
#######################################################
#                                                     #
#                        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:    78      39_B - 116_B       4.87    20.37
  LONGEST_CONTINUOUS_SEGMENT:    78      40_B - 117_B       4.73    20.13
  LONGEST_CONTINUOUS_SEGMENT:    78      41_B - 118_B       4.82    19.88
  LCS_AVERAGE:     24.45

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      42_B - 111_B       1.89    20.06
  LONGEST_CONTINUOUS_SEGMENT:    70      43_B - 112_B       1.92    19.91
  LCS_AVERAGE:     17.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      46_B - 103_B       0.99    20.35
  LONGEST_CONTINUOUS_SEGMENT:    58      48_B - 105_B       0.99    20.06
  LONGEST_CONTINUOUS_SEGMENT:    58      49_B - 106_B       0.98    19.90
  LONGEST_CONTINUOUS_SEGMENT:    58      52_B - 109_B       0.98    19.41
  LONGEST_CONTINUOUS_SEGMENT:    58      53_B - 110_B       0.97    19.25
  LCS_AVERAGE:     13.86

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      6   10   16      4    5    5    6    9   11   13   13   13   13   13   15   21   26   30   39   44   55   58   69 
LCS_GDT     D     5_B     D     5_B      6   10   16      4    5    5    6    9   11   13   13   13   15   20   23   30   36   44   55   64   73   80   87 
LCS_GDT     F     6_B     F     6_B      6   11   16      4    5    5    7   10   11   13   13   13   14   17   21   25   34   43   53   64   71   78   87 
LCS_GDT     T     7_B     T     7_B      6   11   16      4    5    5    8    9   11   13   13   13   14   18   24   29   45   60   70   80   88   94  102 
LCS_GDT     G     8_B     G     8_B      9   11   16      9    9    9    9   10   11   13   14   17   27   57   61   68   78   88   96  100  106  109  112 
LCS_GDT     A     9_B     A     9_B      9   11   23      9    9    9    9   10   11   13   13   16   19   23   26   68   71   75   90   99  106  109  112 
LCS_GDT     R    10_B     R    10_B      9   11   23      9    9    9    9   10   11   13   13   13   14   17   18   25   25   29   41   63   89   93  102 
LCS_GDT     E    11_B     E    11_B      9   11   23      9    9    9    9   10   11   13   13   14   16   19   28   32   39   69   77   87  106  109  112 
LCS_GDT     R    12_B     R    12_B      9   11   23      9    9    9    9   52   57   60   63   65   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     F    13_B     F    13_B      9   11   23      9    9    9    9   10   16   17   49   57   66   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     L    14_B     L    14_B      9   11   23      9    9    9    9   13   13   13   15   16   18   19   21   28   32   41   72   81   86   93   99 
LCS_GDT     A    15_B     A    15_B      9   11   23      9    9    9    9   10   11   13   13   16   18   19   40   46   51   55   70   77   83   93   99 
LCS_GDT     G    16_B     G    16_B      9   14   23      9    9    9    9   10   14   14   15   15   18   63   65   65   71   76   81   87   89   94  100 
LCS_GDT     D    17_B     D    17_B      4   14   23      3    4    4    8   12   20   46   54   62   66   72   74   76   77   83   96  100  106  109  112 
LCS_GDT     V    18_B     V    18_B     11   14   23      3    4    9   12   13   14   17   22   57   59   63   67   71   74   80   84   87   89   94  104 
LCS_GDT     T    19_B     T    19_B     11   14   23      3   10   11   12   13   14   38   61   62   66   71   74   76   77   80   84   87   92  109  112 
LCS_GDT     I    20_B     I    20_B     11   14   23      5   10   11   12   13   14   48   54   58   62   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     V    21_B     V    21_B     11   14   23      4   10   11   12   13   14   14   15   38   55   61   67   73   77   81   84   95  106  109  112 
LCS_GDT     L    22_B     L    22_B     11   14   23      5   10   11   12   13   33   50   59   64   68   72   74   76   77   81   84   90  106  109  112 
LCS_GDT     L    23_B     L    23_B     11   14   23      4   10   11   12   13   14   49   54   58   62   72   74   76   83   90   96  100  106  109  112 
LCS_GDT     I    24_B     I    24_B     11   14   23      4   10   11   12   13   15   23   30   36   43   50   67   78   85   90   96  100  106  109  112 
LCS_GDT     A    25_B     A    25_B     11   14   23      5   10   11   12   13   14   14   15   22   32   37   51   69   76   81   84   95  106  109  112 
LCS_GDT     E    26_B     E    26_B     11   14   23      5   10   11   12   13   14   50   55   59   64   72   74   76   77   84   95  100  106  109  112 
LCS_GDT     S    27_B     S    27_B     11   14   23      5   10   11   12   13   14   14   27   35   43   50   67   78   85   90   96  100  106  109  112 
LCS_GDT     H    28_B     H    28_B     11   14   23      4   10   11   12   13   14   19   24   33   42   43   50   78   85   90   96  100  106  109  112 
LCS_GDT     D    29_B     D    29_B     11   14   23      3    6   11   12   13   14   14   15   24   37   54   62   69   73   81   93  100  106  109  112 
LCS_GDT     A    30_B     A    30_B      3    4   23      3    3    3    5    7   10   13   13   16   18   21   31   46   54   68   76   88   93  100  112 
LCS_GDT     P    31_B     P    31_B      4    4   23      3    3    4    5    7    9   10   12   16   18   21   23   25   30   34   69   79   89   94  103 
LCS_GDT     Y    32_B     Y    32_B      4    4   23      3    4    4    5    5    8    9   11   15   18   21   26   28   34   42   50   63   72   88   91 
LCS_GDT     R    33_B     R    33_B      4    4   23      3    4    4    5    5    8    9   12   15   18   24   32   41   54   67   75   81   84   89   91 
LCS_GDT     L    34_B     L    34_B      6    8   21      4    7    7    8    8    8   10   12   15   18   24   35   53   63   69   76   81   86   93   99 
LCS_GDT     A    35_B     A    35_B      6    8   21      4    7    7    8    8    8    9   12   15   18   26   39   51   63   67   75   80   84   89   91 
LCS_GDT     N    36_B     N    36_B      6    8   21      4    7    7    8    8    9   10   12   15   18   21   29   31   37   45   56   66   72   83   90 
