
#######################################################
#                                                     #
#                        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:    73       8_B - 80_B        4.93    10.06
  LONGEST_CONTINUOUS_SEGMENT:    73     138_B - 210_B       4.98     9.87
  LCS_AVERAGE:     28.95

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28     182_B - 209_B       1.88    10.28
  LCS_AVERAGE:      6.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22     184_B - 205_B       0.94    10.68
  LCS_AVERAGE:      4.51

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      3    3   17      0    3    3    3    3    3    4    6   11   12   14   16   19   23   25   26   28   30   33   34 
LCS_GDT     D     5_B     D     5_B      4    5   18      4    5    5    7    7    8    8    9   11   16   17   19   20   23   25   26   28   30   33   54 
LCS_GDT     F     6_B     F     6_B      4    5   22      4    5    5    7    7    8    8   10   12   16   17   28   38   42   50   59   72   88  115  135 
LCS_GDT     T     7_B     T     7_B      4   13   72      4    5    5    7   11   13   15   22   27   34   39   44   65   75   89  105  118  126  146  154 
LCS_GDT     G     8_B     G     8_B     10   13   73      7    9   11   12   13   24   30   34   48   64   76  100  113  129  145  155  161  166  172  175 
LCS_GDT     A     9_B     A     9_B     10   13   73      7    9   11   12   14   24   30   34   52   64   90  114  127  138  147  155  161  167  172  175 
LCS_GDT     R    10_B     R    10_B     10   13   73      7    9   11   12   13   37   49   70   89  105  116  128  135  142  147  155  161  167  172  175 
LCS_GDT     E    11_B     E    11_B     10   13   73      7   14   21   27   42   61   74   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R    12_B     R    12_B     10   13   73      7    9   11   19   40   52   71   85   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     F    13_B     F    13_B     10   13   73      7    9   13   31   48   64   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    14_B     L    14_B     10   13   73      7    9   20   32   42   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    15_B     A    15_B     10   14   73      6   20   26   37   46   57   71   83   93  104  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     G    16_B     G    16_B     10   14   73      5    9   18   23   36   51   68   77   88  104  116  127  134  142  147  155  161  167  172  175 
LCS_GDT     D    17_B     D    17_B     10   14   73      3    5   22   27   38   54   69   80   94  104  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     V    18_B     V    18_B     11   14   73      8   20   32   40   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     T    19_B     T    19_B     11   14   73     13   18   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     I    20_B     I    20_B     11   14   73      5   11   24   35   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     V    21_B     V    21_B     11   14   73      9   19   26   37   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    22_B     L    22_B     11   14   73     15   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    23_B     L    23_B     11   14   73      5   11   13   18   37   58   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     I    24_B     I    24_B     11   14   73      5   11   13   18   35   58   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    25_B     A    25_B     11   14   73      5   11   13   26   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E    26_B     E    26_B     11   14   73      5   11   13   15   26   42   63   79   91  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     S    27_B     S    27_B     11   14   73      5   11   12   15   23   31   50   69   82   97  113  125  135  142  147  155  161  167  172  175 
LCS_GDT     H    28_B     H    28_B     11   14   73      3    7   10   14   17   23   38   60   79   96  113  124  135  142  147  155  161  167  172  175 
LCS_GDT     D    29_B     D    29_B      5   13   73      3    9   23   32   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    30_B     A    30_B      5   13   73      3    7   14   31   45   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     P    31_B     P    31_B      5    6   73      3    4    5   12   21   44   61   80   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     Y    32_B     Y    32_B      5    6   73      3    4    8    8   21   35   56   66   92   97  115  129  135  142  147  155  161  167  172  175 
LCS_GDT     R    33_B     R    33_B      5    6   73      3    4    8   12   21   44   56   77   92   97  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    34_B     L    34_B      4    6   73      3    6   12   22   34   48   66   79   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    35_B     A    35_B      4    6   73      3    6   12   25   34   53   67   82   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     N    36_B     N    36_B      4    5   73      3    3    5    5    9   13   28   46   62   75   92  110  127  137  146  154  160  167  172  175 
LCS_GDT     P    37_B     P    37_B      3    5   73      3    3    3    8   10   16   23   44   59   75   92  108  129  140  147  155  161  167  172  175 
LCS_GDT     E    38_B     E    38_B      3    5   73      3    3    4    6   19   20   29   41   47   61   79   94  115  129  142  151  158  166  171  175 
LCS_GDT     D    39_B     D    39_B      3    5   73      3    3    4    9   19   20   34   42   51   61   85  104  122  135  146  152  160  167  172  175 
LCS_GDT     P    40_B     P    40_B      3    5   73      0    3    4    9   20   28   38   54   77   94  107  121  134  142  147  155  161  167  172  175 
LCS_GDT     E    41_B     E    41_B      3    5   73      3    3    4    6   19   24   30   48   64   84  103  117  128  140  147  155  161  167  172  175 
LCS_GDT     A    42_B     A    42_B      5   23   73      3    3    5    5    5    9   28   49   62   92  111  121  134  142  147  155  161  167  172  175 
