
#######################################################
#                                                     #
#                        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  195 ( 1602),  selected  195 , name one
# Molecule2: number of CA atoms  239 ( 1967),  selected  195 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      65_A - 134_A       5.00    11.28
  LONGEST_CONTINUOUS_SEGMENT:    70      66_A - 135_A       4.84    11.47
  LONGEST_CONTINUOUS_SEGMENT:    70      67_A - 136_A       4.77    11.62
  LONGEST_CONTINUOUS_SEGMENT:    70      68_A - 137_A       4.92    11.78
  LCS_AVERAGE:     22.99

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      72_A - 100_A       1.98    12.35
  LCS_AVERAGE:      6.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17     161_A - 177_A       0.97    11.16
  LCS_AVERAGE:      3.09

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  195
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     F     9_A     F     9_A      5    6   35      3    4    5   12   18   30   37   47   66   82   96  112  128  141  148  154  159  164  165  167 
LCS_GDT     V    10_A     V    10_A      5    6   35      3    4    5    6   10   13   18   21   35   49   79  103  113  135  143  151  159  164  165  167 
LCS_GDT     I    11_A     I    11_A      5    6   35      3    4    5    7   17   29   34   42   66   80   96  115  131  142  148  154  159  164  165  167 
LCS_GDT     S    12_A     S    12_A      5    6   35      3    4    5   10   13   16   22   31   39   65   85  104  119  136  145  152  159  164  165  167 
LCS_GDT     I    13_A     I    13_A      5   12   35      3    4    5    6   11   15   22   31   48   59   92  104  119  136  146  153  159  164  165  167 
LCS_GDT     S    14_A     S    14_A      4   12   35      3    3    9   10   12   14   16   22   34   63   82   99  118  136  144  149  156  160  164  166 
LCS_GDT     T    15_A     T    15_A      4   12   35      3    3    4    6   11   12   15   31   53   71   85  108  130  137  145  152  159  162  164  167 
LCS_GDT     A    16_A     A    16_A      9   13   35      9    9   12   27   39   53   67   82   99  110  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E    17_A     E    17_A      9   13   35      9    9   11   18   34   50   63   77   91  105  120  132  139  145  148  154  159  164  165  167 
LCS_GDT     Q    18_A     Q    18_A      9   13   35      9    9   11   20   34   49   62   77   91  104  120  129  139  145  148  154  159  164  165  167 
LCS_GDT     R    19_A     R    19_A      9   13   35      9    9   20   31   42   53   71   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     R    20_A     R    20_A      9   13   35      9    9   27   35   47   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     N    21_A     N    21_A      9   13   35      9    9   14   31   42   58   71   88   99  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     H    22_A     H    22_A      9   13   35      9    9   12   23   30   48   71   82   94  108  120  134  139  145  148  154  159  164  165  167 
LCS_GDT     I    23_A     I    23_A      9   13   35      9    9   14   20   47   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I    24_A     I    24_A      9   13   35      9    9   21   35   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E    25_A     E    25_A      7   13   35      6   10   27   35   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q    26_A     Q    26_A      7   13   35      6   17   27   35   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F    27_A     F    27_A      7   13   35      6    6   23   28   46   61   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     T    28_A     T    28_A      7   13   35      6    6   23   35   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     H    29_A     H    29_A      7   11   35      3    4    7    9   21   37   54   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q    30_A     Q    30_A      4   10   35      3    4    6    9   10   33   54   75   90  109  120  131  139  145  148  154  159  164  165  167 
LCS_GDT     N    31_A     N    31_A      4   10   35      3    4    7    9   28   55   65   76   96  109  120  131  139  145  148  154  159  164  165  167 
LCS_GDT     I    32_A     I    32_A      4   10   35      3    3   10   12   15   28   48   74   87  105  117  127  138  145  148  154  159  164  165  167 
LCS_GDT     P    33_A     P    33_A      5   10   35      3    5   15   29   44   55   73   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F    34_A     F    34_A      5   12   35      4    5   12   19   35   53   63   82  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E    35_A     E    35_A      5   12   35      4    5   12   17   28   41   63   77   94  110  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F    36_A     F    36_A      5   12   35      3    5   12   17   28   50   63   79   95  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F    37_A     F    37_A      5   12   35      4    5   12   27   39   54   70   85  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D    38_A     D    38_A      5   12   35      3    5    8   12   30   53   67   86  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A    39_A     A    39_A      5   12   35      3    5   16   31   44   55   71   87  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F    40_A     F    40_A      6   12   35      3    8   25   34   43   55   69   86  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     T    41_A     T    41_A      6   12   35      3    6   25   34   44   55   73   87  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     P    42_A     P    42_A      6   12   35      4    5    7   25   36   48   57   72   88  105  122  134  139  145  148  154  159  164  165  167 
LCS_GDT     S    43_A     S    43_A      6   12   35      4    5    9   23   39   48   60   77   91  107  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D    44_A     D    44_A      6   12   32      4    5    7    9   13   34   50   65   81   94  107  126  133  141  147  154  159  164  165  167 
