   44   49   52   59   63   70   80   86   91 
LCS_GDT     H   120_B     H   120_B      9   14   44      4    8    8   13   17   24   28   30   32   34   36   44   49   52   57   62   70   78   86   91 
LCS_GDT     L   121_B     L   121_B      9   14   44      4    8    8   13   17   24   27   30   32   33   35   44   49   52   57   62   70   78   86   91 
LCS_GDT     S   122_B     S   122_B      9   14   43      3    8    8   13   17   23   27   30   32   33   35   44   49   52   57   62   69   76   83   87 
LCS_GDT     Q   123_B     Q   123_B      3   14   42      3    3    7   13   17   20   22   25   28   32   34   44   49   51   57   61   69   76   78   86 
LCS_GDT     G   124_B     G   124_B      4   15   41      3    4   11   12   17   20   22   23   24   26   30   32   38   46   51   55   64   69   74   79 
LCS_GDT     K   125_B     K   125_B     10   15   41      3    6    8   13   17   20   22   23   24   26   28   32   38   46   51   55   64   69   78   82 
LCS_GDT     G   126_B     G   126_B     10   15   41      3    9   11   13   17   20   22   23   24   26   30   38   43   46   55   61   69   76   78   86 
LCS_GDT     S   127_B     S   127_B     10   15   48      4    9   11   13   17   20   22   23   24   27   32   38   43   51   57   62   69   76   83   88 
LCS_GDT     Y   128_B     Y   128_B     10   15   50      4    9   11   12   17   20   22   23   26   32   37   44   52   59   65   70   78   84   87   91 
LCS_GDT     E   129_B     E   129_B     10   15   56      4    9   11   13   17   20   22   24   29   37   46   53   61   66   71   75   79   84   87   92 
LCS_GDT     I   130_B     I   130_B     10   29   57      4    9   11   12   17   25   35   45   53   59   60   63   68   72   75   84   87   90   93   95 
LCS_GDT     I   131_B     I   131_B     10   34   57      4    9   11   13   20   26   39   52   57   59   61   63   68   73   80   85   89   91   93   95 
LCS_GDT     F   132_B     F   132_B     18   40   57      4    9   30   39   54   56   58   60   62   64   66   70   71   75   80   85   89   91   93   95 
LCS_GDT     P   133_B     P   133_B     25   40   57      5   14   25   27   31   37   39   43   43   63   66   70   71   73   80   85   89   91   93   95 
LCS_GDT     P   134_B     P   134_B     25   40   57      6   14   25   27   35   37   40   43   43   45   46   48   51   54   68   76   79   91   93   94 
LCS_GDT     E   135_B     E   135_B     25   40   57      6   14   25   27   35   37   39   43   55   55   61   64   67   71   75   80   89   91   93   94 
LCS_GDT     V   136_B     V   136_B     25   40   57     24   41   46   49   52   55   59   60   63   65   68   70   72   75   80   85   89   91   93   95 
LCS_GDT     Q   137_B     Q   137_B     25   40   57      6   14   25   30   35   40   47   58   62   63   66   70   71   73   80   85   89   91   93   95 
LCS_GDT     A   138_B     A   138_B     25   40   57      6   17   25   30   35   37   40   51   55   58   66   70   71   73   75   80   89   91   93   95 
LCS_GDT     D   139_B     D   139_B     25   40   57      6   18   43   47   50   52   56   58   61   64   67   70   72   75   80   85   89   91   93   95 
LCS_GDT     P   140_B     P   140_B     25   40   57      9   18   25   30   35   37   40   57   62   63   66   70   72   75   80   85   89   91   93   95 
LCS_GDT     E   141_B     E   141_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   60   69   73   80   85   89   91   93   95 
LCS_GDT     R   142_B     R   142_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   48   69   73   79   85   89   91   93   95 
LCS_GDT     A   143_B     A   143_B     25   40   57      9   18   25   30   35   37   40   43   43   49   57   61   65   72   80   85   87   91   93   95 
LCS_GDT     A   144_B     A   144_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   48   58   59   62   69   78   84   88   93 
LCS_GDT     A   145_B     A   145_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   48   50   52   53   56   63   75   78   88 
LCS_GDT     I   146_B     I   146_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   48   50   52   53   58   66   73   81   90 