LCS_GDT     D    43_B     D    43_B      5   23   73      3    4   13   21   33   47   66   77   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    44_B     L    44_B      5   23   73      3    4    8   13   34   47   64   77   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     S    45_B     S    45_B     20   23   73      5   21   26   38   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     D    46_B     D    46_B     20   23   73      5   21   24   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E    47_B     E    47_B     20   23   73      7   21   25   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     Q    48_B     Q    48_B     20   23   73      7   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    49_B     L    49_B     20   23   73     15   21   26   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E    50_B     E    50_B     20   23   73     15   21   25   39   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R    51_B     R    51_B     20   23   73     15   21   26   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    52_B     A    52_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    53_B     L    53_B     20   23   73     15   21   26   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    54_B     A    54_B     20   23   73     15   21   26   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    55_B     A    55_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     Y    56_B     Y    56_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    57_B     L    57_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     T    58_B     T    58_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    59_B     L    59_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     V    60_B     V    60_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E    61_B     E    61_B     20   23   73     15   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     T    62_B     T    62_B     20   23   73     15   21   25   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    63_B     L    63_B     20   23   73     11   21   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     F    64_B     F    64_B     20   23   73      3   20   32   40   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     P    65_B     P    65_B     18   23   73      3    7   14   28   38   59   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E    66_B     E    66_B      4   22   73      3    4    8   13   26   43   56   74   92  103  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    67_B     L    67_B      4   12   73      3    5    7   12   19   25   42   55   73   87  102  121  131  139  146  153  161  166  172  175 
LCS_GDT     Y    68_B     Y    68_B      4   12   73      4    4    6   10   11   19   28   44   67   83  106  125  133  142  146  154  161  167  172  175 
LCS_GDT     A    69_B     A    69_B      4   12   73      4    4    7   20   36   52   71   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E    70_B     E    70_B      9   12   73      4   14   24   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     M    71_B     M    71_B      9   12   73      4    8    9   15   26   44   60   79   92  105  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     K    72_B     K    72_B      9   12   73      4    8    9   11   24   38   58   79   92  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    73_B     A    73_B      9   12   73      6    8    9   12   17   37   63   79   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    74_B     A    74_B      9   12   73      6    8    9   14   31   50   68   79   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L    75_B     L    75_B      9   12   73      6    8    9   10   20   33   47   72   88  104  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    76_B     A    76_B      9   12   73      6    8    9   10   11   16   20   42   64   85  104  122  134  142  147  155  161  167  172  175 
LCS_GDT     A    77_B     A    77_B      9   12   73      6    8    9   10   15   19   24   48   85  101  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    78_B     A    78_B      9   12   73      6    8    9   10   23   33   55   72   88  105  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     K    79_B     K    79_B      4    6   73      3    3    4    6   10   20   27   37   51   70   89  109  126  136  146  154  161  166  172  175 
LCS_GDT     T    80_B     T    80_B      4    6   73      3    3    4    5    9   11   18   21   31   41   48   67   77  107  118  133  151  159  168  172 
LCS_GDT     P    81_B     P    81_B      4    5   72      3    3    4    4    5    7   10   14   17   24   28   34   53   61   74  100  118  129  153  157 
LCS_GDT     E    82_B     E    82_B      4    5   56      3    3    4    5    6    7   11   14   15   18   26   30   38   44   53   76   90  102  128  139 
LCS_GDT     E    83_B     E    83_B      4    5   56      3    3    4    4    6   10   13   19   27   33   40   50   60   66  101  108  121  137  155  165 
LCS_GDT     K    84_B     K    84_B      4    8   25      4    4    5    6    8    9    9    9   17   19   25   30   38   44   53   58   83  109  123  134 
LCS_GDT     I    85_B     I    85_B      4    8   25      4    4    5    6    8    9    9   15   18   22   29   35   43   50   54   61   69   86   99  134 
LCS_GDT     A    86_B     A    86_B      4    8   25      4    4    5    6    8    9    9   12   16   20   28   38   46   51   67   85   91  105  119  135 
LCS_GDT     V    87_B     V    87_B      5    8   25      5    5    6    7   10   18   26   32   40   48   66   78  103  124  140  150  158  166  171  175 
LCS_GDT     F    88_B     F    88_B      5    8   25      5    5    6    7   11   13   18   24   40   50   66   90  113  132  142  151  160  166  172  175 
LCS_GDT     R    89_B     R    89_B      5    8   22      5    5    6    7    8   11   26   32   40   46   61   78  104  120  139  149  158  166  171  175 
LCS_GDT     E    90_B     E    90_B      5    8   27      5    5    6    7   10   13   18   37   53   72  102  113  129  139  146  154  161  167  172  175 