LCS_GDT     K    45_A     K    45_A      6   12   31      4    5    7    8   11   12   17   55   78   90   99  116  127  135  142  149  155  164  165  167 
LCS_GDT     L    46_A     L    46_A      9   11   23      6    8    9    9    9   10   12   23   37   48   60   76   91  105  118  129  142  153  159  167 
LCS_GDT     T    47_A     T    47_A      9   11   23      6    8    9   12   16   20   28   36   42   49   63   74   93  105  114  126  137  149  155  162 
LCS_GDT     D    48_A     D    48_A      9   11   23      6    8    9   12   13   14   24   36   42   49   56   69   84   96  106  113  128  136  149  157 
LCS_GDT     H    49_A     H    49_A      9   11   23      6    8    9    9    9   11   14   16   19   22   24   26   30   45   74   94  101  113  122  130 
LCS_GDT     L    50_A     L    50_A      9   11   23      6    8    9    9    9   11   16   17   23   26   28   33   41   49   56   70   87  101  113  121 
LCS_GDT     Q    51_A     Q    51_A      9   11   23      3    8    9    9    9   11   13   18   23   26   28   33   37   54   56   64   69   77   83   88 
LCS_GDT     R    52_A     R    52_A      9   11   23      6    8    9    9    9   11   13   14   18   22   28   33   36   45   52   59   64   66   83   88 
LCS_GDT     Y    53_A     Y    53_A      9   11   23      3    8    9    9    9   11   13   14   18   22   24   26   29   31   32   35   37   41   47   48 
LCS_GDT     L    54_A     L    54_A      9   11   23      5    5    9    9    9   11   13   14   16   18   22   25   27   31   32   34   36   40   56   57 
LCS_GDT     P    55_A     P    55_A      5   11   23      5    5    5    6    9   11   13   14   16   18   22   28   30   34   36   37   40   50   59   64 
LCS_GDT     N    56_A     N    56_A      5    6   23      5    5    5    5    6    9   11   14   16   18   22   24   27   27   32   34   36   39   48   49 
LCS_GDT     V    57_A     V    57_A      5    6   23      5    5    5    5    5    7   10   11   15   17   19   24   25   26   32   34   36   46   48   49 
LCS_GDT     A    58_A     A    58_A      5    6   23      5    5    5    5    5    7    8   16   18   20   22   28   30   34   36   37   40   46   48   49 
LCS_GDT     N    59_A     N    59_A      3    5   23      3    3    4    5    7    8   10   14   16   18   20   24   27   34   36   37   40   46   48   49 
LCS_GDT     A    60_A     A    60_A      3    5   23      3    3    4    5    6    8   14   16   18   18   22   28   30   34   36   37   40   46   48   49 
LCS_GDT     A    61_A     A    61_A      3    5   23      3    3    4    5    5    6   10   13   16   18   22   24   27   27   34   37   40   46   58   63 
LCS_GDT     Q    62_A     Q    62_A      5    5   23      3    4    5    6    6    7    8   10   11   14   17   19   23   30   34   37   40   46   58   63 
LCS_GDT     L    63_A     L    63_A      5    5   22      3    4    5    6    6    7    9   11   14   18   26   26   36   40   50   55   59   66   71   88 
LCS_GDT     T    64_A     T    64_A      5    5   22      3    4    5    6    8   12   18   21   31   35   40   46   50   65   68   78   91  105  112  125 
LCS_GDT     M    65_A     M    65_A      5    5   70      3    4    5    7   15   20   28   42   53   56   64   71   85  101  113  133  149  158  163  167 
LCS_GDT     G    66_A     G    66_A      5    5   70      3    4    6   11   15   26   35   45   67   78   93   99  113  125  138  149  156  164  165  167 
LCS_GDT     E    67_A     E    67_A      3    4   70      3    3    3    7    9   11   22   29   54   61   93   99  115  125  132  145  156  164  165  167 
LCS_GDT     K    68_A     K    68_A      3    4   70      3    4   16   26   39   54   70   83   97  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     G    69_A     G    69_A      9   26   70      7    8   13   30   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     C    70_A     C    70_A      9   26   70      7    8   13   20   39   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L    71_A     L    71_A      9   26   70      7    8   11   20   39   57   70   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     M    72_A     M    72_A      9   29   70      7   10   19   32   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     S    73_A     S    73_A      9   29   70      7    8   18   38   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     H    74_A     H    74_A      9   29   70      7    8   15   28   46   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F    75_A     F    75_A     10   29   70      4    8   12   32   46   61   76   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     M    76_A     M    76_A     10   29   70      4    8   23   34   48   61   76   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L    77_A     L    77_A     10   29   70      5   11   25   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     W    78_A     W    78_A     10   29   70      5   11   24   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     K    79_A     K    79_A     10   29   70      5   11   23   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     K    80_A     K    80_A     10   29   70      5   11   22   33   48   61   76   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     C    81_A     C    81_A     10   29   70      5   11   22   33   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I    82_A     I    82_A     10   29   70      5   11   23   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D    83_A     D    83_A     10   29   70      5   11   25   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E    84_A     E    84_A     10   29   70      5   11   25   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     N    85_A     N    85_A     10   29   70      3   11   25   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L    86_A     L    