LCS_GDT     E   147_B     E   147_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   48   50   52   53   58   63   71   78   88 
LCS_GDT     A   148_B     A   148_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   68   75 
LCS_GDT     L   149_B     L   149_B     25   40   57      9   18   25   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     W   150_B     W   150_B     25   40   57      7   19   25   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     K   151_B     K   151_B     25   40   57      7   19   25   28   32   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     P   152_B     P   152_B     25   40   57      4   18   25   28   33   37   40   43   43   45   46   48   50   52   53   55   57   61   63   68 
LCS_GDT     T   153_B     T   153_B     25   40   57     12   19   25   28   35   37   40   43   43   45   46   48   50   52   53   55   57   61   63   69 
LCS_GDT     L   154_B     L   154_B     25   40   57     12   19   25   28   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     D   155_B     D   155_B     25   40   57      9   19   25   28   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     Q   156_B     Q   156_B     25   40   57     12   19   25   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   63   68 
LCS_GDT     L   157_B     L   157_B     25   40   57     12   19   25   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     L   158_B     L   158_B     25   40   57     12   19   25   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     A   159_B     A   159_B     25   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   63   68 
LCS_GDT     V   160_B     V   160_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   63   65 
LCS_GDT     L   161_B     L   161_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     Q   162_B     Q   162_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     E   163_B     E   163_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   63   65 
LCS_GDT     K   164_B     K   164_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   63   65 
LCS_GDT     H   165_B     H   165_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     K   166_B     K   166_B     23   40   57      9   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   63   65 
LCS_GDT     G   167_B     G   167_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     K   168_B     K   168_B     23   40   57     12   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     P   169_B     P   169_B     23   40   57      7   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     A   170_B     A   170_B     23   40   57      4   19   24   30   35   37   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     T   171_B     T   171_B     23   40   57      3    4   17   23   26   32   40   43   43   45   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     T   172_B     T   172_B     23   39   57      4   14   21   23   26   31   38   43   43   45   46   48   50   52   53   55   58   61   68   75 
LCS_GDT     V   173_B     V   173_B     21   37   57      4    7    8   11   23   28   33   39   43   44   46   48   50   52   53   55   57   61   64   69 
LCS_GDT     T   174_B     T   174_B      8   30   57      4    7    8   11   20   24   27   29   32   36   40   45   47   50   52   55   56   60   63   67 
LCS_GDT     Y   175_B     Y   175_B      8   30   57      4    7    8   10   15   22   29   31   32   35   39   42   47   49   52   55   56   58   58   61 
LCS_GDT     E   176_B     E   176_B      8   30   57      4    7    8   12   23   28   29   31   32   34   34   36   39   41   44   50   56   58   58   61 
LCS_GDT     I   177_B     I   177_B     27   30   57      4   19   27   27   27   28   29   31   32   34   34   37   40   42   47   52   56   58   58   61 
LCS_GDT     S   178_B     S   178_B     27   30   57      9   22   27   27   27   28   29   31   32   34   34   36   37   39   43   44   47   50   56   59 
LCS_GDT     A   179_B     A   179_B     27   30   57      6   22   27   27   27   28   29   31   32   34   34   37   40   42   48   52   56   58   58   61 
LCS_GDT     E   180_B     E   180_B     27   30   57     13   22   27   27   27   28   29   31   32   35   39   41   43   48   51   54   56   58   58   61 