LCS_GDT     P    37_B     P    37_B      6    8   76      4    7    7    8    8    9   10   12   15   18   21   26   28   34   37   43   51   61   71   79 
LCS_GDT     E    38_B     E    38_B      6    8   77      4    7    7    8    8    9   10   12   15   18   21   23   27   28   33   35   39   44   49   53 
LCS_GDT     D    39_B     D    39_B      6    8   78      4    7    7    8    8    9   10   12   15   18   21   25   28   33   37   40   48   58   70   79 
LCS_GDT     P    40_B     P    40_B      6    8   78      3    4    7    7    7    9   10   12   15   18   21   26   31   38   44   56   66   75   88   91 
LCS_GDT     E    41_B     E    41_B      6    8   78      3    7    7    8    8    9   10   12   15   18   21   32   43   55   64   74   79   86   92   94 
LCS_GDT     A    42_B     A    42_B      6   70   78      3    4    7   10   15   20   28   42   51   62   70   71   74   77   80   84   87   89   92   94 
LCS_GDT     D    43_B     D    43_B     38   70   78      3    7   16   33   48   59   64   67   69   69   71   73   74   77   80   84   87   89   93   99 
LCS_GDT     L    44_B     L    44_B     52   70   78     17   35   48   59   64   67   68   68   69   69   71   74   76   77   81   84   88   91   99  106 
LCS_GDT     S    45_B     S    45_B     56   70   78     17   35   49   59   64   67   68   68   69   69   71   74   76   77   81   84   87   91   98  104 
LCS_GDT     D    46_B     D    46_B     58   70   78     17   36   54   60   64   67   68   68   69   69   72   74   76   77   81   84   88   91   99  106 
LCS_GDT     E    47_B     E    47_B     58   70   78     17   35   54   60   64   67   68   68   69   69   72   74   76   77   81   84   87   91   98  106 
LCS_GDT     Q    48_B     Q    48_B     58   70   78     17   36   54   60   64   67   68   68   69   69   72   74   76   77   81   84   88   91   99  106 
LCS_GDT     L    49_B     L    49_B     58   70   78     17   36   54   60   64   67   68   68   69   69   72   74   76   77   81   84   88   93   99  111 
LCS_GDT     E    50_B     E    50_B     58   70   78     17   36   54   60   64   67   68   68   69   69   72   74   76   77   81   84   88   93  100  111 
LCS_GDT     R    51_B     R    51_B     58   70   78     17   41   54   60   64   67   68   68   69   69   72   74   76   77   81   84   88   93  100  111 
LCS_GDT     A    52_B     A    52_B     58   70   78     17   42   54   60   64   67   68   68   69   69   72   74   76   77   81   84   90  104  109  112 
LCS_GDT     L    53_B     L    53_B     58   70   78     17   46   54   60   64   67   68   68   69   69   72   74   76   77   81   84   99  106  109  112 
LCS_GDT     A    54_B     A    54_B     58   70   78     17   46   54   60   64   67   68   68   69   69   72   74   76   77   81   84   93  106  109  112 
LCS_GDT     A    55_B     A    55_B     58   70   78     17   46   54   60   64   67   68   68   69   69   72   74   76   77   81   87   99  106  109  112 
LCS_GDT     Y    56_B     Y    56_B     58   70   78     17   46   54   60   64   67   68   68   69   69   72   74   76   77   90   96  100  106  109  112 
LCS_GDT     L    57_B     L    57_B     58   70   78     21   47   54   60   64   67   68   68   69   69   72   74   76   77   90   96  100  106  109  112 
LCS_GDT     T    58_B     T    58_B     58   70   78     21   47   54   60   64   67   68   68   69   69   72   74   76   77   90   96  100  106  109  112 
LCS_GDT     L    59_B     L    59_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     V    60_B     V    60_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     E    61_B     E    61_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     T    62_B     T    62_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     L    63_B     L    63_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     F    64_B     F    64_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     P    65_B     P    65_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     E    66_B     E    66_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     L    67_B     L    67_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     Y    68_B     Y    68_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A    69_B     A    69_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     E    70_B     E    70_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     M    71_B     M    71_B     58   70   78     23   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     K    72_B     K    72_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   76   85   90   96  100  106  109  112 
LCS_GDT     A    73_B     A    73_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   76   85   90   96  100  106  109  112 
LCS_GDT     A    74_B     A    74_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     L    75_B     L    75_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A    76_B     A    76_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   76   77   90   96  100  106  109  112 
LCS_GDT     A    77_B     A    77_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   76   83   90   96  100  106  109  112 
LCS_GDT     A    78_B     A    78_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     K    79_B     K    79_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   76   77   90   96  100  106  109  112 
LCS_GDT     T    80_B     T    80_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   76   85   90   96  100  106  109  112 
LCS_GDT     P    81_B     P    81_B     58   70   78     16   47   53   60   64   67   68   68   69   69   72   74   76   85   90   96  100  106  109  112 