86_A      7   29   70      3   14   26   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D    87_A     D    87_A      7   29   70      3   12   26   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Y    88_A     Y    88_A      7   29   70     13   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I    89_A     I    89_A      7   29   70      5   16   26   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     T    90_A     T    90_A      9   29   70      5   17   26   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L    91_A     L    91_A      9   29   70      7   19   26   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F    92_A     F    92_A      9   29   70     15   22   27   36   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E    93_A     E    93_A      9   29   70      7   21   27   36   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D    94_A     D    94_A      9   29   70      7   20   27   34   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D    95_A     D    95_A      9   29   70      7   11   23   34   46   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I    96_A     I    96_A      9   29   70      4    6   17   29   45   61   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L    97_A     L    97_A      9   29   70      3   10   19   29   43   61   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L    98_A     L    98_A      9   29   70      7   11   19   29   46   61   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     G    99_A     G    99_A      6   29   70      4    8   19   28   46   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   100_A     E   100_A      6   29   70      4   10   19   26   45   61   70   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     N   101_A     N   101_A      6   15   70      5    6   13   24   43   61   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A   102_A     A   102_A      5    6   70      5    5    5    6    6    9    9   11   19   33   63   91  113  135  147  154  159  164  165  167 
LCS_GDT     N   103_A     N   103_A      5    6   70      5    5    5    6    9   10   11   11   13   15   42   90  118  134  145  154  159  164  165  167 
LCS_GDT     K   104_A     K   104_A      5    6   70      5    5    8    8   14   29   54   69   92  108  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F   105_A     F   105_A      5    6   70      5    5    5    6    6    9   13   19   24   40   58   78  102  130  143  153  158  162  165  167 
LCS_GDT     L   106_A     L   106_A      4    5   70      3    4    4    6    9   14   26   55   73   98  113  131  139  145  148  154  159  164  165  167 
LCS_GDT     A   107_A     A   107_A      4    5   70      8   21   26   36   44   61   75   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   108_A     E   108_A      4   10   70      3    7   17   29   39   48   60   75   90  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     G   109_A     G   109_A      7   10   70      5    6    8   22   36   44   57   75   86  104  122  134  139  145  148  154  159  164  165  167 
LCS_GDT     D   110_A     D   110_A      7   16   70      5    6    8   21   30   48   65   78   90  106  122  134  139  145  148  154  159  164  165  167 
LCS_GDT     W   111_A     W   111_A      7   16   70      5   14   25   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   112_A     L   112_A      7   16   70      5    6    8   14   40   49   67   86   98  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     K   113_A     K   113_A      7   16   70      7    7    9   11   15   44   57   75   94  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     V   114_A     V   114_A      7   16   70      4    6   13   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     R   115_A     R   115_A     11   16   70      6   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F   116_A     F   116_A     11   16   70      6   22   27   36   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     N   117_A     N   117_A     11   16   70      5   17   27   36   44   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F   118_A     F   118_A     11   16   70      5   12   23   36   43   60   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q   119_A     Q   119_A     11   16   70      5   12   23   34   42   54   73   87  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   120_A     E   120_A     11   16   70      6   22   27   38   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I   121_A     I   121_A     11   16   70      5   19   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F   122_A     F   122_A     11   16   70      5   19   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     V   123_A     V   123_A     11   16   70      6   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   124_A     L   124_A     11   16   70     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     R   125_A     R   125_A     11   16   70      8   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   126_A     L   126_A      5   16   70      4    5   14   27   40   56   65   75   90  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   127_A     E   127_A      5   16   70      4    5    6   22   35   44   54   70   78   89  111  126  135  141  148  153  159  164  165  167 
LCS_GDT     T   128_A     T   128_A      5   16   70      4    5   16   24   41   48   65   75   97  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F   129_A     F   129_A      5    6   70      4    5    6    6   10   30   64   86   99  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   130_A     L   130_A      5    6   70      3    5    6    7   19   44   66   82   99  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     M   131_A     M   131_A      4    6   70      3    3    4   23   39   59   74   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     P   132_A     P   132_A      4    4   70      3    3    4    7   11   26   43   61   93  104  120  130  139  145  148  154  159  164  165  167 