LCS_GDT     T   181_B     T   181_B     27   30   57     15   23   27   27   27   28   29   31   32   34   39   42   47   50   52   55   56   58   58   61 
LCS_GDT     L   182_B     L   182_B     27   30   57     15   23   27   27   27   33   40   43   43   45   46   47   50   52   53   55   56   58   58   61 
LCS_GDT     R   183_B     R   183_B     27   30   57     15   23   27   27   27   33   40   43   43   45   46   48   50   52   53   55   56   58   58   61 
LCS_GDT     A   184_B     A   184_B     27   30   57     15   23   27   27   27   28   29   31   32   44   46   48   50   52   53   55   56   58   58   61 
LCS_GDT     A   185_B     A   185_B     27   30   57     15   23   27   27   27   28   29   31   32   44   46   48   50   52   53   55   56   58   58   61 
LCS_GDT     V   186_B     V   186_B     27   30   57     15   23   27   27   27   28   29   31   32   34   35   48   50   52   53   55   56   57   58   61 
LCS_GDT     A   187_B     A   187_B     27   30   40     15   23   27   27   27   28   29   31   32   34   39   46   50   52   53   55   56   57   58   61 
LCS_GDT     A   188_B     A   188_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   43   48   54   56   58   59 
LCS_GDT     L   189_B     L   189_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   48   53   59 
LCS_GDT     A   190_B     A   190_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   51   56 
LCS_GDT     R   191_B     R   191_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   47   54 
LCS_GDT     A   192_B     A   192_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     A   193_B     A   193_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     E   194_B     E   194_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     A   195_B     A   195_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     A   196_B     A   196_B     27   30   40     15   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     L   197_B     L   197_B     27   30   40     14   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     R   198_B     R   198_B     27   30   40     14   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     R   199_B     R   199_B     27   30   40     14   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     K   200_B     K   200_B     27   30   40     13   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     V   201_B     V   201_B     27   30   40     11   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     G   202_B     G   202_B     27   30   40     11   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     S   203_B     S   203_B     27   30   40     11   23   27   27   27   28   29   31   32   34   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     L   204_B     L   204_B     24   30   40      4    4    4   11   17   28   29   31   31   33   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     E   205_B     E   205_B      4   29   40      4    4    4    4    6    6    7   12   15   23   31   34   37   39   40   41   43   44   46   46 
LCS_GDT     S   206_B     S   206_B      4    6   40      4    4    4    5    6    9   21   28   29   31   34   35   37   39   40   41   43   44   46   46 
LCS_GDT     S   207_B     S   207_B      4    6   40      3    4    4    5    6    7    9   12   26   31   31   34   37   39   40   41   43   44   46   46 
LCS_GDT     G   208_B     G   208_B      4    6   40      3    4    4    5    6    7    7   11   12   14   17   17   19   24   31   33   39   41   42   45 
LCS_GDT     L   209_B     L   209_B      3    6   40      3    3    3    5    5    7    9   11   12   14   17   17   19   26   31   35   39   41   42   45 
LCS_GDT     E   210_B     E   210_B      3    6   40      3    3    3    5    5    6    6   11   11   13   14   16   18   20   21   25   27   32   36   39 
LCS_AVERAGE  LCS_A:  19.67  (  12.54   17.76   28.71 )

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     31     43     47     51     54     57     59     62     65     70     73     76     80     81     85     88     90     92     93     96 
GDT PERCENT_AT  14.98  20.77  22.71  24.64  26.09  27.54  28.50  29.95  31.40  33.82  35.27  36.71  38.65  39.13  41.06  42.51  43.48  44.44  44.93  46.38