LCS_GDT     Y    91_B     Y    91_B      5    8   27      5    6   16   29   45   62   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     N    92_B     N    92_B      4    7   27      3    6   16   31   45   62   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A    93_B     A    93_B      4    7   27      3    4   11   20   38   59   73   84   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R    94_B     R    94_B      5    8   27      3    5   11   18   28   46   66   77   92  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     F    95_B     F    95_B      5    8   27      4    5    6    7    9   17   24   35   52   64   94  111  127  138  147  155  161  167  172  175 
LCS_GDT     L    96_B     L    96_B      5    8   27      4    5    5    7    8   12   17   27   37   52   81  111  127  138  147  155  161  167  172  175 
LCS_GDT     A    97_B     A    97_B      5    8   27      4    5    5    7   17   39   54   71   91  105  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E    98_B     E    98_B      5    8   27      4    5    6   13   18   24   40   61   79   94  112  125  134  142  147  155  161  167  172  175 
LCS_GDT     F    99_B     F    99_B      4    8   27      3    4    4    7    8   10   16   26   31   46   76  105  126  138  147  155  161  167  172  175 
LCS_GDT     D   100_B     D   100_B      5    8   27      3    5    6    7    8   13   34   71   88  104  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   101_B     A   101_B      5    8   27      3    5    7   18   34   60   73   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   102_B     L   102_B      5    6   27      3    5   15   27   41   61   75   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     I   103_B     I   103_B      5    6   27      3    5    9   23   37   52   71   84   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     D   104_B     D   104_B      5    6   27      4    5   11   19   32   46   72   84   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     Q   105_B     Q   105_B      5    6   27      4    4    6    7   10   34   47   55   72   88  107  122  134  142  147  155  161  167  172  175 
LCS_GDT     A   106_B     A   106_B      4    5   27      4    4    6   10   11   12   30   39   51   88   96  114  127  140  147  154  161  167  172  175 
LCS_GDT     F   107_B     F   107_B      4    8   27      4    4    5   18   34   51   69   82   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   108_B     A   108_B      4    8   27      3    7   19   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R   109_B     R   109_B      4    8   27      3    4   13   24   41   61   75   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   110_B     L   110_B      4    8   27      3    4    5    8   28   45   71   85   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     K   111_B     K   111_B      5    8   27      4    5    5    6    8    9   10   13   61   75   96  109  127  139  146  154  161  167  172  175 
LCS_GDT     A   112_B     A   112_B      5    8   27      4    9   16   31   45   59   75   85   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     D   113_B     D   113_B      5    8   27      4   14   24   35   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     S   114_B     S   114_B      5    8   27      4    5   13   32   45   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   115_B     L   115_B      5    8   27      4    6   20   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     T   116_B     T   116_B      4    7   27      3    3    4    7   15   40   54   73   91  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   117_B     L   117_B      4    5   27      3    3    4    5    6   10   15   22   32   58   80  106  121  134  142  153  161  167  172  175 
LCS_GDT     K   118_B     K   118_B      5    7   25      3    3    4    5   10   11   13   15   18   21   25   34   46   53   59  109  125  144  156  165 
LCS_GDT     I   119_B     I   119_B      5    7   25      4    4    5    5    7    8    9   13   16   19   25   30   36   41   44   49   62   74  104  126 
LCS_GDT     H   120_B     H   120_B      5    7   25      4    4    5    5    7   11   13   14   16   20   25   30   36   41   44   53   67   91  116  126 
LCS_GDT     L   121_B     L   121_B      5    7   25      4    4    5    5    7    8    9   12   16   19   24   30   35   41   44   45   49   54   61   68 
LCS_GDT     S   122_B     S   122_B      5    7   25      4    4    5    5    7    8   11   12   16   19   25   30   36   41   44   45   49   56   62   68 
LCS_GDT     Q   123_B     Q   123_B      5    7   25      3    4    5    5    7    8    9   12   16   19   24   28   32   39   42   45   48   52   58   62 
LCS_GDT     G   124_B     G   124_B      3    7   25      3    3    4    5    6    8    9   12   16   19   24   30   35   41   44   45   49   53   58   61 
LCS_GDT     K   125_B     K   125_B      3    9   25      3    3    4    5    8   10   12   14   16   19   22   30   36   41   44   45   49   53   58   66 
LCS_GDT     G   126_B     G   126_B      6   10   25      3    5    7    8    8   11   12   14   16   19   24   30   36   41   44   45   59   68   79   92 
LCS_GDT     S   127_B     S   127_B      7   10   25      3    5    7    9    9   11   12   14   15   17   24   30   36   41   44   45   58   85  107  112 
LCS_GDT     Y   128_B     Y   128_B      7   10   25      3    5    7    9    9   11   12   14   15   17   21   28   35   41   44   45   51   60   75  109 
LCS_GDT     E   129_B     E   129_B      7   10   22      3    5    7    9    9   11   12   14   15   17   17   20   22   33   38   43   47   52   63   79 
LCS_GDT     I   130_B     I   130_B      7   10   22      4    6    7    9    9   11   12   14   15   17   17   20   22   25   34   40   44   52   64   84 
LCS_GDT     I   131_B     I   131_B      7   10   30      4    6    7    9    9   11   12   14   15   17   17   20   22   25   31   40   45   51   61   72 
LCS_GDT     F   132_B     F   132_B      7   10   30      4    6    7    9    9   11   12   14   15   17   21   24   27   30   53   57   90  141  160  173 
LCS_GDT     P   133_B     P   133_B      7   10   30      4    6    7    9    9   11   12   17   21   24   26   32   39   51   78   96  112  122  150  166 
LCS_GDT     P   134_B     P   134_B      7   10   30      3    6    7    9   11   14   19   32   44   59   66   75   90  111  133  147  155  161  165  170 
LCS_GDT     E   135_B     E   135_B      7   10   30      1    6    7    9   10   15   28   46   68   89  105  115  127  140  146  152  158  166  172  175 