LCS_GDT     E    82_B     E    82_B     58   70   78     16   47   53   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     E    83_B     E    83_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     K    84_B     K    84_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     I    85_B     I    85_B     58   70   78     16   47   53   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A    86_B     A    86_B     58   70   78     16   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     V    87_B     V    87_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     F    88_B     F    88_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     R    89_B     R    89_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     E    90_B     E    90_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     Y    91_B     Y    91_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     N    92_B     N    92_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A    93_B     A    93_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     R    94_B     R    94_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     F    95_B     F    95_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     L    96_B     L    96_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A    97_B     A    97_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     E    98_B     E    98_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     F    99_B     F    99_B     58   70   78     36   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     D   100_B     D   100_B     58   70   78     35   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A   101_B     A   101_B     58   70   78     21   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     L   102_B     L   102_B     58   70   78     29   47   54   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     I   103_B     I   103_B     58   70   78     17   47   53   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     D   104_B     D   104_B     58   70   78     12   46   53   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     Q   105_B     Q   105_B     58   70   78     15   46   53   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A   106_B     A   106_B     58   70   78     11   45   53   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     F   107_B     F   107_B     58   70   78     10   30   53   57   62   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     A   108_B     A   108_B     58   70   78     10   35   53   58   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     R   109_B     R   109_B     58   70   78     10   40   53   60   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     L   110_B     L   110_B     58   70   78     10   32   53   57   64   67   68   68   69   69   72   74   78   85   90   96  100  106  109  112 
LCS_GDT     K   111_B     K   111_B     57   70   78     10   16   45   55   59   66   68   68   69   69   70   74   78   85   90   96  100  106  109  112 
LCS_GDT     A   112_B     A   112_B      3   70   78      3    3    4    6   26   38   51   59   63   67   69   69   78   85   90   96  100  106  109  112 
LCS_GDT     D   113_B     D   113_B      3   64   78      3    3    4    6    6    7    7   21   23   25   36   45   51   70   71   93  100  106  109  112 
LCS_GDT     S   114_B     S   114_B      3    4   78      3    3    4    5   11   15   23   33   42   54   61   65   69   82   88   96  100  106  109  112 
LCS_GDT     L   115_B     L   115_B      3    4   78      0    3    4    5    6    9   11   16   23   32   39   47   57   63   67   79   86   94   99  104 
LCS_GDT     T   116_B     T   116_B      3    3   78      1    3    4    5    6    7    8   10   11   14   17   25   36   39   48   57   68   74   79   87 
LCS_GDT     L   117_B     L   117_B      3    3   78      0    3    4    5    7   10   14   18   24   32   39   45   55   61   65   72   75   79   81   87 
LCS_GDT     K   118_B     K   118_B      3    3   78      0    3    3    5    7    8   10   13   17   21   28   34   39   47   57   64   71   78   81   87 
LCS_GDT     I   119_B     I   119_B      3    3   73      3    3    3    3    3    3    5    8    9   10   15   20   25   30   37   45   57   63   69   78 
LCS_GDT     H   120_B     H   120_B      3    3   20      3    3    4    4    4    4    8    8    9   10   15   21   28   33   41   51   58   68   73   82 
LCS_GDT     L   121_B     L   121_B      3    5   17      3    3    4    4    5    6   12   14   14   15   16   19   26   31   38   48   58   66   73   82 
LCS_GDT     S   122_B     S   122_B      4    5   17      3    4    5    5    5   11   12   14   14   15   16   19   21   24   29   36   43   45   53   59 
LCS_GDT     Q   123_B     Q   123_B      4    8   17      3    4    5    6    8   11   12   14   14   15   16   19   21   24   29   33   35   41   46   49 
LCS_GDT     G   124_B     G   124_B      4    8   17      3    4    5    5    7   11   12   14   14   15   19   23   27   32   37   45   57   65   69   79 
LCS_GDT     K   125_B     K   125_B      4   11   17      3    4    6   10   12   15   15   18   22   25   29   34   39   43   51   56   64   68   73   82 
LCS_GDT     G   126_B     G   126_B      5   11   17      4    5    6    8    9   11   12   14   16   19   23   28   38   43   50   56   65   77   79   87 
LCS_GDT     S   127_B     S   127_B      5   11   17      4    5    7    8    9   11   12   14   15   17   22   23   41   58   65   79   83   86   98  100 
LCS_GDT     Y   128_B     Y   128_B      5   11   17      4    5    6    8    9   11   12   14   14   15   17   21   25   48   54   67   89  101  104  107 
LCS_GDT     E   129_B     E   129_B      6   11   39      4    5    7    8    9   13   14   17   18   20   26   46   50   57   86   96  100  106  109  112 
LCS_GDT     I   130_B     I   130_B      6   11   40      3    5    7    8   13   15   17   18   20   22   25   28   46   72   81   84   88  106  109  112 
LCS_GDT     I   131_B     I   131_B      6   11   40      4    5    7    8   11   13   17   18   19   23   30   58   63   77   81   84   88   92   98  104 
LCS_GDT     F   132_B     F   132_B      6   11   40      4    5    7    8    9   11   17   31   37   46   56   61   66   73   76   80   84   89   92   99 
LCS_GDT     P   133_B     P   133_B      6   11   40      4    5    7    8    9   11   12   14   14   25   35   36   57   62   70   76   81   84   89   91 
LCS_GDT     P   134_B     P   134_B      6   11   40      4    5    7    8    9   10   12   14   17   23   35   36   36   37   42   49   58   62   81   82 
LCS_GDT     E   135_B     E   135_B      3   11   40      3    3    4    6    9   10   11   11   17   22   33   36   36   37   37   39   40   42   43   51 