GDT RMS_LOCAL    0.31   0.54   0.77   1.01   1.24   1.52   1.62   2.13   2.34   2.86   3.16   3.71   3.93   3.99   4.67   4.78   4.90   5.05   5.15   5.65
GDT RMS_ALL_AT  23.79  24.15  23.81  23.76  23.39  23.71  23.74  24.18  23.98  24.27  24.18  24.30  23.89  23.97  24.04  23.66  23.81  23.78  23.96  24.11

# Checking swapping
#   possible swapping detected:  F     6_B      F     6_B
#   possible swapping detected:  D    17_B      D    17_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    46_B      D    46_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  D   104_B      D   104_B
#   possible swapping detected:  F   107_B      F   107_B
#   possible swapping detected:  E   129_B      E   129_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  D   155_B      D   155_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   180_B      E   180_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    35.587     0    0.058   0.296    37.574    0.000    0.000
LGA    D     5_B      D     5_B    33.186     3    0.168   0.196    34.697    0.000    0.000
LGA    F     6_B      F     6_B    28.070     0    0.026   0.278    30.648    0.000    0.000
LGA    T     7_B      T     7_B    28.742     0    0.600   1.106    32.069    0.000    0.000
LGA    G     8_B      G     8_B    26.564     0    0.323   0.323    27.718    0.000    0.000
LGA    A     9_B      A     9_B    20.732     0    0.021   0.027    23.226    0.000    0.000
LGA    R    10_B      R    10_B    17.444     6    0.015   0.015    19.174    0.000    0.000
LGA    E    11_B      E    11_B    19.962     0    0.004   1.187    27.875    0.000    0.000
LGA    R    12_B      R    12_B    16.212     0    0.036   1.556    22.158    0.000    0.000
LGA    F    13_B      F    13_B    10.059     0    0.017   0.186    12.637    1.310   12.294
LGA    L    14_B      L    14_B    12.780     3    0.096   0.104    14.879    0.000    0.000
LGA    A    15_B      A    15_B    16.226     0    0.095   0.098    17.650    0.000    0.000
LGA    G    16_B      G    16_B    10.626     0    0.119   0.119    11.964    1.071    1.071
LGA    D    17_B      D    17_B     8.715     0    0.434   0.712     9.617    3.214   10.060
LGA    V    18_B      V    18_B     7.901     0    0.161   1.108     9.742    5.357    6.463
LGA    T    19_B      T    19_B     8.784     0    0.103   1.038    10.687    2.381    1.633
LGA    I    20_B      I    20_B    10.264     0    0.026   0.635    11.951    0.595    0.298
LGA    V    21_B      V    21_B     7.474     0    0.078   0.237     8.644    5.595   11.769
LGA    L    22_B      L    22_B     9.228     0    0.044   0.539    11.332    1.548    1.369
LGA    L    23_B      L    23_B    12.708     0    0.089   1.297    17.531    0.000    0.000
LGA    I    24_B      I    24_B    11.421     0    0.043   0.537    12.252    0.000    0.000
LGA    A    25_B      A    25_B    10.535     0    0.080   0.086    13.421    0.000    0.095
LGA    E    26_B      E    26_B    14.572     0    0.040   1.005    17.208    0.000    0.000
LGA    S    27_B      S    27_B    17.137     0    0.014   0.357    18.615    0.000    0.000
LGA    H    28_B      H    28_B    16.180     0    0.111   1.110    17.016    0.000    0.000
LGA    D    29_B      D    29_B    17.715     0    0.231   1.155    19.888    0.000    0.000
LGA    A    30_B      A    30_B    15.436     0    0.435   0.477    15.963    0.000    0.000
LGA    P    31_B      P    31_B    14.364     0    0.654   0.634    15.180    0.000    0.000
LGA    Y    32_B      Y    32_B    15.149     0    0.068   1.053    21.561    0.000    0.000
LGA    R    33_B      R    33_B    16.337     0    0.067   0.669    21.387    0.000    0.000
LGA    L    34_B      L    34_B    15.629     0    0.634   0.832    17.966    0.000    0.000
LGA    A    35_B      A    35_B    16.556     0    0.331   0.336    16.715    0.000    0.000
LGA    N    36_B      N    36_B    12.971     3    0.108   0.118    14.187    0.000    0.000
LGA    P    37_B      P    37_B    17.934     0    0.284   0.360    20.480    0.000    0.000
LGA    E    38_B      E    38_B    16.010     4    0.105   0.107    16.010    0.000    0.000