LCS_GDT     V   136_B     V   136_B      5    6   30      4    5    5    7   11   15   23   30   59   72   95  111  133  140  147  154  161  167  172  175 
LCS_GDT     Q   137_B     Q   137_B      5    8   30      4    5    5    6   10   15   35   42   45   72   79  102  111  126  140  149  158  161  168  171 
LCS_GDT     A   138_B     A   138_B      6    9   73      4    5    8   10   11   15   16   26   29   41   60   77   98  107  115  135  141  154  163  169 
LCS_GDT     D   139_B     D   139_B      6    9   73      5    6    8   23   45   47   59   70   84   99  113  120  129  141  147  155  161  167  172  175 
LCS_GDT     P   140_B     P   140_B      6    9   73      5    6    8   10   11   15   16   23   27   55   78   98  111  120  136  147  155  162  168  171 
LCS_GDT     E   141_B     E   141_B      6    9   73      5    6    8   10   11   15   47   58   76   90  104  123  132  142  147  154  161  167  172  175 
LCS_GDT     R   142_B     R   142_B      6    9   73      5   12   20   34   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   143_B     A   143_B      6    9   73      5    6    8   10   45   48   67   80   95  103  114  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   144_B     A   144_B      7   12   73      4    6    7   10   11   15   16   51   68   79  101  123  132  142  146  154  161  167  172  175 
LCS_GDT     A   145_B     A   145_B      7   14   73      4    6    7    9   12   17   24   31   51   66   81   96  112  126  136  152  160  163  167  173 
LCS_GDT     I   146_B     I   146_B      7   15   73      3    6    7   17   23   44   56   77   92   97  112  128  135  142  147  155  161  167  172  175 
LCS_GDT     E   147_B     E   147_B      7   15   73      4    9   19   26   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   148_B     A   148_B      7   15   73      4   10   16   27   37   49   72   85   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   149_B     L   149_B      7   15   73      4    6    9   17   23   36   56   77   92  100  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     W   150_B     W   150_B     11   15   73      6   11   11   12   20   29   47   77   92   98  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     K   151_B     K   151_B     11   15   73     10   11   11   23   38   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     P   152_B     P   152_B     11   15   73     10   11   19   34   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     T   153_B     T   153_B     11   15   73     10   11   11   14   22   36   63   77   92  103  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   154_B     L   154_B     11   15   73     10   11   11   12   18   33   55   72   86  104  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     D   155_B     D   155_B     11   15   73     10   11   11   22   41   57   74   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     Q   156_B     Q   156_B     11   15   73     10   11   22   33   47   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   157_B     L   157_B     11   15   73     10   11   11   12   14   24   47   72   88  104  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   158_B     L   158_B     11   15   73     10   11   11   12   14   20   31   55   77   94  108  121  134  142  147  155  161  167  172  175 
LCS_GDT     A   159_B     A   159_B     11   15   73     10   11   11   12   14   44   60   72   90  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     V   160_B     V   160_B     11   15   73     10   11   11   12   14   27   48   63   90  104  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   161_B     L   161_B      3   14   73      3    3    3    6   14   28   39   49   59   83   94  108  124  136  146  154  161  167  172  175 
LCS_GDT     Q   162_B     Q   162_B      5   11   73      3    5   16   23   34   55   69   80   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E   163_B     E   163_B      5   11   73      4    5    5   29   45   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     K   164_B     K   164_B      5   11   73      9   19   26   38   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     H   165_B     H   165_B      5   11   73      4    5    8   26   45   62   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     K   166_B     K   166_B      5   11   73      4   17   32   40   47   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     G   167_B     G   167_B      6   11   73      5    6    7    8   10   13   14   26   56   89  102  115  130  140  146  155  161  167  172  175 
LCS_GDT     K   168_B     K   168_B      6   11   73      5    6    7    8   10   13   14   25   33   68   94  115  127  139  146  155  161  167  172  175 
LCS_GDT     P   169_B     P   169_B      6   11   73      5    6    7    8   10   13   14   18   30   69   94  108  127  139  146  154  161  167  172  175 
LCS_GDT     A   170_B     A   170_B      6   11   73      5    6    7    8   10   13   45   63   86  100  114  124  135  142  147  155  161  167  172  175 
LCS_GDT     T   171_B     T   171_B      6   11   73      5    6    7    8   10   28   35   61   79  100  114  124  135  142  147  155  161  167  172  175 
LCS_GDT     T   172_B     T   172_B      6   11   73      4    6    9   18   32   51   60   77   92  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     V   173_B     V   173_B      5    8   73      3    5    6   10   27   47   63   82   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     T   174_B     T   174_B      5    8   73      3    5   24   35   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     Y   175_B     Y   175_B      5    8   73      3    6   21   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E   176_B     E   176_B      5    8   73      3   14   22   35   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     I   177_B     I   177_B      5    8   73      3    5   15   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     S   178_B     S   178_B      5    8   73      1    4    6   10   29   50   72   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   179_B     A   179_B      6    8   73      4    6    6    8   11   17   32   46   57   87   97  109  129  139  145  154  161  167  172  175 