LCS_GDT     V   133_A     V   133_A      4    4   70      3    6   14   30   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q   134_A     Q   134_A      4    4   70      1    3    7   10   17   22   41   54   75   98  107  123  132  141  148  153  159  162  164  167 
LCS_GDT     L   135_A     L   135_A      3    4   70      1    3    7   10   12   16   30   50   64   76   92  107  116  130  140  150  156  162  164  166 
LCS_GDT     E   136_A     E   136_A      4    6   70      3    4    4   10   12   15   19   26   36   63   80   97  110  124  135  147  156  160  164  166 
LCS_GDT     K   137_A     K   137_A      4    6   70      3    4    4    6    7   10   13   14   16   18   22   28   36   39   52   63   77   92  111  122 
LCS_GDT     Q   138_A     Q   138_A      4    6    9      3    4    4    6    7   10   13   14   16   17   20   23   25   26   27   32   38   48   55   75 
LCS_GDT     T   139_A     T   139_A      4    6    9      3    4    4    4    5    7   13   14   16   18   22   24   25   26   27   29   30   34   35   35 
LCS_GDT     Q   140_A     Q   140_A      3    6    9      3    3    3    4    5   10   13   14   16   18   22   24   25   26   27   29   30   34   35   35 
LCS_GDT     I   141_A     I   141_A      3    6    9      0    3    3    4    5    6    6    6    7    7   22   24   25   26   27   29   30   34   35   35 
LCS_GDT     F   157_A     F   157_A      5    6   62      4    4   10   26   45   61   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     G   158_A     G   158_A      5    9   62      4    5   16   31   44   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     T   159_A     T   159_A      5   20   62      4    4    5    8   17   46   64   80   98  110  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A   160_A     A   160_A      5   20   62      4    5   11   18   26   41   63   79   97  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     G   161_A     G   161_A     17   20   62      5   20   27   36   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Y   162_A     Y   162_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     V   163_A     V   163_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I   164_A     I   164_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     S   165_A     S   165_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q   166_A     Q   166_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     G   167_A     G   167_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A   168_A     A   168_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A   169_A     A   169_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     K   170_A     K   170_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Y   171_A     Y   171_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   172_A     L   172_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I   173_A     I   173_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A   174_A     A   174_A     17   20   62     15   22   27   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   175_A     L   175_A     17   20   62      5   21   26   38   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F   176_A     F   176_A     17   20   62      4   21   25   36   44   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   177_A     E   177_A     17   20   62      4    8   20   34   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     K   178_A     K   178_A      5   20   62      4    6   17   30   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   179_A     L   179_A      5   20   62      4    5    5    9   20   42   59   79   98  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     T   180_A     T   180_A      3   11   62      3    3    4    4    6    7   11   15   23   39   86  112  128  139  147  154  159  164  165  167 
LCS_GDT     T   181_A     T   181_A      3   11   62      3    3    6    9   19   31   51   66   80  104  122  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   182_A     E   182_A      3    8   62      3    3    3    6   20   26   35   46   64   77   96  112  122  133  146  154  156  164  165  167 
LCS_GDT     E   183_A     E   183_A      6   10   62      4    5    6    9   14   18   23   35   54   69   92  109  121  139  146  152  156  164  165  167 
LCS_GDT     I   184_A     I   184_A      6   10   62      4    5    6    9   12   18   29   39   55   72   89  109  127  143  146  154  156  164  165  167 
LCS_GDT     K   185_A     K   185_A      6   14   62      4    5   11   18   36   54   70   86   98  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     P   186_A     P   186_A      6   14   62      4    5    9   19   43   57   70   87  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I   187_A     I   187_A      6   14   62      4    7   14   30   43   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D   188_A     D   188_A      6   14   62      4   11   23   33   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   189_A     E   189_A      8   14   62      4    7   17   32   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I   190_A     I   190_A      8   14   62      4    6    9   20   37   56   74   87  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     M   191_A     M   191_A      8   14   62      4    7    8   17   28   43   63   82   98  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     F   192_A     F   192_A      8   14   62      3    7    8   16   27   38   57   70   90  108  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     N   193_A     N   193_A      8   14   62      4    7    8   11   24   44   58   77   92  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q   194_A     Q   194_A      8   14   62      4    7   15   34   43   58   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q   195_A     Q   195_A      8   14   62      4    7   11   19   36   48   60   77   92  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I   196_A     I   196_A      8   14   62      4    7    8   10   19   31   45   62   78   94  114  128  137  145  148  154  159  164  165  167 