LGA    D    39_B      D    39_B    11.668     0    0.189   0.333    12.838    0.000    1.429
LGA    P    40_B      P    40_B    14.956     0    0.056   0.260    18.445    0.000    0.000
LGA    E    41_B      E    41_B     9.529     0    0.142   0.617    13.576    6.905    3.122
LGA    A    42_B      A    42_B     5.617     0    0.535   0.485     7.884   12.976   15.619
LGA    D    43_B      D    43_B    10.664     0    0.627   1.294    15.935    0.833    0.417
LGA    L    44_B      L    44_B     7.641     0    0.025   0.055     7.984    7.143    8.988
LGA    S    45_B      S    45_B     7.591     0    0.033   0.111     7.642   10.357   10.317
LGA    D    46_B      D    46_B     6.990     0    0.017   0.387     7.363   13.452   11.726
LGA    E    47_B      E    47_B     6.729     0    0.019   0.834     7.056   16.310   16.032
LGA    Q    48_B      Q    48_B     6.060     0    0.007   0.283     6.578   20.476   18.201
LGA    L    49_B      L    49_B     5.325     0    0.003   1.379     8.374   27.619   20.476
LGA    E    50_B      E    50_B     4.947     4    0.022   0.021     5.259   31.548   16.931
LGA    R    51_B      R    51_B     4.475     0    0.018   1.038     8.574   37.262   25.931
LGA    A    52_B      A    52_B     3.831     0    0.011   0.011     4.296   46.905   44.952
LGA    L    53_B      L    53_B     3.117     0    0.012   1.386     4.145   55.476   50.357
LGA    A    54_B      A    54_B     3.049     0    0.034   0.037     3.602   55.476   53.048
LGA    A    55_B      A    55_B     2.557     0    0.007   0.010     3.021   62.976   60.381
LGA    Y    56_B      Y    56_B     1.438     0    0.006   0.133     1.863   81.548   79.325
LGA    L    57_B      L    57_B     1.326     0    0.046   0.391     3.126   81.429   73.274
LGA    T    58_B      T    58_B     0.847     0    0.032   0.191     1.526   90.476   85.374
LGA    L    59_B      L    59_B     0.802     0    0.033   0.879     2.312   88.214   82.917
LGA    V    60_B      V    60_B     0.942     0    0.030   1.136     3.387   85.952   78.299
LGA    E    61_B      E    61_B     1.100     0    0.019   0.474     2.700   81.429   78.836
LGA    T    62_B      T    62_B     1.262     0    0.028   0.280     1.771   81.429   80.204
LGA    L    63_B      L    63_B     1.365     0    0.063   0.329     2.297   79.286   77.202
LGA    F    64_B      F    64_B     1.568     0    0.029   0.085     1.978   79.286   75.195
LGA    P    65_B      P    65_B     1.253     0    0.016   0.059     1.525   81.429   80.204
LGA    E    66_B      E    66_B     1.043     0    0.006   1.156     4.385   81.429   69.418
LGA    L    67_B      L    67_B     1.311     0    0.034   0.175     2.157   81.429   77.202
LGA    Y    68_B      Y    68_B     1.367     0    0.061   0.090     2.045   83.690   75.833
LGA    A    69_B      A    69_B     1.064     0    0.024   0.032     1.148   81.429   81.429
LGA    E    70_B      E    70_B     1.232     0    0.023   0.465     2.792   81.429   71.481
LGA    M    71_B      M    71_B     1.460     0    0.046   0.727     2.109   81.429   75.119
LGA    K    72_B      K    72_B     1.355     0    0.011   0.316     1.491   81.429   81.429
LGA    A    73_B      A    73_B     1.466     0    0.065   0.074     1.469   81.429   81.429
LGA    A    74_B      A    74_B     1.672     0    0.013   0.013     1.775   72.857   72.857
LGA    L    75_B      L    75_B     1.640     0    0.015   0.289     2.255   72.857   71.845
LGA    A    76_B      A    76_B     1.731     0    0.056   0.063     1.821   72.857   72.857
LGA    A    77_B      A    77_B     1.777     0    0.125   0.132     1.866   72.857   72.857
LGA    A    78_B      A    78_B     1.952     0    0.069   0.091     2.328   68.810   69.619
LGA    K    79_B      K    79_B     1.552     0    0.106   1.402     7.094   75.000   53.862
LGA    T    80_B      T    80_B     1.924     0    0.072   0.928     3.423   70.833   70.952
LGA    P    81_B      P    81_B     2.215     0    0.023   0.057     2.614   66.786   64.830
LGA    E    82_B      E    82_B     2.093     4    0.032   0.041     2.274   68.810   37.778
LGA    E    83_B      E    83_B     1.659     4    0.015   0.021     1.803   75.000   41.429
LGA    K    84_B      K    84_B     1.669     0    0.014   0.347     2.738   75.000   68.519
