
#######################################################
#                                                     #
#                        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  251 ( 2082),  selected  239 , name one
# Molecule2: number of CA atoms  239 ( 1967),  selected  239 , 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:    69      60_A - 128_A       4.90    17.07
  LONGEST_CONTINUOUS_SEGMENT:    69      61_A - 129_A       4.79    17.06
  LONGEST_CONTINUOUS_SEGMENT:    69      62_A - 130_A       4.91    16.98
  LCS_AVERAGE:     20.03

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36     158_A - 193_A       1.99    16.95
  LCS_AVERAGE:      6.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      66_A - 93_A        0.96    16.51
  LCS_AVERAGE:      4.09

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  239
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     N     2_A     N     2_A      3    4   15      3    3    4    5    5    9   22   42   59   77   85  101  107  114  117  125  132  144  152  158 
LCS_GDT     S     3_A     S     3_A      3    5   27      3    3    4   10   11   15   24   36   60   91   99  107  118  130  134  141  148  150  156  161 
LCS_GDT     T     4_A     T     4_A      3    5   35      3    4    7   13   17   25   39   56   71   88  116  122  129  136  141  148  153  156  160  163 
LCS_GDT     E     5_A     E     5_A      3    5   35      3    4    7   13   16   22   31   40   70   88  107  122  129  136  141  148  153  156  160  163 
LCS_GDT     N     6_A     N     6_A      4    8   35      3    3    9   14   22   35   67   87  100  111  120  126  129  136  142  148  153  156  160  163 
LCS_GDT     K     7_A     K     7_A      4    8   35      3    3    5    6   11   20   38   68   91  108  118  126  130  136  142  148  153  156  160  163 
LCS_GDT     N     8_A     N     8_A      6    8   35      4    5    6    6   10   18   26   38   56   75   91  105  119  136  142  148  153  156  160  163 
LCS_GDT     F     9_A     F     9_A      6    8   35      4    5    6    6   12   18   29   41   60   82   96  112  127  136  142  148  153  156  160  163 
LCS_GDT     V    10_A     V    10_A      6    8   35      4    5    8   10   14   18   25   41   54   70   88  103  118  130  142  147  153  156  160  163 
LCS_GDT     I    11_A     I    11_A      6    8   35      4    5    6    6    9   15   26   36   54   75   96  108  127  136  142  148  153  156  160  163 
LCS_GDT     S    12_A     S    12_A      6    8   35      3    5    6    6    8    9   11   20   26   69   90  112  127  136  142  148  153  156  160  163 
LCS_GDT     I    13_A     I    13_A      6   12   35      3    5    6    6   14   18   25   31   42   63   79  106  121  128  142  148  153  156  160  163 
LCS_GDT     S    14_A     S    14_A      4   14   35      3    4    6   12   13   16   19   27   33   39   61   98  115  131  137  145  153  156  160  163 
LCS_GDT     T    15_A     T    15_A      4   14   35      3    4    5    6    9   15   18   24   29   37   66  105  123  133  142  147  153  156  160  163 
LCS_GDT     A    16_A     A    16_A     12   16   35      4   11   12   20   39   60   77  103  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E    17_A     E    17_A     12   16   35      7   11   13   20   27   50   87   94  112  117  121  125  130  136  142  148  153  156  160  163 
LCS_GDT     Q    18_A     Q    18_A     12   16   35      7   11   12   22   51   81   99  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     R    19_A     R    19_A     12   16   35      7   17   36   57   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     R    20_A     R    20_A     12   16   35      7   12   36   54   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     N    21_A     N    21_A     12   16   35      7   12   21   45   62   79  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     H    22_A     H    22_A     12   16   35      7   13   34   49   67   82  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I    23_A     I    23_A     12   16   35      7   18   34   52   69   82  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I    24_A     I    24_A     12   16   35      6   12   21   45   58   77   94  107  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E    25_A     E    25_A     12   16   35      6   11   17   31   48   67   86  102  112  117  121  125  130  136  142  148  153  156  160  163 
LCS_GDT     Q    26_A     Q    26_A     12   16   35      6   11   12   29   48   67   86  102  112  117  121  125  130  136  142  148  153  156  160  163 
LCS_GDT     F    27_A     F    27_A     12   16   35      3   13   36   52   66   82  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     T    28_A     T    28_A      7   16   35      3    5    7   12   15   33   58   75  101  110  121  124  130  136  142  148  153  156  160  163 