LCS_GDT     E   180_B     E   180_B      6    8   73      4    6    6    9   11   17   24   46   65   83  103  118  133  142  147  155  161  167  172  175 
LCS_GDT     T   181_B     T   181_B      6   26   73      4    6    6    8   10   17   45   56   74   95  110  123  133  142  146  155  161  167  172  175 
LCS_GDT     L   182_B     L   182_B      6   28   73      9   19   26   37   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R   183_B     R   183_B      6   28   73      4   19   24   35   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   184_B     A   184_B     22   28   73      3    7   26   36   47   52   69   83   95  104  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   185_B     A   185_B     22   28   73     13   21   32   40   47   59   74   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     V   186_B     V   186_B     22   28   73     13   21   32   40   47   61   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   187_B     A   187_B     22   28   73     13   20   27   40   47   54   71   86   95  104  116  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   188_B     A   188_B     22   28   73      9   20   30   40   47   56   72   86   95  105  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   189_B     L   189_B     22   28   73     11   20   32   40   47   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   190_B     A   190_B     22   28   73     13   21   32   40   47   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R   191_B     R   191_B     22   28   73     13   20   32   40   47   61   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   192_B     A   192_B     22   28   73     13   20   32   40   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   193_B     A   193_B     22   28   73     11   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E   194_B     E   194_B     22   28   73     13   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   195_B     A   195_B     22   28   73     13   20   32   40   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     A   196_B     A   196_B     22   28   73     13   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   197_B     L   197_B     22   28   73     13   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R   198_B     R   198_B     22   28   73     13   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     R   199_B     R   199_B     22   28   73     13   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     K   200_B     K   200_B     22   28   73     13   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     V   201_B     V   201_B     22   28   73     13   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     G   202_B     G   202_B     22   28   73     11   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     S   203_B     S   203_B     22   28   73     11   20   32   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   204_B     L   204_B     22   28   73      3   12   30   38   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E   205_B     E   205_B     22   28   73      3    3    8   38   48   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     S   206_B     S   206_B      4   28   73      3   16   23   39   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     S   207_B     S   207_B      4   28   73      3    3    8   28   45   66   76   85   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     G   208_B     G   208_B      4   28   73      3    5   17   33   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     L   209_B     L   209_B      4   28   73      4   17   24   40   49   66   76   86   95  106  117  129  135  142  147  155  161  167  172  175 
LCS_GDT     E   210_B     E   210_B      0   26   73      0    4    8   19   35   49   64   84   95  104  116  129  135  142  147  155  161  167  172  175 
LCS_AVERAGE  LCS_A:  13.42  (   4.51    6.79   28.95 )

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     15     21     32     40     49     66     76     86     95    106    117    129    135    142    147    155    161    167    172    175 
GDT PERCENT_AT   7.25  10.14  15.46  19.32  23.67  31.88  36.71  41.55  45.89  51.21  56.52  62.32  65.22  68.60  71.01  74.88  77.78  80.68  83.09  84.54
GDT RMS_LOCAL    0.29   0.63   1.20   1.35   1.81   2.13   2.33   2.61   2.81   3.16   3.46   3.72   3.88   4.08   4.32   4.61   4.80   5.01   5.23   5.38
GDT RMS_ALL_AT   9.89  10.43  10.09  10.04   9.70   9.68   9.61   9.58   9.60   9.55   9.51   9.56   9.52   9.56   9.53   9.51   9.55   9.48   9.47   9.45

# Checking swapping
#   possible swapping detected:  F     6_B      F     6_B
#   possible swapping detected:  D    29_B      D    29_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  E    70_B      E    70_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:  D   100_B      D   100_B
#   possible swapping detected:  F   107_B      F   107_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:  E   141_B      E   141_B
#   possible swapping detected:  E   147_B      E   147_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    27.798     0    0.680   0.616    31.579    0.000    0.000
LGA    D     5_B      D     5_B    25.004     3    0.631   0.598    26.476    0.000    0.000
LGA    F     6_B      F     6_B    18.428     0    0.209   1.268    24.943    0.000    0.000
LGA    T     7_B      T     7_B    16.717     0    0.118   1.269    20.073    0.000    0.000
LGA    G     8_B      G     8_B    10.843     0    0.248   0.248    12.824    1.310    1.310
LGA    A     9_B      A     9_B     9.472     0    0.037   0.038    10.888    5.476    4.381
LGA    R    10_B      R    10_B     7.191     6    0.054   0.056     8.237   19.524    7.532
LGA    E    11_B      E    11_B     3.904     0    0.051   0.937     7.211   46.071   32.222
LGA    R    12_B      R    12_B     4.421     0    0.079   1.096    12.114   47.619   20.909
LGA    F    13_B      F    13_B     2.670     0    0.063   1.217     4.752   59.048   48.701
LGA    L    14_B      L    14_B     3.252     3    0.090   0.093     5.659   44.881   28.690
LGA    A    15_B      A    15_B     5.221     0    0.072   0.083     7.822   25.119   24.381
LGA    G    16_B      G    16_B     5.955     0    0.064   0.064     6.459   21.548   21.548