LCS_GDT     N   197_A     N   197_A      4   14   62      3    3    8   11   21   39   55   70   90  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A   198_A     A   198_A      4   14   62      3    3    4   17   23   35   50   65   82   95  117  129  138  145  148  154  159  164  165  167 
LCS_GDT     T   199_A     T   199_A      3   14   62      3    5   11   18   29   44   57   77   90  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     D   200_A     D   200_A      3    9   62      3    3    4   10   23   35   54   74   90  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Y   201_A     Y   201_A      4    9   62      4    5   17   30   46   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     R   202_A     R   202_A      4    9   62      4    8   25   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     V   203_A     V   203_A      5    9   62      4    5    9   31   44   61   69   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Y   204_A     Y   204_A      5    9   62      4    8   16   30   44   56   74   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q   205_A     Q   205_A      5    9   62      4    5   12   33   41   61   71   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     L   206_A     L   206_A      5    9   62      4    5   17   31   44   56   66   82   99  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     N   207_A     N   207_A      5    9   62      3    5    8   12   39   57   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     P   208_A     P   208_A      4    9   62      2    5   22   40   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     A   209_A     A   209_A      3    6   62      5   12   23   34   48   62   77   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     I   210_A     I   210_A      3    7   62      3    9   26   40   48   61   74   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     C   211_A     C   211_A      4    7   62      3   10   25   40   48   61   69   87   99  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     V   212_A     V   212_A      4    7   62      4   22   26   40   48   61   76   88  101  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     Q   213_A     Q   213_A      4    7   62      4    4    8   27   43   59   71   88   99  112  123  134  139  145  148  154  159  164  165  167 
LCS_GDT     E   214_A     E   214_A      4    7   62      4   15   26   40   48   61   69   77   97  112  122  131  138  145  148  153  159  164  165  167 
LCS_GDT     L   215_A     L   215_A      4    7   62      4    4   22   33   44   61   71   87   97  112  122  132  139  145  148  153  159  164  165  167 
LCS_GDT     Q   216_A     Q   216_A      3    7   62      0    3    4    6    8   11   12   55   87  103  116  133  139  145  148  154  159  164  165  167 
LCS_GDT     L   217_A     L   217_A      3    4   62      0    3    4    6    7    8   10   14   33   44   55  100  133  144  146  154  157  164  165  167 
LCS_GDT     N   218_A     N   218_A      3    4   62      0    3    4    7   12   24   62   77   90  102  115  129  139  145  148  154  159  164  165  167 
LCS_AVERAGE  LCS_A:  10.69  (   3.09    6.01   22.99 )

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     22     27     40     48     62     77     88    101    112    123    134    139    145    148    154    159    164    165    167 
GDT PERCENT_AT   6.28   9.21  11.30  16.74  20.08  25.94  32.22  36.82  42.26  46.86  51.46  56.07  58.16  60.67  61.92  64.44  66.53  68.62  69.04  69.87
GDT RMS_LOCAL    0.38   0.64   0.95   1.40   1.64   2.15   2.43   2.69   2.99   3.24   3.54   3.79   3.93   4.08   4.17   4.52   4.66   4.93   4.97   5.05
GDT RMS_ALL_AT  11.51  11.80  11.64  13.03  12.85  11.81  11.69  11.67  11.53  11.47  11.31  11.27  11.27  11.36  11.33  11.17  11.21  11.08  11.07  11.08

# Checking swapping
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  F    27_A      F    27_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  F    75_A      F    75_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  Y    88_A      Y    88_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  F   116_A      F   116_A
#   possible swapping detected:  F   118_A      F   118_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  F   157_A      F   157_A
#   possible swapping detected:  Y   162_A      Y   162_A
#   possible swapping detected:  E   177_A      E   177_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  F   192_A      F   192_A
#   possible swapping detected:  D   200_A      D   200_A
#   possible swapping detected:  Y   201_A      Y   201_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F     9_A      F     9_A     9.181     0    0.055   0.528    13.242    1.190    0.606
LGA    V    10_A      V    10_A    10.203     0    0.059   1.130    13.992    0.238    0.136
LGA    I    11_A      I    11_A     8.774     0    0.051   0.487    11.012    1.905    1.488
LGA    S    12_A      S    12_A     9.642     0    0.047   0.653    13.450    1.190    0.794
LGA    I    13_A      I    13_A     9.049     0    0.073   0.487    11.460    1.548    0.893
LGA    S    14_A      S    14_A     8.852     0    0.586   0.632    11.840    2.262    1.508
LGA    T    15_A      T    15_A     8.270     0    0.713   1.415    10.361    4.286    3.673
LGA    A    16_A      A    16_A     6.143     0    0.477   0.531     6.433   20.476   21.619
LGA    E    17_A      E    17_A     7.573     0    0.164   1.093    13.326   11.071    5.132
LGA    Q    18_A      Q    18_A     7.856     0    0.073   0.169    11.915   11.190    5.291
LGA    R    19_A      R    19_A     5.039     0    0.116   1.104     6.080   30.952   37.576
LGA    R    20_A      R    20_A     3.267     0    0.077   0.813     5.671   45.119   36.320