LCS_GDT     H    29_A     H    29_A      7   16   35      3    5   10   16   27   36   58   72   81  101  114  124  128  131  138  146  153  155  160  163 
LCS_GDT     Q    30_A     Q    30_A      7   16   35      3    7   16   24   32   41   70   94  101  108  117  124  128  133  141  147  153  155  160  163 
LCS_GDT     N    31_A     N    31_A      7   16   35      3    4    7   15   26   41   66   94  101  110  118  124  128  133  142  148  153  155  160  163 
LCS_GDT     I    32_A     I    32_A      4   16   35      3    7   16   24   32   38   55   77   94  108  117  124  128  131  137  144  150  153  160  163 
LCS_GDT     P    33_A     P    33_A      4    8   35      1    4    8   21   47   60   77   94  101  112  120  124  130  134  142  148  153  155  160  163 
LCS_GDT     F    34_A     F    34_A      5    8   35      3    4   14   29   45   67   86  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E    35_A     E    35_A      5    8   35      4   13   29   49   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F    36_A     F    36_A      5    8   35      4    6   15   32   47   70   93  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F    37_A     F    37_A      5    8   35      4   22   46   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D    38_A     D    38_A      5    8   35      5    7   15   31   56   79  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A    39_A     A    39_A      5    8   35      3   10   31   52   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F    40_A     F    40_A      4    8   35      3    4   10   43   66   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     T    41_A     T    41_A      4   10   34      3    4    5   26   41   63   81   95  107  115  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     P    42_A     P    42_A      4   10   29      3    3   11   19   29   41   52   71   88  101  112  120  128  134  141  143  149  154  159  163 
LCS_GDT     S    43_A     S    43_A      9   10   27      7    8    9   15   23   33   46   55   74   89  107  113  122  129  137  141  149  154  159  162 
LCS_GDT     D    44_A     D    44_A      9   10   25      7    8    9   11   20   22   37   48   53   68   80   95  110  120  129  137  144  151  157  160 
LCS_GDT     K    45_A     K    45_A      9   10   25      7    8    9   12   15   16   19   25   33   38   45   64   76   99  113  132  138  147  154  157 
LCS_GDT     L    46_A     L    46_A      9   12   25      7    8    9   11   13   15   19   28   34   46   60   69   84  104  113  132  138  147  154  157 
LCS_GDT     T    47_A     T    47_A      9   12   25      7    8    9   11   13   14   20   28   34   44   50   68   74   83  101  109  128  139  147  155 
LCS_GDT     D    48_A     D    48_A      9   12   25      7    8    9   11   13   15   17   22   30   34   46   53   62   73   76   88  104  119  133  141 
LCS_GDT     H    49_A     H    49_A      9   12   25      7    8    9   11   13   14   15   19   25   31   38   42   48   56   62   70   94  101  108  115 
LCS_GDT     L    50_A     L    50_A      9   12   25      4    8    9   11   13   16   18   19   25   31   35   42   48   54   62   67   94  101  108  115 
LCS_GDT     Q    51_A     Q    51_A      9   12   25      4    5    9   11   13   16   18   19   25   31   35   42   48   54   62   70   76  101  108  115 
LCS_GDT     R    52_A     R    52_A      5   12   25      3    3    5    5   10   16   18   24   27   31   36   43   62   73   76   80   94  101  108  131 
LCS_GDT     Y    53_A     Y    53_A      5   12   25      3    3    7    9   11   16   18   19   25   31   35   43   49   55   62   70   94  101  108  115 
LCS_GDT     L    54_A     L    54_A      5   12   25      2    3    5    5   10   16   18   19   25   31   35   42   48   56   62   70   94  101  108  115 
LCS_GDT     P    55_A     P    55_A      3   12   25      3    3    7    9   11   12   16   19   24   29   36   38   48   55   62   70   76  101  108  115 
LCS_GDT     N    56_A     N    56_A      3   12   25      3    3    7    9   11   12   16   19   24   29   36   38   49   55   62   70   76  101  108  115 
LCS_GDT     V    57_A     V    57_A      3   12   30      3    3    7    9   11   12   16   19   27   31   36   43   62   73   76   80  111  119  124  141 
LCS_GDT     A    58_A     A    58_A      3    5   40      3    3    3    5    5    8   16   24   27   34   60   68   84  102  114  132  139  147  154  160 
LCS_GDT     N    59_A     N    59_A      4    5   68      2    4    4    6    9   11   16   24   27   37   60   68   79   92  109  126  138  143  153  157 
LCS_GDT     A    60_A     A    60_A      4    6   69      0    4    4    5    9   13   26   34   40   58   70   86  101  113  124  134  141  150  157  160 
LCS_GDT     A    61_A     A    61_A      4    6   69      3    4    4    8   11   20   26   36   45   69   77  105  117  130  137  143  149  154  159  162 