LGA    I    85_B      I    85_B     1.680     0    0.030   1.055     3.405   72.857   73.274
LGA    A    86_B      A    86_B     1.359     0    0.009   0.011     1.503   79.286   79.714
LGA    V    87_B      V    87_B     1.190     0    0.016   0.118     1.245   81.429   81.429
LGA    F    88_B      F    88_B     1.324     0    0.010   0.141     1.967   81.429   76.753
LGA    R    89_B      R    89_B     1.334     0    0.016   0.940     3.893   81.429   73.420
LGA    E    90_B      E    90_B     1.419     0    0.007   0.236     1.842   81.429   77.619
LGA    Y    91_B      Y    91_B     1.019     0    0.025   0.208     1.502   81.429   83.730
LGA    N    92_B      N    92_B     1.152     0    0.011   0.900     2.909   81.429   77.321
LGA    A    93_B      A    93_B     0.976     0    0.046   0.047     1.085   85.952   86.857
LGA    R    94_B      R    94_B     0.820     0    0.043   0.762     3.696   90.476   70.519
LGA    F    95_B      F    95_B     0.923     0    0.030   1.188     7.213   90.476   57.706
LGA    L    96_B      L    96_B     1.104     0    0.015   0.415     2.013   81.429   80.476
LGA    A    97_B      A    97_B     0.826     0    0.031   0.044     0.912   90.476   90.476
LGA    E    98_B      E    98_B     0.808     0    0.018   0.715     3.190   90.476   78.413
LGA    F    99_B      F    99_B     1.011     0    0.029   0.241     1.253   85.952   86.364
LGA    D   100_B      D   100_B     0.959     0    0.025   0.598     2.344   90.595   83.929
LGA    A   101_B      A   101_B     0.271     0    0.053   0.057     0.913   95.238   96.190
LGA    L   102_B      L   102_B     1.008     0    0.034   1.167     3.313   81.548   76.607
LGA    I   103_B      I   103_B     1.147     0    0.026   0.772     1.900   81.548   83.810
LGA    D   104_B      D   104_B     1.580     0    0.009   0.329     2.779   72.976   67.976
LGA    Q   105_B      Q   105_B     1.905     0    0.063   1.153     5.682   68.810   59.048
LGA    A   106_B      A   106_B     2.413     0    0.019   0.019     2.958   60.952   61.714
LGA    F   107_B      F   107_B     3.061     0    0.067   0.402     3.584   51.786   50.087
LGA    A   108_B      A   108_B     3.503     0    0.016   0.020     4.080   43.452   44.762
LGA    R   109_B      R   109_B     3.771     0    0.049   1.024     5.075   38.810   45.887
LGA    L   110_B      L   110_B     4.310     3    0.065   0.070     5.234   34.524   21.905
LGA    K   111_B      K   111_B     5.075     2    0.312   0.509     9.160   22.024   12.169
LGA    A   112_B      A   112_B    10.164     0    0.632   0.580    12.176    1.786    1.429
LGA    D   113_B      D   113_B    11.190     0    0.173   1.069    13.917    0.119    0.060
LGA    S   114_B      S   114_B    11.725     0    0.063   0.184    12.530    0.000    0.000
LGA    L   115_B      L   115_B    14.356     0    0.141   1.141    16.723    0.000    0.000
LGA    T   116_B      T   116_B    16.987     0    0.035   0.090    19.420    0.000    0.000
LGA    L   117_B      L   117_B    20.227     0    0.034   0.190    22.835    0.000    0.000
LGA    K   118_B      K   118_B    24.731     0    0.017   0.344    27.482    0.000    0.000
LGA    I   119_B      I   119_B    28.363     0    0.067   0.557    29.961    0.000    0.000
LGA    H   120_B      H   120_B    33.644     0    0.023   0.749    35.721    0.000    0.000
LGA    L   121_B      L   121_B    36.626     0    0.006   0.200    38.954    0.000    0.000
LGA    S   122_B      S   122_B    43.160     0    0.630   0.575    46.233    0.000    0.000
LGA    Q   123_B      Q   123_B    46.811     4    0.274   0.281    48.293    0.000    0.000
LGA    G   124_B      G   124_B    48.128     0    0.662   0.662    48.128    0.000    0.000
LGA    K   125_B      K   125_B    42.659     4    0.614   0.593    44.740    0.000    0.000
LGA    G   126_B      G   126_B    37.181     0    0.020   0.020    39.547    0.000    0.000
LGA    S   127_B      S   127_B    32.930     0    0.049   0.184    34.350    0.000    0.000
LGA    Y   128_B      Y   128_B    25.667     0    0.066   1.349    28.487    0.000    0.000
LGA    E   129_B      E   129_B    21.323     0    0.086   1.127    25.163    0.000    0.000