LCS_GDT     V   136_B     V   136_B      3   31   40      3   17   18   19   22   27   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     Q   137_B     Q   137_B      3   31   40      3   14   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     A   138_B     A   138_B      3   31   40      3    3    3    4    7   12   13   30   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     D   139_B     D   139_B     26   31   40      7   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     P   140_B     P   140_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     E   141_B     E   141_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     R   142_B     R   142_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     A   143_B     A   143_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     A   144_B     A   144_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     A   145_B     A   145_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     I   146_B     I   146_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   51 
LCS_GDT     E   147_B     E   147_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     A   148_B     A   148_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     L   149_B     L   149_B     26   31   40     11   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   49   52 
LCS_GDT     W   150_B     W   150_B     26   31   40     14   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   52 
LCS_GDT     K   151_B     K   151_B     26   31   40     15   17   23   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     P   152_B     P   152_B     26   31   40     15   17   23   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   50 
LCS_GDT     T   153_B     T   153_B     26   31   40     15   17   25   29   29   29   30   31   32   32   35   36   36   37   38   46   51   53   55   58 
LCS_GDT     L   154_B     L   154_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   36   40   42   46   51   53   55   61 
LCS_GDT     D   155_B     D   155_B     26   31   40     15   17   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   53 
LCS_GDT     Q   156_B     Q   156_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   43   45   46   52 
LCS_GDT     L   157_B     L   157_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   41   44   48   50   52   54   57   63 
LCS_GDT     L   158_B     L   158_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   41   44   48   50   52   54   57   63 
LCS_GDT     A   159_B     A   159_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   44   48   53   57 
LCS_GDT     V   160_B     V   160_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   36   37   38   42   48   52   54   58 
LCS_GDT     L   161_B     L   161_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   36   38   42   44   50   53   57   62 
LCS_GDT     Q   162_B     Q   162_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   37   40   42   47   50   53   56   62 
LCS_GDT     E   163_B     E   163_B     26   31   40     15   18   25   29   29   29   30   31   32   32   35   36   36   37   38   40   44   50   53   58 
LCS_GDT     K   164_B     K   164_B     26   31   40     15   17   25   29   29   29   30   31   32   32   35   36   36   37   38   40   44   50   54   58 
LCS_GDT     H   165_B     H   165_B     21   31   40     15   17   25   29   29   29   30   31   32   32   35   36   36   37   40   44   49   53   57   61 
LCS_GDT     K   166_B     K   166_B     21   31   40     10   17   22   29   29   29   30   31   32   32   35   36   36   37   40   44   48   52   57   61 
LCS_GDT     G   167_B     G   167_B      6   31   40      5    7   10   13   16   17   26   31   32   32   35   36   36   37   40   44   49   53   57   61 
LCS_GDT     K   168_B     K   168_B      6   15   40      5    7   10   13   16   17   18   21   23   26   35   36   36   37   40   44   49   53   57   61 
LCS_GDT     P   169_B     P   169_B      6   15   40      5    6   10   13   16   17   18   21   23   25   26   29   34   35   40   44   49   53   57   61 
LCS_GDT     A   170_B     A   170_B      6   15   39      5    6    7    9   16   17   18   21   22   25   29   34   38   43   46   51   58   59   71   78 
LCS_GDT     T   171_B     T   171_B      6   15   38      4    6   10   13   16   17   18   21   23   25   29   32   36   40   43   47   50   59   65   70 
LCS_GDT     T   172_B     T   172_B      6   15   38      3    7   10   13   16   17   18   21   23   25   29   32   38   43   46   51   64   68   71   78 
LCS_GDT     V   173_B     V   173_B      6   15   38      3    7   10   13   16   17   18   21   23   25   29   34   41   45   51   56   64   77   80   85 
LCS_GDT     T   174_B     T   174_B      6   15   38      3    7   10   13   16   17   18   21   23   25   32   36   42   57   67   71   74   80   83   98 
LCS_GDT     Y   175_B     Y   175_B      6   29   38      3    5    9   12   15   17   18   23   29   44   47   53   66   70   74   82   88   93   99  104 
LCS_GDT     E   176_B     E   176_B      6   29   38      3    7   10   13   16   24   29   38   46   50   58   64   67   73   85   90   98  101  105  107 
LCS_GDT     I   177_B     I   177_B     27   29   38     12   21   27   28   33   38   41   44   47   51   59   66   78   85   90   96  100  105  109  112 
LCS_GDT     S   178_B     S   178_B     27   29   38     12   21   27   28   33   38   41   44   46   48   59   66   77   85   90   96  100  105  109  112 
LCS_GDT     A   179_B     A   179_B     27   29   38     15   21   27   28   33   38   41   44   51   55   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     E   180_B     E   180_B     27   29   37     15   21   27   28   33   38   41   44   47   55   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     T   181_B     T   181_B     27   29   37     15   21   27   28   33   38   41   44   47   51   59   66   78   85   90   96  100  106  109  112 