LCS_GDT     Q    62_A     Q    62_A      4    6   69      3    5    6    8   19   32   41   54   66   76   88  105  116  126  137  142  149  153  157  161 
LCS_GDT     L    63_A     L    63_A      4    6   69      3    5    7    8   27   55   76   92  106  113  120  126  130  136  141  148  153  156  160  163 
LCS_GDT     T    64_A     T    64_A      4   35   69      3   10   25   48   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     M    65_A     M    65_A     27   35   69      7   22   43   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     G    66_A     G    66_A     28   35   69     14   37   49   58   70   81   94  106  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E    67_A     E    67_A     28   35   69     14   37   49   58   70   83  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K    68_A     K    68_A     28   35   69     14   37   49   58   70   83  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     G    69_A     G    69_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     C    70_A     C    70_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L    71_A     L    71_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     M    72_A     M    72_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     S    73_A     S    73_A     28   35   69     11   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     H    74_A     H    74_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F    75_A     F    75_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     M    76_A     M    76_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L    77_A     L    77_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     W    78_A     W    78_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K    79_A     K    79_A     28   35   69     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K    80_A     K    80_A     28   35   69     14   30   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     C    81_A     C    81_A     28   35   69      3   20   45   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I    82_A     I    82_A     28   35   69      9   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D    83_A     D    83_A     28   35   69     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E    84_A     E    84_A     28   35   69     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     N    85_A     N    85_A     28   35   69     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L    86_A     L    86_A     28   35   69      7   31   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D    87_A     D    87_A     28   35   69     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Y    88_A     Y    88_A     28   35   69      7   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I    89_A     I    89_A     28   35   69      6   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     T    90_A     T    90_A     28   35   69     10   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L    91_A     L    91_A     28   35   69      7   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F    92_A     F    92_A     28   35   69      5   25   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E    93_A     E    93_A     28   35   69      6   23   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D    94_A     D    94_A     13   35   69      6   17   41   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D    95_A     D    95_A     11   35   69      6   16   37   56   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I    96_A     I    96_A     10   35   69      3    7   22   49   66   80  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L    97_A     L    97_A      9   35   69      3    7   16   29   47   66   86   99  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L    98_A     L    98_A      8   35   69      3    7   16   24   39   60   77   95  109  117  121  124  130  136  142  148  153  156  160  163 
LCS_GDT     G    99_A     G    99_A      7   13   69      3    7   10   16   32   38   45   57   83  102  110  120  128  131  140  144  151  155  159  163 
LCS_GDT     E   100_A     E   100_A      7   12   69      3    5    8    9   41   60   77   94  109  117  121  124  130  136  142  148  153  156  160  163 
LCS_GDT     N   101_A     N   101_A      7   10   69      3   13   36   53   66   79  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A   102_A     A   102_A      7   10   69      4   14   35   52   66   78   94  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     N   103_A     N   103_A      7   10   69      4   12   27   46   63   78   96  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K   104_A     K   104_A      7   10   69      3   21   45   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F   105_A     F   105_A      7   10   69      4   12   36   57   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   106_A     L   106_A      7   10   69      4    6   10   43   59   74   88  102  112  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A   107_A     A   107_A      5   10   69      2    4   12   15   33   44   62   73   90  101  114  122  129  136  141  148  153  156  160  163 