LGA    N    21_A      N    21_A     5.066     0    0.090   0.262     7.861   27.500   20.595
LGA    H    22_A      H    22_A     5.979     0    0.123   1.439    12.616   22.619   11.048
LGA    I    23_A      I    23_A     3.587     0    0.397   0.946     4.121   45.119   49.464
LGA    I    24_A      I    24_A     2.452     0    0.065   0.136     2.911   62.857   63.869
LGA    E    25_A      E    25_A     1.881     0    0.025   0.581     4.336   68.810   57.090
LGA    Q    26_A      Q    26_A     2.384     0    0.090   0.927     4.924   59.167   55.238
LGA    F    27_A      F    27_A     3.629     0    0.076   1.099     6.362   45.119   37.100
LGA    T    28_A      T    28_A     2.616     0    0.141   0.199     3.240   55.357   61.701
LGA    H    29_A      H    29_A     4.919     0    0.072   0.998    12.877   29.048   14.190
LGA    Q    30_A      Q    30_A     6.021     0    0.069   0.883     7.048   20.476   17.989
LGA    N    31_A      N    31_A     5.597     0    0.523   0.584     6.624   19.405   21.012
LGA    I    32_A      I    32_A     6.780     0    0.459   1.021    13.674   14.762    7.619
LGA    P    33_A      P    33_A     4.300     0    0.658   0.761     5.457   36.190   48.639
LGA    F    34_A      F    34_A     5.599     0    0.077   1.383    13.125   26.429   12.035
LGA    E    35_A      E    35_A     6.561     0    0.053   0.721     8.569   17.262   11.852
LGA    F    36_A      F    36_A     6.236     0    0.205   0.350     9.615   23.452   11.645
LGA    F    37_A      F    37_A     5.318     0    0.077   1.201    10.281   23.810   13.983
LGA    D    38_A      D    38_A     5.048     0    0.066   1.172     5.654   30.119   30.357
LGA    A    39_A      A    39_A     5.022     0    0.086   0.096     6.340   32.976   29.810
LGA    F    40_A      F    40_A     5.442     0    0.120   1.179    10.870   22.262    9.784
LGA    T    41_A      T    41_A     5.592     0    0.039   0.149     7.640   16.190   28.027
LGA    P    42_A      P    42_A     9.490     0    0.140   0.289    10.403    4.048    3.061
LGA    S    43_A      S    43_A     8.947     0    0.038   0.057    11.265    1.071    2.381
LGA    D    44_A      D    44_A    11.686     0    0.414   0.736    14.971    0.000    0.060
LGA    K    45_A      K    45_A    12.402     0    0.644   1.063    13.873    0.000    0.000
LGA    L    46_A      L    46_A    17.668     0    0.558   1.295    23.452    0.000    0.000
LGA    T    47_A      T    47_A    19.726     0    0.025   0.810    22.354    0.000    0.000
LGA    D    48_A      D    48_A    21.462     0    0.209   0.260    24.720    0.000    0.000
LGA    H    49_A      H    49_A    23.218     0    0.066   1.171    25.986    0.000    0.000
LGA    L    50_A      L    50_A    24.683     0    0.186   0.277    27.122    0.000    0.000
LGA    Q    51_A      Q    51_A    27.722     0    0.117   0.977    30.491    0.000    0.000
LGA    R    52_A      R    52_A    29.290     0    0.148   1.195    32.346    0.000    0.000
LGA    Y    53_A      Y    53_A    30.323     0    0.025   1.253    33.124    0.000    0.000
LGA    L    54_A      L    54_A    30.926     0    0.551   0.447    32.743    0.000    0.000
LGA    P    55_A      P    55_A    34.901     0    0.101   0.304    37.805    0.000    0.000
LGA    N    56_A      N    56_A    40.501     0    0.128   0.901    42.273    0.000    0.000
LGA    V    57_A      V    57_A    37.586     0    0.222   0.253    38.309    0.000    0.000
LGA    A    58_A      A    58_A    37.176     0    0.253   0.273    38.119    0.000    0.000
LGA    N    59_A      N    59_A    37.124     0    0.585   0.516    38.841    0.000    0.000
LGA    A    60_A      A    60_A    35.807     0    0.045   0.055    36.125    0.000    0.000
LGA    A    61_A      A    61_A    33.051     0    0.700   0.648    34.356    0.000    0.000
LGA    Q    62_A      Q    62_A    31.693     0    0.603   1.138    33.577    0.000    0.000
LGA    L    63_A      L    63_A    25.678     0    0.100   0.161    28.058    0.000    0.000
LGA    T    64_A      T    64_A    22.383     0    0.109   1.092    23.377    0.000    0.000
LGA    M    65_A      M    65_A    16.743     0    0.620   1.262    19.280    0.000    0.000
LGA    G    66_A      G    66_A    13.495     0    0.640   0.640    14.461    0.000    0.000
LGA    E    67_A      E    67_A    13.140     0    0.112   0.929    20.874    0.000    0.000
LGA    K    68_A      K    68_A     6.463     0    0.565   0.765    11.067   17.857   10.952
LGA    G    69_A      G    69_A     2.178     0    0.602   0.602     3.239   63.095   63.095
LGA    C    70_A      C    70_A     3.335     0    0.021   0.856     7.617   51.786   41.905
LGA    L    71_A      L    71_A     3.974     0    0.054   0.917     9.164   45.000   28.750
LGA    M    72_A      M    72_A     2.945     0    0.143   1.153     6.135   57.143   45.774
LGA    S    73_A      S    73_A     2.064     0    0.172   0.698     2.397   66.786   70.397
LGA    H    74_A      H    74_A     2.776     0    0.027   1.154     6.012   59.048   46.857
LGA    F    75_A      F    75_A     3.334     0    0.184   1.151     7.930   50.000   32.338
LGA    M    76_A      M    76_A     3.552     0    0.142   1.340     4.376   48.333   49.583
LGA    L    77_A      L    77_A     2.406     0    0.038   0.239     2.700   62.857   64.881
LGA    W    78_A      W    78_A     2.138     0    0.037   0.195     2.284   64.762   67.653
LGA    K    79_A      K    79_A     2.277     0    0.044   0.305     2.787   60.952   62.222
LGA    K    80_A      K    80_A     3.423     0    0.061   0.761     7.412   48.333   36.138
LGA    C    81_A      C    81_A     3.072     0    0.056   0.744     5.267   51.786   48.413
LGA    I    82_A      I    82_A     2.221     0    0.083   0.217     2.497   64.762   70.952
LGA    D    83_A      D    83_A     2.367     0    0.107   0.120     3.013   59.167   61.071
LGA    E    84_A      E    84_A     2.613     0    0.645   0.945     3.933   55.595   54.127
LGA    N    85_A      N    85_A     2.667     0    0.255   0.967     4.801   54.048   49.702