LGA    D    17_B      D    17_B     5.171     0    0.317   1.026     6.424   34.524   27.440
LGA    V    18_B      V    18_B     3.178     0    0.108   1.267     6.238   56.190   47.891
LGA    T    19_B      T    19_B     1.334     0    0.130   1.202     3.890   86.190   77.619
LGA    I    20_B      I    20_B     1.865     0    0.017   0.589     4.046   77.262   62.917
LGA    V    21_B      V    21_B     2.400     0    0.077   0.132     4.861   75.357   59.932
LGA    L    22_B      L    22_B     1.765     0    0.023   1.002     3.517   72.976   68.452
LGA    L    23_B      L    23_B     3.296     0    0.176   1.371     8.196   50.476   34.762
LGA    I    24_B      I    24_B     3.557     0    0.032   0.512     4.141   45.119   45.119
LGA    A    25_B      A    25_B     2.677     0    0.153   0.166     4.745   47.262   52.381
LGA    E    26_B      E    26_B     5.041     0    0.030   1.337     7.378   26.071   23.386
LGA    S    27_B      S    27_B     6.475     0    0.614   0.573     7.737   14.762   15.635
LGA    H    28_B      H    28_B     6.832     0    0.045   0.940    11.028   22.381    9.333
LGA    D    29_B      D    29_B     2.716     0    0.147   1.215     7.507   53.690   34.583
LGA    A    30_B      A    30_B     3.195     0    0.093   0.109     4.633   45.476   42.667
LGA    P    31_B      P    31_B     4.819     0    0.304   0.353     5.930   30.595   34.558
LGA    Y    32_B      Y    32_B     6.242     0    0.710   0.612     8.956   14.048   35.714
LGA    R    33_B      R    33_B     6.227     0    0.182   0.983    15.999   35.119   13.723
LGA    L    34_B      L    34_B     5.739     0    0.101   1.415    10.858   19.405   10.833
LGA    A    35_B      A    35_B     5.703     0    0.577   0.589     8.221   14.881   18.190
LGA    N    36_B      N    36_B    11.521     3    0.428   0.415    13.668    0.119    0.060
LGA    P    37_B      P    37_B    10.216     0    0.045   0.196    10.230    0.238    3.469
LGA    E    38_B      E    38_B    12.258     4    0.087   0.105    13.190    0.000    0.000
LGA    D    39_B      D    39_B    10.934     0    0.404   0.671    12.529    0.000    0.000
LGA    P    40_B      P    40_B     8.506     0    0.592   0.843     9.046    4.762    5.510
LGA    E    41_B      E    41_B     9.786     0    0.634   0.756    17.277    0.595    0.265
LGA    A    42_B      A    42_B     8.149     0    0.481   0.437     8.149    9.762    9.238
LGA    D    43_B      D    43_B     6.100     0    0.075   0.894    10.433   20.000   11.905
LGA    L    44_B      L    44_B     5.723     0    0.601   0.517     9.653   21.786   14.107
LGA    S    45_B      S    45_B     1.575     0    0.332   0.716     3.590   72.976   68.016
LGA    D    46_B      D    46_B     2.547     0    0.035   0.455     5.546   62.857   50.417
LGA    E    47_B      E    47_B     2.476     0    0.049   0.723     3.965   68.810   60.000
LGA    Q    48_B      Q    48_B     1.065     0    0.080   1.129     7.083   85.952   57.249
LGA    L    49_B      L    49_B     0.757     0    0.032   0.079     1.445   90.595   86.012
LGA    E    50_B      E    50_B     1.299     4    0.036   0.040     1.466   81.429   45.238
LGA    R    51_B      R    51_B     0.891     0    0.043   1.306     6.978   88.214   66.147
LGA    A    52_B      A    52_B     0.801     0    0.046   0.068     0.859   90.476   90.476
LGA    L    53_B      L    53_B     1.315     0    0.128   1.434     4.159   85.952   76.012
LGA    A    54_B      A    54_B     1.045     0    0.036   0.034     1.123   83.690   83.238
LGA    A    55_B      A    55_B     0.550     0    0.030   0.036     0.724   90.476   92.381
LGA    Y    56_B      Y    56_B     0.876     0    0.050   0.354     1.997   88.214   83.810
LGA    L    57_B      L    57_B     1.228     0    0.037   1.297     4.230   83.690   75.952
LGA    T    58_B      T    58_B     1.071     0    0.027   0.119     1.368   81.429   82.721
LGA    L    59_B      L    59_B     1.207     0    0.036   0.912     3.931   81.429   74.524
LGA    V    60_B      V    60_B     1.616     0    0.044   1.242     4.010   75.000   70.340
LGA    E    61_B      E    61_B     1.432     0    0.097   0.549     2.869   79.286   75.873
LGA    T    62_B      T    62_B     0.849     0    0.089   0.213     1.058   88.214   90.544
LGA    L    63_B      L    63_B     2.097     0    0.099   0.410     4.289   64.881   56.726
LGA    F    64_B      F    64_B     3.161     0    0.534   1.586    13.194   52.262   22.294
LGA    P    65_B      P    65_B     3.461     0    0.140   0.270     6.927   39.881   47.279
LGA    E    66_B      E    66_B     5.736     0    0.313   1.143     7.623   20.714   27.460
LGA    L    67_B      L    67_B     7.881     0    0.288   1.297    13.457    8.214    4.167
LGA    Y    68_B      Y    68_B     7.402     0    0.580   1.353    15.571   14.405    5.476
LGA    A    69_B      A    69_B     4.146     0    0.279   0.293     5.305   40.833   41.333
LGA    E    70_B      E    70_B     1.523     0    0.275   0.950     6.076   59.524   53.122
LGA    M    71_B      M    71_B     5.331     0    0.205   0.654     9.707   28.095   17.202
LGA    K    72_B      K    72_B     5.625     0    0.067   0.851     6.310   21.548   29.788
LGA    A    73_B      A    73_B     4.810     0    0.058   0.054     5.478   30.119   31.524
LGA    A    74_B      A    74_B     4.982     0    0.077   0.078     5.938   26.429   27.429
LGA    L    75_B      L    75_B     6.965     0    0.062   1.307     8.740   11.905   10.893
LGA    A    76_B      A    76_B     7.967     0    0.081   0.084     8.365    7.857    7.238
LGA    A    77_B      A    77_B     6.511     0    0.251   0.272     6.825   14.286   15.714
LGA    A    78_B      A    78_B     6.596     0    0.567   0.553     8.765    9.524   15.048
LGA    K    79_B      K    79_B    11.506     0    0.615   1.553    14.661    0.119    0.053
LGA    T    80_B      T    80_B    15.073     0    0.723   0.793    15.589    0.000    0.000
LGA    P    81_B      P    81_B    17.740     0    0.636   0.787    19.071    0.000    0.000
LGA    E    82_B      E    82_B    19.737     4    0.321   0.335    20.879    0.000    0.000
LGA    E    83_B      E    83_B    16.505     4    0.590   0.568    17.440    0.000    0.000
LGA    K    84_B      K    84_B    19.423     0    0.621   0.873    24.491    0.000    0.000