LCS_GDT     L   182_B     L   182_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     R   183_B     R   183_B     27   29   36     15   22   27   28   33   38   41   44   47   55   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   184_B     A   184_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   185_B     A   185_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     V   186_B     V   186_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   187_B     A   187_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   188_B     A   188_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     L   189_B     L   189_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   190_B     A   190_B     27   29   36     15   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     R   191_B     R   191_B     27   29   36     15   22   27   28   33   38   41   44   47   50   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   192_B     A   192_B     27   29   36     15   22   27   28   33   38   41   44   47   50   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   193_B     A   193_B     27   29   36     15   22   27   28   33   38   41   44   47   50   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     E   194_B     E   194_B     27   29   36     14   22   27   28   33   38   41   44   47   50   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     A   195_B     A   195_B     27   29   36     14   22   27   28   33   38   41   44   47   50   59   64   78   85   90   96  100  106  109  112 
LCS_GDT     A   196_B     A   196_B     27   29   36     14   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     L   197_B     L   197_B     27   29   36     12   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     R   198_B     R   198_B     27   29   36     12   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     R   199_B     R   199_B     27   29   36     12   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     K   200_B     K   200_B     27   29   36     12   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     V   201_B     V   201_B     27   29   36     12   22   27   28   33   38   41   44   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     G   202_B     G   202_B     27   29   36     12   22   27   28   33   38   41   44   47   51   59   67   78   85   88   96  100  106  109  112 
LCS_GDT     S   203_B     S   203_B     27   29   36     12   22   27   28   33   38   41   44   47   51   59   67   78   85   88   96  100  106  109  112 
LCS_GDT     L   204_B     L   204_B     16   29   36      4    4    4   10   16   23   28   42   47   51   59   67   78   85   90   96  100  106  109  112 
LCS_GDT     E   205_B     E   205_B      4   29   36      4    4    4    5    5    6    7   13   23   28   39   50   60   62   86   96  100  103  109  112 
LCS_GDT     S   206_B     S   206_B      4    5   36      4    4    4    5    5   10   23   34   36   42   50   51   60   62   66   75   77   89   99  104 
LCS_GDT     S   207_B     S   207_B      4    5   36      3    4    4    5    5    6    9   11   18   29   39   48   54   58   64   72   77   81   88   91 
LCS_GDT     G   208_B     G   208_B      4    5   36      3    4    4    5    5    6    9   11   14   16   22   31   46   54   59   66   74   81   86   91 
LCS_GDT     L   209_B     L   209_B      4    5   36      3    5    7    8    8    8   10   12   14   14   16   17   23   27   35   40   46   60   68   80 
LCS_GDT     E   210_B     E   210_B      4    4   34      3    3    4    5    5    9    9   11   12   14   14   15   17   18   18   20   21   21   25   32 
LCS_AVERAGE  LCS_A:  18.71  (  13.86   17.81   24.45 )

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     36     47     54     60     64     67     68     68     69     69     72     74     78     85     90     96    100    106    109    112 
GDT PERCENT_AT  17.39  22.71  26.09  28.99  30.92  32.37  32.85  32.85  33.33  33.33  34.78  35.75  37.68  41.06  43.48  46.38  48.31  51.21  52.66  54.11
GDT RMS_LOCAL    0.32   0.50   0.92   1.06   1.22   1.36   1.43   1.43   1.58   1.58   2.59   2.58   4.84   5.04   5.16   5.41   5.58   5.91   6.00   6.15
GDT RMS_ALL_AT  19.58  19.51  20.37  20.20  20.18  19.93  19.85  19.85  19.94  19.94  19.67  19.94  17.31  17.32  17.45  17.49  17.62  17.85  17.77  17.85

# Checking swapping
#   possible swapping detected:  F     6_B      F     6_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:  E    61_B      E    61_B
#   possible swapping detected:  Y    68_B      Y    68_B
#   possible swapping detected:  F    88_B      F    88_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  F    95_B      F    95_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  F    99_B      F    99_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  E   129_B      E   129_B
#   possible swapping detected:  F   132_B      F   132_B
#   possible swapping detected:  D   139_B      D   139_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   176_B      E   176_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    22.404     0    0.085   0.362    26.890    0.000    0.000
LGA    D     5_B      D     5_B    17.024     3    0.094   0.102    18.472    0.000    0.000
LGA    F     6_B      F     6_B    15.886     0    0.053   1.255    22.083    0.000    0.000
LGA    T     7_B      T     7_B    14.221     0    0.560   0.602    16.899    0.000    0.000
LGA    G     8_B      G     8_B     9.927     0    0.170   0.170    11.691    3.333    3.333
LGA    A     9_B      A     9_B     9.512     0    0.019   0.019    11.388    0.833    0.667
LGA    R    10_B      R    10_B    14.264     6    0.022   0.023    17.175    0.000    0.000
LGA    E    11_B      E    11_B    13.640     0    0.027   1.089    16.964    0.000    0.000
LGA    R    12_B      R    12_B     7.101     0    0.085   1.704     8.969    8.214   33.853
LGA    F    13_B      F    13_B     8.140     0    0.022   1.384    10.370    2.976    1.558
LGA    L    14_B      L    14_B    15.048     3    0.089   0.097    17.336    0.000    0.000
LGA    A    15_B      A    15_B    15.073     0    0.111   0.121    15.727    0.000    0.000
LGA    G    16_B      G    16_B    10.914     0    0.216   0.216    11.762    0.119    0.119
LGA    D    17_B      D    17_B     9.051     0    0.520   1.000    10.720    0.833    3.750
LGA    V    18_B      V    18_B    11.115     0    0.028   1.264    15.344    0.119    0.068
LGA    T    19_B      T    19_B     7.645     0    0.123   1.156    10.091    6.548    5.442