LGA    L    86_A      L    86_A     1.614     0    0.103   0.269     1.854   72.857   72.857
LGA    D    87_A      D    87_A     2.153     0    0.524   1.282     5.500   59.405   50.536
LGA    Y    88_A      Y    88_A     1.764     0    0.097   1.271     7.991   77.143   52.738
LGA    I    89_A      I    89_A     1.696     0    0.047   1.078     5.387   75.000   63.869
LGA    T    90_A      T    90_A     1.849     0    0.090   0.964     2.612   66.905   66.054
LGA    L    91_A      L    91_A     2.153     0    0.047   1.289     6.591   70.952   57.798
LGA    F    92_A      F    92_A     0.980     0    0.048   0.102     2.840   88.214   74.848
LGA    E    93_A      E    93_A     0.907     0    0.030   0.995     2.708   83.810   75.079
LGA    D    94_A      D    94_A     1.869     0    0.143   0.325     3.283   67.262   70.119
LGA    D    95_A      D    95_A     2.986     0    0.056   0.073     3.627   53.810   54.643
LGA    I    96_A      I    96_A     3.017     0    0.226   1.119     5.054   44.167   46.369
LGA    L    97_A      L    97_A     3.653     0    0.116   1.367     7.979   50.119   37.976
LGA    L    98_A      L    98_A     3.369     0    0.149   1.401     5.582   40.714   35.655
LGA    G    99_A      G    99_A     3.642     0    0.547   0.547     4.269   45.238   45.238
LGA    E   100_A      E   100_A     4.621     0    0.575   1.081    12.040   47.857   23.280
LGA    N   101_A      N   101_A     3.404     0    0.248   0.949     6.064   32.976   46.964
LGA    A   102_A      A   102_A     9.513     0    0.096   0.109    11.130    2.738    2.190
LGA    N   103_A      N   103_A    10.070     0    0.243   0.533    11.456    0.714    0.357
LGA    K   104_A      K   104_A     6.001     0    0.145   0.529     6.984   15.238   25.291
LGA    F   105_A      F   105_A     9.641     0    0.303   1.334    14.170    1.667    0.606
LGA    L   106_A      L   106_A     7.101     0    0.628   1.383    10.681   15.833    9.226
LGA    A   107_A      A   107_A     3.457     0    0.524   0.517     6.331   35.833   38.667
LGA    E   108_A      E   108_A     6.937     0    0.632   1.205    10.575   17.500   10.000
LGA    G   109_A      G   109_A     7.163     0    0.375   0.375     7.315   12.619   12.619
LGA    D   110_A      D   110_A     5.653     0    0.084   1.068     6.564   29.286   25.774
LGA    W   111_A      W   111_A     2.766     0    0.076   1.313     9.881   51.905   28.639
LGA    L   112_A      L   112_A     5.453     0    0.126   1.301    10.154   27.738   16.071
LGA    K   113_A      K   113_A     6.185     0    0.195   0.906    15.901   22.738   11.270
LGA    V   114_A      V   114_A     3.301     0    0.022   1.225     4.047   52.262   55.578
LGA    R   115_A      R   115_A     2.358     0    0.083   1.184     5.925   62.857   53.203
LGA    F   116_A      F   116_A     2.666     0    0.044   0.196     2.758   57.143   59.913
LGA    N   117_A      N   117_A     3.374     0    0.024   0.558     5.027   51.786   44.643
LGA    F   118_A      F   118_A     3.467     0    0.050   0.095     3.884   45.000   47.056
LGA    Q   119_A      Q   119_A     4.201     0    0.054   1.227     5.740   41.786   41.481
LGA    E   120_A      E   120_A     2.497     0    0.039   0.314     2.969   59.048   61.376
LGA    I   121_A      I   121_A     2.472     0    0.362   0.471     4.073   55.952   60.536
LGA    F   122_A      F   122_A     1.819     0    0.059   1.348     5.027   77.143   61.429
LGA    V   123_A      V   123_A     1.500     0    0.262   0.283     2.859   79.286   70.884
LGA    L   124_A      L   124_A     1.049     0    0.098   1.131     3.833   79.286   73.571
LGA    R   125_A      R   125_A     1.106     0    0.237   1.040     6.590   69.286   54.719
LGA    L   126_A      L   126_A     5.709     0    0.665   1.395    10.659   21.429   13.393
LGA    E   127_A      E   127_A     7.297     0    0.047   0.801    12.075   19.048    8.836
LGA    T   128_A      T   128_A     5.827     0    0.074   0.148     9.055   21.905   15.170
LGA    F   129_A      F   129_A     5.088     0    0.651   0.979    10.420   30.119   14.502
LGA    L   130_A      L   130_A     4.840     0    0.075   1.400     9.417   34.286   22.381
LGA    M   131_A      M   131_A     3.530     0    0.630   0.896     6.008   37.262   37.083
LGA    P   132_A      P   132_A     5.782     0    0.187   0.440     8.553   33.571   22.177
LGA    V   133_A      V   133_A     2.771     0    0.654   0.632     7.453   52.262   35.782
LGA    Q   134_A      Q   134_A     7.713     0    0.618   1.499     9.542    9.405    5.344
LGA    L   135_A      L   135_A    10.291     0    0.672   1.190    12.152    0.357    0.238
LGA    E   136_A      E   136_A    11.480     0    0.626   0.889    13.701    0.000    5.397
LGA    K   137_A      K   137_A    17.758     0    0.710   0.535    20.027    0.000    0.000
LGA    Q   138_A      Q   138_A    22.603     0    0.123   1.134    25.106    0.000    0.000
LGA    T   139_A      T   139_A    29.314     0    0.539   0.466    32.852    0.000    0.000
LGA    Q   140_A      Q   140_A    30.726     0    0.549   1.519    32.747    0.000    0.000
LGA    I   141_A      I   141_A    32.685     0    0.041   0.092    34.960    0.000    0.000
LGA    F   157_A      F   157_A     3.294     0    0.227   1.296     5.218   45.476   40.996
LGA    G   158_A      G   158_A     3.338     0    0.216   0.216     3.990   52.024   52.024
LGA    T   159_A      T   159_A     5.559     0    0.132   0.208     7.806   26.071   19.252
LGA    A   160_A      A   160_A     5.073     0    0.120   0.117     5.913   34.524   31.905
LGA    G   161_A      G   161_A     1.213     0    0.080   0.080     2.357   79.524   79.524
LGA    Y   162_A      Y   162_A     1.137     0    0.051   1.261     6.947   85.952   60.833
LGA    V   163_A      V   163_A     1.305     0    0.059   1.168     4.024   81.429   73.878
LGA    I   164_A      I   164_A     1.158     0    0.027   0.054     1.533   81.429   80.357