LGA    I    85_B      I    85_B    19.927     0    0.046   1.044    24.565    0.000    0.000
LGA    A    86_B      A    86_B    18.229     0    0.198   0.224    20.112    0.000    0.000
LGA    V    87_B      V    87_B    12.485     0    0.219   1.309    14.812    0.714    0.408
LGA    F    88_B      F    88_B    11.624     0    0.085   1.279    14.524    1.190    0.433
LGA    R    89_B      R    89_B    10.948     0    0.039   1.032    22.400    1.071    0.390
LGA    E    90_B      E    90_B     7.683     0    0.334   0.808    11.452   19.643   10.000
LGA    Y    91_B      Y    91_B     3.527     0    0.668   1.147     6.317   40.476   32.143
LGA    N    92_B      N    92_B     3.325     0    0.040   1.231     5.850   43.690   40.238
LGA    A    93_B      A    93_B     4.466     0    0.221   0.221     6.389   29.762   31.238
LGA    R    94_B      R    94_B     6.622     0    0.543   1.239     9.550   14.524   14.892
LGA    F    95_B      F    95_B    10.055     0    0.332   1.242    17.519    0.357    0.130
LGA    L    96_B      L    96_B     9.455     0    0.224   0.385    12.341    1.548    0.952
LGA    A    97_B      A    97_B     6.553     0    0.390   0.388     7.350   16.667   17.619
LGA    E    98_B      E    98_B     8.314     0    0.291   1.182    14.297    4.286    1.958
LGA    F    99_B      F    99_B     9.964     0    0.202   1.221    14.970    1.548    0.563
LGA    D   100_B      D   100_B     5.852     0    0.584   1.250     7.879   30.476   23.690
LGA    A   101_B      A   101_B     3.946     0    0.374   0.394     5.095   39.048   39.905
LGA    L   102_B      L   102_B     3.694     0    0.239   0.498     6.490   45.000   34.107
LGA    I   103_B      I   103_B     4.731     0    0.068   0.885     9.714   28.571   20.357
LGA    D   104_B      D   104_B     4.874     0    0.600   0.546     5.481   31.548   34.345
LGA    Q   105_B      Q   105_B     8.350     0    0.234   0.951    17.205    5.595    2.487
LGA    A   106_B      A   106_B     9.478     0    0.196   0.203    11.155    3.571    2.857
LGA    F   107_B      F   107_B     5.291     0    0.637   1.437    12.264   33.571   16.277
LGA    A   108_B      A   108_B     2.125     0    0.170   0.169     3.074   63.095   61.905
LGA    R   109_B      R   109_B     3.572     0    0.155   0.712     5.711   40.952   35.801
LGA    L   110_B      L   110_B     4.477     3    0.627   0.579     4.601   35.833   23.333
LGA    K   111_B      K   111_B     7.577     2    0.274   0.895    11.674   12.262    5.503
LGA    A   112_B      A   112_B     4.149     0    0.078   0.080     5.031   50.476   49.048
LGA    D   113_B      D   113_B     3.197     0    0.171   1.085     7.846   45.357   31.310
LGA    S   114_B      S   114_B     3.271     0    0.089   0.198     5.881   59.167   47.381
LGA    L   115_B      L   115_B     2.028     0    0.173   0.675     7.669   44.048   34.286
LGA    T   116_B      T   116_B     6.148     0    0.533   1.343     8.535   21.786   18.367
LGA    L   117_B      L   117_B    10.212     0    0.154   1.467    13.255    0.714    0.357
LGA    K   118_B      K   118_B    15.504     0    0.606   0.921    20.276    0.000    0.000
LGA    I   119_B      I   119_B    19.800     0    0.134   0.979    24.735    0.000    0.000
LGA    H   120_B      H   120_B    20.846     0    0.006   0.088    24.986    0.000    0.000
LGA    L   121_B      L   121_B    26.449     0    0.078   0.230    29.414    0.000    0.000
LGA    S   122_B      S   122_B    28.826     0    0.200   0.644    32.550    0.000    0.000
LGA    Q   123_B      Q   123_B    32.614     4    0.218   0.215    35.516    0.000    0.000
LGA    G   124_B      G   124_B    34.266     0    0.546   0.546    34.266    0.000    0.000
LGA    K   125_B      K   125_B    30.770     4    0.627   0.602    31.705    0.000    0.000
LGA    G   126_B      G   126_B    24.943     0    0.647   0.647    27.487    0.000    0.000
LGA    S   127_B      S   127_B    20.748     0    0.025   0.748    22.340    0.000    0.000
LGA    Y   128_B      Y   128_B    18.948     0    0.045   0.287    19.352    0.000    0.000
LGA    E   129_B      E   129_B    17.649     0    0.057   0.990    19.985    0.000    0.000
LGA    I   130_B      I   130_B    15.807     0    0.063   1.339    16.206    0.000    0.000
LGA    I   131_B      I   131_B    16.074     0    0.029   0.165    20.384    0.000    0.000
LGA    F   132_B      F   132_B    13.064     0    0.181   1.292    14.980    0.000    0.476
LGA    P   133_B      P   133_B    15.758     0    0.038   0.173    16.866    0.000    0.000
LGA    P   134_B      P   134_B    14.617     0    0.629   0.584    18.985    0.000    0.000
LGA    E   135_B      E   135_B    10.645     4    0.634   0.618    12.605    0.238    0.106
LGA    V   136_B      V   136_B     9.683     0    0.641   0.518    11.631    2.381    1.361
LGA    Q   137_B      Q   137_B    12.276     4    0.191   0.204    14.514    0.000    0.000
LGA    A   138_B      A   138_B    13.690     0    0.058   0.078    14.858    0.000    0.000
LGA    D   139_B      D   139_B     7.822     0    0.353   0.468     9.459    7.262   20.238
LGA    P   140_B      P   140_B    10.583     0    0.033   0.154    13.738    0.833    0.476
LGA    E   141_B      E   141_B     7.758     0    0.052   1.217    11.046   11.667    5.979
LGA    R   142_B      R   142_B     1.457     0    0.192   1.520    12.911   71.429   37.835
LGA    A   143_B      A   143_B     5.593     0    0.345   0.352     8.455   22.262   18.762
LGA    A   144_B      A   144_B     7.876     0    0.528   0.533     8.772   10.357    8.857
LGA    A   145_B      A   145_B     9.250     0    0.088   0.097    11.260    5.357    4.286
LGA    I   146_B      I   146_B     6.102     0    0.092   0.800     9.781   26.190   16.429
LGA    E   147_B      E   147_B     2.620     0    0.019   0.642     8.048   55.357   38.148
LGA    A   148_B      A   148_B     4.375     0    0.052   0.052     6.261   43.452   38.190
LGA    L   149_B      L   149_B     5.534     0    0.146   0.748     7.447   24.048   18.750
LGA    W   150_B      W   150_B     5.822     0    0.080   1.186    14.346   23.810    8.299
LGA    K   151_B      K   151_B     3.167     4    0.010   0.029     3.970   51.905   29.418