LGA    I    20_B      I    20_B     9.190     0    0.040   0.648    11.779    1.667    0.833
LGA    V    21_B      V    21_B    10.618     0    0.126   0.191    12.541    0.238    0.136
LGA    L    22_B      L    22_B     7.659     0    0.043   0.290     9.798    6.548    5.298
LGA    L    23_B      L    23_B     9.540     0    0.119   1.354    12.993    1.310    0.655
LGA    I    24_B      I    24_B    13.224     0    0.037   0.548    16.783    0.000    0.000
LGA    A    25_B      A    25_B    11.276     0    0.117   0.124    11.503    0.000    0.000
LGA    E    26_B      E    26_B     9.086     0    0.017   1.141    11.690    0.714   10.212
LGA    S    27_B      S    27_B    14.976     0    0.032   0.280    17.908    0.000    0.000
LGA    H    28_B      H    28_B    15.991     0    0.016   1.144    21.898    0.000    0.000
LGA    D    29_B      D    29_B    12.521     0    0.351   0.419    13.440    0.000    0.417
LGA    A    30_B      A    30_B    14.355     0    0.611   0.620    15.150    0.000    0.000
LGA    P    31_B      P    31_B    14.403     0    0.660   0.661    17.925    0.000    0.000
LGA    Y    32_B      Y    32_B    16.712     0    0.188   1.290    20.466    0.000    0.000
LGA    R    33_B      R    33_B    15.159     0    0.570   0.825    19.079    0.000    0.000
LGA    L    34_B      L    34_B    13.599     0    0.681   0.727    15.876    0.000    0.000
LGA    A    35_B      A    35_B    15.100     0    0.177   0.181    19.009    0.000    0.000
LGA    N    36_B      N    36_B    18.623     3    0.104   0.107    18.703    0.000    0.000
LGA    P    37_B      P    37_B    20.147     0    0.232   0.323    22.507    0.000    0.000
LGA    E    38_B      E    38_B    23.776     4    0.128   0.134    25.652    0.000    0.000
LGA    D    39_B      D    39_B    19.636     0    0.209   0.363    21.010    0.000    0.000
LGA    P    40_B      P    40_B    17.025     0    0.171   0.409    21.644    0.000    0.000
LGA    E    41_B      E    41_B    14.187     0    0.245   0.673    21.822    0.000    0.000
LGA    A    42_B      A    42_B     9.523     0    0.118   0.119    11.550   10.000    8.000
LGA    D    43_B      D    43_B     5.965     0    0.632   1.206     9.323   19.762   10.774
LGA    L    44_B      L    44_B     2.938     0    0.110   0.212     3.643   53.690   56.369
LGA    S    45_B      S    45_B     2.878     0    0.055   0.142     3.016   60.952   59.762
LGA    D    46_B      D    46_B     2.042     0    0.034   0.507     2.333   66.786   67.798
LGA    E    47_B      E    47_B     2.240     0    0.079   0.307     2.736   66.786   64.815
LGA    Q    48_B      Q    48_B     2.061     0    0.009   0.296     3.150   68.810   65.820
LGA    L    49_B      L    49_B     1.845     0    0.016   0.601     3.283   72.857   71.071
LGA    E    50_B      E    50_B     1.587     4    0.051   0.050     1.692   77.143   42.381
LGA    R    51_B      R    51_B     1.389     0    0.015   0.781     3.558   79.286   71.126
LGA    A    52_B      A    52_B     1.374     0    0.018   0.024     1.695   83.690   81.524
LGA    L    53_B      L    53_B     0.720     0    0.013   0.197     1.005   90.476   88.214
LGA    A    54_B      A    54_B     0.884     0    0.027   0.027     1.244   90.476   88.667
LGA    A    55_B      A    55_B     0.974     0    0.021   0.027     1.346   90.476   88.667
LGA    Y    56_B      Y    56_B     0.777     0    0.045   0.168     0.970   90.476   90.476
LGA    L    57_B      L    57_B     0.371     0    0.017   0.397     1.193  100.000   96.488
LGA    T    58_B      T    58_B     0.654     0    0.031   0.149     1.084   88.214   86.599
LGA    L    59_B      L    59_B     0.906     0    0.043   0.764     2.678   90.476   84.107
LGA    V    60_B      V    60_B     0.686     0    0.060   1.124     2.315   90.476   83.129
LGA    E    61_B      E    61_B     0.922     0    0.019   0.477     1.508   85.952   83.492
LGA    T    62_B      T    62_B     1.281     0    0.012   0.263     1.721   81.429   78.980
LGA    L    63_B      L    63_B     1.217     0    0.079   0.321     2.217   81.429   77.202
LGA    F    64_B      F    64_B     1.093     0    0.021   0.172     1.417   83.690   83.896
LGA    P    65_B      P    65_B     1.330     0    0.016   0.066     1.519   81.429   80.204
LGA    E    66_B      E    66_B     1.317     0    0.047   1.142     3.964   81.429   69.153
LGA    L    67_B      L    67_B     1.128     0    0.039   0.256     1.652   81.429   80.357
LGA    Y    68_B      Y    68_B     1.150     0    0.036   0.168     2.107   81.429   77.897
LGA    A    69_B      A    69_B     1.278     0    0.018   0.022     1.450   81.429   81.429
LGA    E    70_B      E    70_B     1.169     0    0.021   0.499     2.483   81.429   74.021
LGA    M    71_B      M    71_B     1.215     0    0.032   0.774     2.615   81.429   77.321
LGA    K    72_B      K    72_B     1.053     0    0.024   0.378     1.630   85.952   84.497
LGA    A    73_B      A    73_B     0.975     0    0.043   0.045     1.131   88.214   86.857
LGA    A    74_B      A    74_B     1.065     0    0.047   0.058     1.240   83.690   83.238
LGA    L    75_B      L    75_B     0.961     0    0.018   0.267     1.433   88.214   87.083
LGA    A    76_B      A    76_B     0.850     0    0.071   0.072     1.065   92.857   90.571
LGA    A    77_B      A    77_B     0.739     0    0.074   0.074     0.992   90.476   90.476
LGA    A    78_B      A    78_B     0.963     0    0.140   0.169     1.604   83.810   85.143
LGA    K    79_B      K    79_B     0.786     0    0.048   1.344     5.687   88.214   64.021
LGA    T    80_B      T    80_B     1.112     0    0.059   1.026     2.739   83.690   78.163
LGA    P    81_B      P    81_B     2.123     0    0.045   0.044     2.697   68.810   64.898
LGA    E    82_B      E    82_B     2.192     4    0.010   0.032     2.505   68.810   36.931
LGA    E    83_B      E    83_B     1.345     4    0.029   0.028     1.683   79.286   44.286
LGA    K    84_B      K    84_B     1.134     0    0.011   0.368     2.165   81.429   77.672
LGA    I    85_B      I    85_B     1.806     0    0.027   1.073     2.764   72.857   67.917