LGA    S   165_A      S   165_A     1.228     0    0.039   0.130     1.972   81.429   78.571
LGA    Q   166_A      Q   166_A     1.700     0    0.062   1.126     3.705   72.857   67.778
LGA    G   167_A      G   167_A     1.591     0    0.121   0.121     1.786   72.857   72.857
LGA    A   168_A      A   168_A     1.398     0    0.047   0.047     1.492   81.429   81.429
LGA    A   169_A      A   169_A     1.356     0    0.116   0.120     1.838   77.143   78.000
LGA    K   170_A      K   170_A     2.017     0    0.122   0.188     2.968   64.881   62.275
LGA    Y   171_A      Y   171_A     1.643     0    0.130   1.502     9.420   72.857   43.651
LGA    L   172_A      L   172_A     1.943     0    0.105   0.184     2.269   68.810   70.833
LGA    I   173_A      I   173_A     2.540     0    0.123   1.265     4.078   57.262   54.762
LGA    A   174_A      A   174_A     2.783     0    0.176   0.187     3.418   55.357   55.714
LGA    L   175_A      L   175_A     2.641     0    0.335   0.957     5.817   59.048   47.262
LGA    F   176_A      F   176_A     3.528     0    0.083   1.018     7.783   51.905   31.082
LGA    E   177_A      E   177_A     1.232     0    0.092   0.257     4.203   71.071   63.968
LGA    K   178_A      K   178_A     2.156     0    0.237   0.272     3.506   59.881   62.011
LGA    L   179_A      L   179_A     5.119     0    0.649   0.661     6.378   25.952   27.500
LGA    T   180_A      T   180_A     9.091     0    0.224   0.208    12.355    4.048    2.313
LGA    T   181_A      T   181_A     6.875     0    0.696   1.267    10.556    6.548    7.279
LGA    E   182_A      E   182_A    12.111     0    0.399   0.985    13.907    0.119    0.053
LGA    E   183_A      E   183_A    12.181     0    0.638   0.738    14.345    0.000    0.000
LGA    I   184_A      I   184_A    10.162     0    0.385   1.467    13.693    1.071    0.536
LGA    K   185_A      K   185_A     5.383     0    0.082   0.822     7.042   20.952   20.635
LGA    P   186_A      P   186_A     4.310     0    0.138   0.181     4.401   41.905   40.748
LGA    I   187_A      I   187_A     2.932     0    0.036   1.163     3.909   57.500   54.702
LGA    D   188_A      D   188_A     1.998     0    0.042   0.438     3.117   72.976   64.167
LGA    E   189_A      E   189_A     2.549     0    0.243   0.992     3.273   59.048   63.386
LGA    I   190_A      I   190_A     4.318     0    0.242   1.366     7.053   35.000   31.310
LGA    M   191_A      M   191_A     5.136     0    0.032   1.108    10.554   27.738   19.286
LGA    F   192_A      F   192_A     6.422     0    0.026   0.252     8.351   17.619   12.684
LGA    N   193_A      N   193_A     5.423     0    0.203   1.275     9.174   27.500   18.452
LGA    Q   194_A      Q   194_A     3.582     0    0.116   0.380     4.806   37.262   50.847
LGA    Q   195_A      Q   195_A     5.982     0    0.554   0.978     9.832   20.833   13.386
LGA    I   196_A      I   196_A     7.528     0    0.256   1.089     9.541    7.976    5.714
LGA    N   197_A      N   197_A     6.317     0    0.105   1.092     6.963   15.238   31.786
LGA    A   198_A      A   198_A     8.094     0    0.119   0.121     9.293    6.667    5.619
LGA    T   199_A      T   199_A     6.442     0    0.710   0.932     7.285   14.405   14.014
LGA    D   200_A      D   200_A     5.898     0    0.032   1.032     7.455   32.381   23.036
LGA    Y   201_A      Y   201_A     2.746     0    0.351   1.308    13.292   57.500   24.603
LGA    R   202_A      R   202_A     2.220     0    0.163   1.197     4.608   61.071   53.030
LGA    V   203_A      V   203_A     3.963     0    0.128   1.111     8.067   50.119   34.966
LGA    Y   204_A      Y   204_A     3.946     0    0.174   1.218    12.786   38.810   15.794
LGA    Q   205_A      Q   205_A     4.164     0    0.041   0.212    10.075   40.238   21.852
LGA    L   206_A      L   206_A     4.967     0    0.038   1.337    11.322   37.262   19.940
LGA    N   207_A      N   207_A     3.372     0    0.052   0.996     8.360   36.905   28.393
LGA    P   208_A      P   208_A     3.235     0    0.679   0.556     4.889   50.357   43.061
LGA    A   209_A      A   209_A     1.666     0    0.703   0.664     4.106   79.286   70.857
LGA    I   210_A      I   210_A     3.811     0    0.592   1.007     7.325   37.381   33.810
LGA    C   211_A      C   211_A     4.571     0    0.263   0.721     7.549   47.381   35.635
LGA    V   212_A      V   212_A     3.254     0    0.677   1.329     7.728   45.119   34.286
LGA    Q   213_A      Q   213_A     4.003     0    0.216   0.904    10.676   54.643   29.841
LGA    E   214_A      E   214_A     5.667     0    0.523   0.447    11.119   27.619   12.593
LGA    L   215_A      L   215_A     4.644     0    0.591   1.143    10.469   46.429   26.607
LGA    Q   216_A      Q   216_A     6.448     0    0.585   1.349     8.241   15.833   10.741
LGA    L   217_A      L   217_A     9.142     0    0.380   1.436    12.574    3.929    2.024
LGA    N   218_A      N   218_A     7.053     0    0.606   1.431     8.785   10.833    7.619

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      195     780    780  100.00    1602   1602  100.00               239
SUMMARY(RMSD_GDC):    10.381         10.413                 10.603           28.135   24.602

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  195  239    4.0     88    2.69    31.799    26.679     3.153

LGA_LOCAL      RMSD:   2.691  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.665  Number of assigned atoms:  195 
Std_ASGN_ATOMS RMSD:  10.381  Standard rmsd on all 195 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.558846 * X  +  -0.195317 * Y  +   0.805942 * Z  + -25.468275
  Y_new =  -0.606541 * X  +   0.759021 * Y  +  -0.236634 * Z  + -86.040688
  Z_new =  -0.565508 * X  +  -0.621079 * Y  +  -0.542643 * Z  + -53.511333 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.315291  0.601049 -2.288896   [DEG: -132.6564   34.4376 -131.1441 ]
ZXZ:  1.285210  2.144377 -2.402992   [DEG:   73.6371  122.8638 -137.6813 ]
 
# END of job