LGA    I   130_B      I   130_B    14.642     0    0.075   0.165    17.364    0.000    0.000
LGA    I   131_B      I   131_B    12.158     0    0.033   0.166    17.153    1.905    0.952
LGA    F   132_B      F   132_B     6.914     0    0.105   1.249    11.402    6.310    4.978
LGA    P   133_B      P   133_B     8.139     0    0.039   0.100     8.533    9.524   15.510
LGA    P   134_B      P   134_B    11.275     0    0.025   0.229    14.787    0.119    0.068
LGA    E   135_B      E   135_B     9.423     4    0.013   0.019    10.321    5.476    2.434
LGA    V   136_B      V   136_B     3.777     0    0.083   0.209     5.549   33.333   39.524
LGA    Q   137_B      Q   137_B     8.018     4    0.070   0.078    10.265    7.500    3.333
LGA    A   138_B      A   138_B     9.117     0    0.139   0.146    11.100    4.643    3.714
LGA    D   139_B      D   139_B     5.360     0    0.114   1.064     9.172   29.048   18.155
LGA    P   140_B      P   140_B     5.397     0    0.055   0.090     7.707   21.905   23.810
LGA    E   141_B      E   141_B     8.054     0    0.048   0.631    13.304    6.190    2.910
LGA    R   142_B      R   142_B     8.464     0    0.072   1.151    10.448    4.286    2.597
LGA    A   143_B      A   143_B     8.049     0    0.018   0.033    11.909    3.690    4.381
LGA    A   144_B      A   144_B    13.075     0    0.005   0.009    16.445    0.000    0.000
LGA    A   145_B      A   145_B    15.507     0    0.008   0.009    17.860    0.000    0.000
LGA    I   146_B      I   146_B    14.372     0    0.029   0.349    17.782    0.000    0.893
LGA    E   147_B      E   147_B    17.973     0    0.025   1.046    22.029    0.000    0.000
LGA    A   148_B      A   148_B    22.238     0    0.042   0.045    25.445    0.000    0.000
LGA    L   149_B      L   149_B    23.052     0    0.041   1.319    25.701    0.000    0.000
LGA    W   150_B      W   150_B    23.436     0    0.016   1.002    27.128    0.000    0.000
LGA    K   151_B      K   151_B    27.789     4    0.038   0.038    31.425    0.000    0.000
LGA    P   152_B      P   152_B    33.259     0    0.054   0.141    35.101    0.000    0.000
LGA    T   153_B      T   153_B    31.739     0    0.024   1.086    32.646    0.000    0.000
LGA    L   154_B      L   154_B    29.961     0    0.030   0.417    33.182    0.000    0.000
LGA    D   155_B      D   155_B    35.626     0    0.021   0.137    38.779    0.000    0.000
LGA    Q   156_B      Q   156_B    38.655     0    0.011   0.898    40.472    0.000    0.000
LGA    L   157_B      L   157_B    35.779     0    0.011   1.286    38.009    0.000    0.000
LGA    L   158_B      L   158_B    37.818     0    0.011   1.058    41.606    0.000    0.000
LGA    A   159_B      A   159_B    43.632     0    0.013   0.015    46.120    0.000    0.000
LGA    V   160_B      V   160_B    43.779     0    0.030   0.212    45.320    0.000    0.000
LGA    L   161_B      L   161_B    42.284     0    0.015   0.277    45.389    0.000    0.000
LGA    Q   162_B      Q   162_B    46.729     0    0.031   0.666    50.361    0.000    0.000
LGA    E   163_B      E   163_B    50.998     3    0.078   0.117    53.494    0.000    0.000
LGA    K   164_B      K   164_B    49.443     4    0.017   0.021    51.199    0.000    0.000
LGA    H   165_B      H   165_B    50.419     0    0.106   0.707    52.839    0.000    0.000
LGA    K   166_B      K   166_B    55.935     2    0.018   0.056    58.985    0.000    0.000
LGA    G   167_B      G   167_B    59.396     0    0.117   0.117    60.155    0.000    0.000
LGA    K   168_B      K   168_B    55.844     0    0.062   0.592    56.511    0.000    0.000
LGA    P   169_B      P   169_B    54.117     0    0.023   0.183    56.128    0.000    0.000
LGA    A   170_B      A   170_B    48.465     0    0.016   0.019    50.596    0.000    0.000
LGA    T   171_B      T   171_B    45.576     0    0.075   0.142    48.005    0.000    0.000
LGA    T   172_B      T   172_B    39.268     0    0.054   0.084    41.652    0.000    0.000
LGA    V   173_B      V   173_B    35.717     0    0.028   0.077    38.975    0.000    0.000
LGA    T   174_B      T   174_B    29.835     0    0.066   0.291    32.134    0.000    0.000