LGA    A    86_B      A    86_B     1.617     0    0.051   0.055     1.729   77.143   76.286
LGA    V    87_B      V    87_B     0.895     0    0.042   0.112     1.087   88.214   89.184
LGA    F    88_B      F    88_B     0.929     0    0.043   0.461     1.126   90.476   89.697
LGA    R    89_B      R    89_B     1.331     0    0.031   0.936     4.270   81.429   66.494
LGA    E    90_B      E    90_B     1.280     0    0.030   0.117     1.794   81.429   77.619
LGA    Y    91_B      Y    91_B     0.736     0    0.066   0.160     1.543   90.476   86.746
LGA    N    92_B      N    92_B     0.779     0    0.019   0.758     3.199   90.476   83.155
LGA    A    93_B      A    93_B     0.872     0    0.041   0.049     0.973   90.476   90.476
LGA    R    94_B      R    94_B     0.816     0    0.030   0.700     2.896   90.476   80.346
LGA    F    95_B      F    95_B     0.500     0    0.037   1.206     7.206   92.857   60.043
LGA    L    96_B      L    96_B     0.699     0    0.014   0.427     1.994   90.476   87.143
LGA    A    97_B      A    97_B     0.880     0    0.040   0.045     0.954   90.476   90.476
LGA    E    98_B      E    98_B     0.786     0    0.036   0.659     3.369   90.476   78.413
LGA    F    99_B      F    99_B     0.436     0    0.046   0.093     0.685   95.238   95.671
LGA    D   100_B      D   100_B     0.517     0    0.013   0.280     1.233   92.857   91.726
LGA    A   101_B      A   101_B     0.372     0    0.068   0.069     0.893   97.619   98.095
LGA    L   102_B      L   102_B     0.245     0    0.043   0.659     3.380   97.619   81.905
LGA    I   103_B      I   103_B     0.982     0    0.019   0.254     1.458   85.952   83.690
LGA    D   104_B      D   104_B     1.542     0    0.023   0.267     2.879   77.143   70.060
LGA    Q   105_B      Q   105_B     0.898     0    0.063   1.220     4.581   88.214   76.349
LGA    A   106_B      A   106_B     1.284     0    0.021   0.023     1.820   79.405   79.810
LGA    F   107_B      F   107_B     2.723     0    0.109   0.288     4.847   59.048   45.844
LGA    A   108_B      A   108_B     2.488     0    0.036   0.052     2.488   64.762   64.762
LGA    R   109_B      R   109_B     1.569     0    0.094   0.948     3.343   70.833   74.069
LGA    L   110_B      L   110_B     2.512     3    0.056   0.061     3.266   57.262   35.774
LGA    K   111_B      K   111_B     3.540     2    0.377   0.524     6.821   36.429   24.074
LGA    A   112_B      A   112_B     9.387     0    0.608   0.601    11.078    2.976    2.381
LGA    D   113_B      D   113_B    11.135     0    0.015   0.385    14.187    0.000    0.000
LGA    S   114_B      S   114_B    11.365     0    0.650   0.579    12.484    0.000    0.000
LGA    L   115_B      L   115_B    16.176     0    0.582   1.302    19.226    0.000    0.000
LGA    T   116_B      T   116_B    19.529     0    0.626   0.524    22.394    0.000    0.000
LGA    L   117_B      L   117_B    17.623     0    0.622   0.479    20.522    0.000    0.000
LGA    K   118_B      K   118_B    22.834     0    0.630   0.562    24.377    0.000    0.000
LGA    I   119_B      I   119_B    27.631     0    0.636   0.676    30.449    0.000    0.000
LGA    H   120_B      H   120_B    26.754     0    0.630   1.020    27.184    0.000    0.000
LGA    L   121_B      L   121_B    28.949     0    0.646   0.717    31.083    0.000    0.000
LGA    S   122_B      S   122_B    34.935     0    0.648   0.622    36.991    0.000    0.000
LGA    Q   123_B      Q   123_B    36.967     4    0.199   0.206    37.690    0.000    0.000
LGA    G   124_B      G   124_B    31.633     0    0.697   0.697    33.371    0.000    0.000
LGA    K   125_B      K   125_B    29.819     4    0.262   0.334    30.818    0.000    0.000
LGA    G   126_B      G   126_B    25.666     0    0.696   0.696    26.834    0.000    0.000
LGA    S   127_B      S   127_B    20.039     0    0.117   0.277    21.774    0.000    0.000
LGA    Y   128_B      Y   128_B    17.722     0    0.164   1.371    21.286    0.000    0.000
LGA    E   129_B      E   129_B    13.349     0    0.033   1.027    14.478    0.000    0.000
LGA    I   130_B      I   130_B    12.603     0    0.127   0.300    13.496    0.000    0.000
LGA    I   131_B      I   131_B    12.393     0    0.113   0.217    13.365    0.000    0.000
LGA    F   132_B      F   132_B    15.137     0    0.058   1.240    15.927    0.000    0.000
LGA    P   133_B      P   133_B    18.594     0    0.032   0.132    20.232    0.000    0.000
LGA    P   134_B      P   134_B    21.862     0    0.616   0.802    26.265    0.000    0.000
LGA    E   135_B      E   135_B    26.664     4    0.515   0.467    30.451    0.000    0.000
LGA    V   136_B      V   136_B    28.187     0    0.667   0.527    28.854    0.000    0.000
LGA    Q   137_B      Q   137_B    29.421     4    0.590   0.566    32.507    0.000    0.000
LGA    A   138_B      A   138_B    31.079     0    0.647   0.607    34.305    0.000    0.000
LGA    D   139_B      D   139_B    34.808     0    0.268   1.090    36.626    0.000    0.000
LGA    P   140_B      P   140_B    36.355     0    0.052   0.134    40.050    0.000    0.000
LGA    E   141_B      E   141_B    36.468     0    0.063   1.204    41.307    0.000    0.000
LGA    R   142_B      R   142_B    30.284     0    0.080   1.055    32.656    0.000    0.000
LGA    A   143_B      A   143_B    29.056     0    0.027   0.031    30.200    0.000    0.000
LGA    A   144_B      A   144_B    32.771     0    0.011   0.017    35.296    0.000    0.000
LGA    A   145_B      A   145_B    28.887     0    0.008   0.016    30.343    0.000    0.000
LGA    I   146_B      I   146_B    24.090     0    0.022   0.383    25.837    0.000    0.000
LGA    E   147_B      E   147_B    27.996     0    0.017   0.799    33.271    0.000    0.000
LGA    A   148_B      A   148_B    30.377     0    0.045   0.044    31.371    0.000    0.000
LGA    L   149_B      L   149_B    25.025     0    0.053   1.358    26.613    0.000    0.000
LGA    W   150_B      W   150_B    24.650     0    0.025   0.469    27.367    0.000    0.000
LGA    K   151_B      K   151_B    30.944     4    0.009   0.022    32.891    0.000    0.000
LGA    P   152_B      P   152_B    33.189     0    0.044   0.162    33.318    0.000    0.000