LCS_GDT     E   108_A     E   108_A      4   10   69      3    6   14   17   23   31   38   75   82  101  111  122  126  136  141  148  153  156  160  163 
LCS_GDT     G   109_A     G   109_A      8   10   69      3   12   14   35   48   72   84  100  112  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D   110_A     D   110_A      8   10   69      4   12   21   42   64   84  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     W   111_A     W   111_A      8   10   69      4   12   21   43   68   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   112_A     L   112_A      8   10   69      4    9   14   40   64   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K   113_A     K   113_A      8   10   69      4    8   14   40   66   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     V   114_A     V   114_A      8   10   69      4    8   16   38   57   81  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     R   115_A     R   115_A      8   10   69      4    9   16   37   57   82  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F   116_A     F   116_A      8   10   69      3    9   26   48   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     N   117_A     N   117_A      4   10   69      3   15   27   51   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F   118_A     F   118_A      4    4   69      3    4    7    8   14   18   25   41   60   81  104  120  129  136  142  148  153  156  160  163 
LCS_GDT     Q   119_A     Q   119_A      4    8   69      3    4    6   10   12   24   30   44   53   70   98  109  127  136  141  148  153  156  160  163 
LCS_GDT     E   120_A     E   120_A      4    8   69      3    6   13   23   46   69   91  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I   121_A     I   121_A      4    8   69      3    3    6   10   21   30   53   64   77   92  112  125  130  136  142  148  153  156  160  163 
LCS_GDT     F   122_A     F   122_A      4    8   69      3    5   15   33   57   82  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     V   123_A     V   123_A      4    8   69      3    6   12   23   36   60   80   99  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   124_A     L   124_A      4    8   69      3    9   21   48   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     R   125_A     R   125_A      3    8   69      3    9   21   53   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   126_A     L   126_A      4    8   69      3    5    6   14   35   47   74   94  104  111  120  126  130  136  142  148  153  156  160  163 
LCS_GDT     E   127_A     E   127_A      4    7   69      3    4   12   19   42   57   66   76   92  104  111  118  125  131  141  147  153  156  160  163 
LCS_GDT     T   128_A     T   128_A      4    7   69      3    4    7   17   42   57   69   76   91  100  109  115  121  131  137  141  150  156  160  163 
LCS_GDT     F   129_A     F   129_A      4    8   69      3    4   15   26   47   57   64   75   85   94  109  113  122  128  137  145  151  156  160  163 
LCS_GDT     L   130_A     L   130_A      4    8   69      3    4    4    5    8    9   24   31   32   69   76   82   91  105  116  125  138  148  154  158 
LCS_GDT     M   131_A     M   131_A      4    8   13      3    4    4    5    7    9   10   13   35   42   55   70   80   88   93  103  115  131  141  150 
LCS_GDT     P   132_A     P   132_A      5    8   13      3    3    5    7    8    9   10   17   29   34   39   46   58   65   77   90  101  113  126  135 
LCS_GDT     V   133_A     V   133_A      5    8   13      3    4    5    7    8    9   10   16   25   29   39   48   58   65   77   84   94  102  112  120 
LCS_GDT     Q   134_A     Q   134_A      5    8   13      3    4    5    6    8    9   10   16   21   25   29   34   39   46   62   72   76   88   97  106 
LCS_GDT     L   135_A     L   135_A      5    8   13      3    4    5    7    8    9   10   10   17   20   22   26   29   32   45   50   57   63   77   88 
LCS_GDT     E   136_A     E   136_A      5    8   15      3    4    5    7    8    9   10   10   17   20   22   26   29   30   38   40   45   52   67   76 
LCS_GDT     K   137_A     K   137_A      5    8   15      3    4    5    7    8    9   10   10   17   20   22   26   29   30   34   38   45   51   57   59 
LCS_GDT     Q   138_A     Q   138_A      4    7   15      0    4    5    6    7    8    9   10   17   20   22   26   29   30   34   38   45   51   57   59 