LGA    Y   175_B      Y   175_B    26.868     0    0.079   1.243    36.255    0.000    0.000
LGA    E   176_B      E   176_B    22.192     0    0.040   0.786    23.943    0.000    0.000
LGA    I   177_B      I   177_B    21.495     0    0.112   0.275    22.801    0.000    0.000
LGA    S   178_B      S   178_B    20.983     0    0.115   0.220    21.449    0.000    0.000
LGA    A   179_B      A   179_B    19.805     0    0.076   0.081    20.075    0.000    0.000
LGA    E   180_B      E   180_B    19.514     0    0.020   0.558    20.208    0.000    0.000
LGA    T   181_B      T   181_B    20.299     0    0.024   1.157    22.280    0.000    0.000
LGA    L   182_B      L   182_B    20.617     0    0.030   1.309    21.097    0.000    0.000
LGA    R   183_B      R   183_B    20.277     0    0.009   1.096    21.452    0.000    0.000
LGA    A   184_B      A   184_B    21.727     0    0.011   0.011    23.263    0.000    0.000
LGA    A   185_B      A   185_B    22.997     0    0.015   0.015    24.431    0.000    0.000
LGA    V   186_B      V   186_B    22.727     0    0.017   0.095    24.214    0.000    0.000
LGA    A   187_B      A   187_B    24.019     0    0.009   0.017    26.262    0.000    0.000
LGA    A   188_B      A   188_B    26.520     0    0.042   0.045    28.743    0.000    0.000
LGA    L   189_B      L   189_B    27.302     0    0.063   0.465    28.896    0.000    0.000
LGA    A   190_B      A   190_B    26.991     0    0.028   0.032    29.456    0.000    0.000
LGA    R   191_B      R   191_B    30.238     0    0.049   0.717    32.973    0.000    0.000
LGA    A   192_B      A   192_B    32.763     0    0.032   0.031    34.675    0.000    0.000
LGA    A   193_B      A   193_B    32.295     0    0.017   0.024    34.264    0.000    0.000
LGA    E   194_B      E   194_B    33.678     0    0.025   0.481    36.572    0.000    0.000
LGA    A   195_B      A   195_B    37.281     0    0.017   0.021    39.824    0.000    0.000
LGA    A   196_B      A   196_B    38.385     0    0.031   0.034    40.382    0.000    0.000
LGA    L   197_B      L   197_B    37.866     0    0.021   1.254    40.344    0.000    0.000
LGA    R   198_B      R   198_B    40.773     0    0.032   1.395    43.896    0.000    0.000
LGA    R   199_B      R   199_B    44.217     0    0.002   0.532    46.481    0.000    0.000
LGA    K   200_B      K   200_B    44.081     0    0.068   0.404    45.938    0.000    0.000
LGA    V   201_B      V   201_B    44.101     0    0.028   1.266    47.051    0.000    0.000
LGA    G   202_B      G   202_B    48.508     0    0.198   0.198    51.484    0.000    0.000
LGA    S   203_B      S   203_B    51.187     1    0.574   0.576    52.561    0.000    0.000
LGA    L   204_B      L   204_B    49.874     3    0.182   0.188    50.156    0.000    0.000
LGA    E   205_B      E   205_B    44.738     4    0.336   0.328    46.276    0.000    0.000
LGA    S   206_B      S   206_B    50.134     1    0.070   0.074    52.810    0.000    0.000
LGA    S   207_B      S   207_B    48.564     0    0.639   0.529    49.071    0.000    0.000
LGA    G   208_B      G   208_B    42.325     0    0.627   0.627    44.456    0.000    0.000
LGA    L   209_B      L   209_B    37.681     3    0.042   0.045    39.372    0.000    0.000
LGA    E   210_B      E   210_B    31.864     4    0.486   0.453    34.402    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):    18.412         18.403                 17.970           23.366   21.775

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     62    2.13    29.469    26.811     2.784

LGA_LOCAL      RMSD:   2.127  Number of atoms:   62  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.175  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  18.412  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.438870 * X  +   0.082030 * Y  +  -0.894798 * Z  + -21.578743
  Y_new =  -0.891670 * X  +   0.162758 * Y  +  -0.422415 * Z  +   2.713907
  Z_new =   0.110985 * X  +   0.983250 * Y  +   0.144574 * Z  +  -8.819361 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.113417 -0.111214  1.424806   [DEG:  -63.7941   -6.3721   81.6354 ]
ZXZ: -1.129735  1.425714  0.112400   [DEG:  -64.7290   81.6874    6.4400 ]
 
# END of job