LGA    T   153_B      T   153_B    28.911     0    0.013   0.972    29.990    0.000    0.000
LGA    L   154_B      L   154_B    28.989     0    0.050   1.256    31.738    0.000    0.000
LGA    D   155_B      D   155_B    35.609     0    0.015   0.153    38.633    0.000    0.000
LGA    Q   156_B      Q   156_B    36.266     0    0.015   0.964    38.136    0.000    0.000
LGA    L   157_B      L   157_B    32.473     0    0.008   0.580    34.621    0.000    0.000
LGA    L   158_B      L   158_B    35.504     0    0.017   0.987    39.021    0.000    0.000
LGA    A   159_B      A   159_B    41.605     0    0.014   0.020    43.533    0.000    0.000
LGA    V   160_B      V   160_B    40.493     0    0.027   0.165    42.055    0.000    0.000
LGA    L   161_B      L   161_B    38.461     0    0.037   0.332    41.477    0.000    0.000
LGA    Q   162_B      Q   162_B    43.514     0    0.013   0.692    47.130    0.000    0.000
LGA    E   163_B      E   163_B    48.298     3    0.095   0.546    50.881    0.000    0.000
LGA    K   164_B      K   164_B    45.929     4    0.072   0.077    47.735    0.000    0.000
LGA    H   165_B      H   165_B    46.027     0    0.330   1.436    48.409    0.000    0.000
LGA    K   166_B      K   166_B    52.261     2    0.571   0.464    56.125    0.000    0.000
LGA    G   167_B      G   167_B    52.292     0    0.066   0.066    53.225    0.000    0.000
LGA    K   168_B      K   168_B    50.134     0    0.072   0.656    55.609    0.000    0.000
LGA    P   169_B      P   169_B    45.712     0    0.095   0.341    49.657    0.000    0.000
LGA    A   170_B      A   170_B    39.080     0    0.015   0.018    41.311    0.000    0.000
LGA    T   171_B      T   171_B    38.515     0    0.026   0.092    42.282    0.000    0.000
LGA    T   172_B      T   172_B    32.635     0    0.028   0.179    35.094    0.000    0.000
LGA    V   173_B      V   173_B    29.303     0    0.072   0.342    31.250    0.000    0.000
LGA    T   174_B      T   174_B    25.397     0    0.065   0.395    28.119    0.000    0.000
LGA    Y   175_B      Y   175_B    20.387     0    0.094   0.181    25.094    0.000    0.000
LGA    E   176_B      E   176_B    18.002     0    0.092   0.960    22.596    0.000    0.000
LGA    I   177_B      I   177_B    14.414     0    0.055   0.184    14.976    0.000    0.000
LGA    S   178_B      S   178_B    13.231     0    0.122   0.201    14.000    0.000    0.000
LGA    A   179_B      A   179_B    10.053     0    0.147   0.147    11.052    0.000    0.286
LGA    E   180_B      E   180_B    11.677     0    0.014   0.815    16.503    0.000    0.000
LGA    T   181_B      T   181_B    13.579     0    0.030   1.132    15.965    0.000    0.000
LGA    L   182_B      L   182_B    11.825     0    0.055   1.344    12.300    0.000    0.000
LGA    R   183_B      R   183_B    10.283     0    0.027   0.810    11.076    0.000    1.255
LGA    A   184_B      A   184_B    12.620     0    0.025   0.030    13.442    0.000    0.000
LGA    A   185_B      A   185_B    13.617     0    0.024   0.035    14.044    0.000    0.000
LGA    V   186_B      V   186_B    11.635     0    0.052   0.108    12.096    0.000    0.000
LGA    A   187_B      A   187_B    11.421     0    0.078   0.079    12.798    0.000    0.000
LGA    A   188_B      A   188_B    14.054     0    0.010   0.020    14.878    0.000    0.000
LGA    L   189_B      L   189_B    14.197     0    0.064   0.576    16.204    0.000    0.000
LGA    A   190_B      A   190_B    12.193     0    0.026   0.026    12.742    0.000    0.000
LGA    R   191_B      R   191_B    13.286     0    0.036   0.827    14.513    0.000    0.000
LGA    A   192_B      A   192_B    15.607     0    0.055   0.067    16.096    0.000    0.000
LGA    A   193_B      A   193_B    14.783     0    0.023   0.025    15.079    0.000    0.000
LGA    E   194_B      E   194_B    13.992     0    0.029   0.465    14.939    0.000    0.000
LGA    A   195_B      A   195_B    15.942     0    0.051   0.050    17.118    0.000    0.000
LGA    A   196_B      A   196_B    17.015     0    0.024   0.028    17.194    0.000    0.000
LGA    L   197_B      L   197_B    15.785     0    0.021   0.833    16.094    0.000    0.000
LGA    R   198_B      R   198_B    15.708     0    0.036   1.473    16.857    0.000    0.000
LGA    R   199_B      R   199_B    17.801     0    0.014   0.815    19.894    0.000    0.000
LGA    K   200_B      K   200_B    17.835     0    0.065   0.442    18.263    0.000    0.000
LGA    V   201_B      V   201_B    16.797     0    0.061   1.261    17.232    0.000    0.000
LGA    G   202_B      G   202_B    17.798     0    0.169   0.169    18.410    0.000    0.000
LGA    S   203_B      S   203_B    19.262     1    0.585   0.595    19.618    0.000    0.000
LGA    L   204_B      L   204_B    19.177     3    0.197   0.208    20.060    0.000    0.000
LGA    E   205_B      E   205_B    20.895     4    0.288   0.278    21.698    0.000    0.000
LGA    S   206_B      S   206_B    22.702     1    0.024   0.033    24.538    0.000    0.000
LGA    S   207_B      S   207_B    24.196     0    0.164   0.193    25.951    0.000    0.000
LGA    G   208_B      G   208_B    21.902     0    0.685   0.685    22.814    0.000    0.000
LGA    L   209_B      L   209_B    24.569     3    0.108   0.112    26.454    0.000    0.000
LGA    E   210_B      E   210_B    26.143     4    0.437   0.408    28.228    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):    16.387         16.377                 16.268           27.214   25.409

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     68    1.43    32.729    28.865     4.458

LGA_LOCAL      RMSD:   1.425  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.848  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  16.387  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.898195 * X  +   0.180289 * Y  +  -0.400926 * Z  + -28.375059
  Y_new =  -0.435987 * X  +   0.481992 * Y  +  -0.760000 * Z  +   0.981406
  Z_new =   0.056223 * X  +   0.857426 * Y  +   0.511526 * Z  + -10.336901 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.451902 -0.056253  1.032893   [DEG:  -25.8921   -3.2230   59.1804 ]
ZXZ: -0.485432  1.033836  0.065478   [DEG:  -27.8132   59.2345    3.7516 ]
 
# END of job