LGA    P   152_B      P   152_B     2.537     0    0.035   0.218     3.471   55.357   53.061
LGA    T   153_B      T   153_B     5.032     0    0.020   0.134     7.022   28.929   21.769
LGA    L   154_B      L   154_B     5.851     0    0.065   1.301    10.258   23.810   14.762
LGA    D   155_B      D   155_B     3.925     0    0.021   0.140     4.766   40.238   41.964
LGA    Q   156_B      Q   156_B     2.715     0    0.095   0.957     6.485   48.690   42.116
LGA    L   157_B      L   157_B     6.170     0    0.058   0.173     9.880   17.976   11.012
LGA    L   158_B      L   158_B     7.787     0    0.134   0.898     9.176    7.262    5.952
LGA    A   159_B      A   159_B     6.312     0    0.283   0.285     7.156   15.357   17.524
LGA    V   160_B      V   160_B     6.197     0    0.556   0.576     8.178   12.262   15.102
LGA    L   161_B      L   161_B     9.399     0    0.596   0.626    15.301    7.381    3.690
LGA    Q   162_B      Q   162_B     5.014     0    0.575   1.037     6.860   27.024   33.492
LGA    E   163_B      E   163_B     3.418     3    0.164   0.214     5.587   55.714   30.635
LGA    K   164_B      K   164_B     1.575     4    0.074   0.074     2.957   72.976   38.783
LGA    H   165_B      H   165_B     3.173     0    0.391   1.074     6.676   53.810   36.190
LGA    K   166_B      K   166_B     2.787     2    0.634   0.513     4.320   52.143   38.466
LGA    G   167_B      G   167_B     6.703     0    0.229   0.229     7.934   14.167   14.167
LGA    K   168_B      K   168_B     7.206     0    0.018   0.414     8.913   13.452    9.312
LGA    P   169_B      P   169_B     7.361     0    0.013   0.304     9.724   12.619    8.367
LGA    A   170_B      A   170_B     5.872     0    0.093   0.119     7.059   16.429   17.429
LGA    T   171_B      T   171_B     6.538     0    0.553   1.136     9.611   17.262   13.810
LGA    T   172_B      T   172_B     5.972     0    0.611   0.714     8.505   17.500   14.218
LGA    V   173_B      V   173_B     5.165     0    0.641   0.859     9.299   39.167   26.939
LGA    T   174_B      T   174_B     1.906     0    0.528   0.812     5.569   68.929   54.898
LGA    Y   175_B      Y   175_B     2.499     0    0.059   1.243     8.640   62.857   40.595
LGA    E   176_B      E   176_B     1.979     0    0.055   0.706     5.055   70.833   54.709
LGA    I   177_B      I   177_B     2.423     0    0.615   1.402     7.385   64.762   43.214
LGA    S   178_B      S   178_B     4.525     0    0.676   0.617     5.582   29.405   29.206
LGA    A   179_B      A   179_B     8.328     0    0.551   0.569    10.302   13.571   10.857
LGA    E   180_B      E   180_B     7.064     0    0.034   1.272     8.659   17.500   11.693
LGA    T   181_B      T   181_B     6.616     0    0.046   1.217    10.635   21.071   13.741
LGA    L   182_B      L   182_B     2.335     0    0.083   1.298     3.876   54.048   60.655
LGA    R   183_B      R   183_B     1.828     0    0.438   0.933     7.847   61.548   37.835
LGA    A   184_B      A   184_B     4.927     0    0.424   0.393     6.483   37.500   33.429
LGA    A   185_B      A   185_B     3.706     0    0.124   0.120     4.196   45.119   46.095
LGA    V   186_B      V   186_B     3.459     0    0.017   1.114     4.559   45.000   45.646
LGA    A   187_B      A   187_B     4.321     0    0.026   0.032     4.919   38.690   37.238
LGA    A   188_B      A   188_B     3.994     0    0.029   0.030     4.219   45.119   43.524
LGA    L   189_B      L   189_B     2.741     0    0.024   0.697     4.714   57.262   55.893
LGA    A   190_B      A   190_B     2.920     0    0.016   0.016     3.330   57.143   55.714
LGA    R   191_B      R   191_B     3.235     0    0.067   1.868     6.788   53.571   42.727
LGA    A   192_B      A   192_B     2.505     0    0.050   0.050     2.694   60.952   60.190
LGA    A   193_B      A   193_B     2.081     0    0.023   0.023     2.086   64.762   64.762
LGA    E   194_B      E   194_B     2.064     0    0.027   0.219     3.728   64.762   59.101
LGA    A   195_B      A   195_B     2.479     0    0.033   0.041     2.895   64.762   63.238
LGA    A   196_B      A   196_B     2.353     0    0.031   0.040     2.353   64.762   64.762
LGA    L   197_B      L   197_B     2.165     0    0.008   0.323     2.205   64.762   68.869
LGA    R   198_B      R   198_B     2.110     0    0.021   0.807     4.640   64.762   56.494
LGA    R   199_B      R   199_B     2.374     0    0.013   1.534     6.155   62.857   55.455
LGA    K   200_B      K   200_B     2.449     0    0.050   0.622     3.123   64.762   63.122
LGA    V   201_B      V   201_B     2.351     0    0.029   1.289     4.785   64.762   60.000
LGA    G   202_B      G   202_B     2.259     0    0.063   0.063     2.541   62.857   62.857
LGA    S   203_B      S   203_B     2.490     1    0.100   0.113     3.090   66.786   52.857
LGA    L   204_B      L   204_B     2.276     3    0.682   0.642     3.679   59.405   36.845
LGA    E   205_B      E   205_B     2.865     4    0.050   0.065     4.373   53.690   27.989
LGA    S   206_B      S   206_B     2.477     1    0.678   0.614     3.505   59.524   49.206
LGA    S   207_B      S   207_B     3.267     0    0.042   0.099     4.871   51.786   45.952
LGA    G   208_B      G   208_B     1.933     0    0.185   0.185     3.616   63.452   63.452
LGA    L   209_B      L   209_B     1.745     3    0.619   0.613     3.416   75.000   43.750
LGA    E   210_B      E   210_B     5.310     4    0.466   0.437     6.496   31.786   16.032

# 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):     9.062          8.910                  9.369           33.148   28.079

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     86    2.61    36.473    30.455     3.173

LGA_LOCAL      RMSD:   2.611  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.579  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:   9.062  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.494982 * X  +   0.505918 * Y  +  -0.706428 * Z  +   5.288718
  Y_new =   0.720948 * X  +   0.214677 * Y  +   0.658900 * Z  +  14.343569
  Z_new =   0.485002 * X  +  -0.835441 * Y  +  -0.258479 * Z  +   1.238375 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.969140 -0.506366 -1.870847   [DEG:   55.5276  -29.0126 -107.1917 ]
ZXZ: -2.321398  1.832244  2.615609   [DEG: -133.0063  104.9798  149.8633 ]
 
# END of job