LCS_GDT     T   139_A     T   139_A      3    4   15      3    3    4    4    7    7    9   10   14   16   17   19   24   29   34   38   41   48   50   54 
LCS_GDT     Q   140_A     Q   140_A      5    5   15      3    5    5    5    5    8    9   10   14   16   17   18   24   24   26   30   35   37   40   44 
LCS_GDT     I   141_A     I   141_A      5    5   15      4    5    5    5    5    6    7    8   11   13   15   18   20   23   27   27   34   41   48   53 
LCS_GDT     P   142_A     P   142_A      5    5   15      4    5    5    5    5    6    7    8   11   13   14   17   20   23   24   26   27   29   31   33 
LCS_GDT     P   143_A     P   143_A      5    5   15      4    5    5    5    5    6    7    8   11   13   16   17   20   23   24   26   31   32   35   37 
LCS_GDT     F   144_A     F   144_A      5    5   15      4    5    5    5    5    6    7    9   11   13   16   16   20   23   24   26   31   32   35   37 
LCS_GDT     Q   145_A     Q   145_A      3    5   15      0    3    4    5    5    6    7    9   11   13   16   17   20   23   24   26   27   27   28   30 
LCS_GDT     Q   146_A     Q   146_A      4    5   15      3    3    4    5    7    8    9    9   10   13   16   16   20   23   24   26   31   32   35   37 
LCS_GDT     R   147_A     R   147_A      4    5   15      3    3    4    5    7    8    9   10   11   14   17   18   21   31   35   39   49   69   80   90 
LCS_GDT     D   148_A     D   148_A      4    7   15      3    3    4    6    8   11   11   11   14   16   17   23   26   31   35   44   47   55   70   81 
LCS_GDT     I   149_A     I   149_A      5    7   15      3    3    5    6    8   11   11   11   14   16   17   18   21   28   33   36   38   41   54   59 
LCS_GDT     D   150_A     D   150_A      5    7   15      3    3    5    5    8   11   11   11   14   16   22   25   25   39   45   51   57   64   76   85 
LCS_GDT     I   151_A     I   151_A      5    7   12      3    3    5    5    8   11   11   11   14   16   20   25   35   39   45   51   59   69   79   88 
LCS_GDT     L   152_A     L   152_A      5    7   12      3    3    5    6    8   11   12   18   26   31   32   36   41   48   56   65   76   88   97  106 
LCS_GDT     T   153_A     T   153_A      5    7   28      3    3    5    6    8   11   11   18   26   31   32   37   45   54   62   74   86   92  105  114 
LCS_GDT     S   154_A     S   154_A      3    7   62      3    3    5    5   11   17   22   28   33   41   57   60   69   80   88  100  109  119  130  139 
LCS_GDT     K   155_A     K   155_A      4    7   62      3    3    4    6    8   11   12   14   31   40   46   55   72   82   92  100  105  120  135  150 
LCS_GDT     H   156_A     H   156_A      4    7   62      3    3    9   19   24   41   59   68   72   84   95  109  119  128  140  145  151  156  160  163 
LCS_GDT     F   157_A     F   157_A      4   25   62      0    3    4    5    9   14   24   40   71   78   95  109  118  136  141  145  153  156  160  163 
LCS_GDT     G   158_A     G   158_A     20   36   62      3   12   47   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     T   159_A     T   159_A     20   36   62     10   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A   160_A     A   160_A     20   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     G   161_A     G   161_A     20   36   62      6   30   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Y   162_A     Y   162_A     20   36   62      9   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     V   163_A     V   163_A     20   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I   164_A     I   164_A     20   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     S   165_A     S   165_A     20   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Q   166_A     Q   166_A     20   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     G   167_A     G   167_A     20   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A   168_A     A   168_A     20   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A   169_A     A   169_A     20   36   62      6   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K   170_A     K   170_A     20   36   62      7   22   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Y   171_A     Y   171_A     20   36   62      6   26   48   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   172_A     L   172_A     20   36   62      6   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I   173_A     I   173_A     20   36   62      6   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A   174_A     A   174_A     20   36   62      7   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   175_A     L   175_A     20   36   62      5   33   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F   176_A     F   176_A     20   36   62     10   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E   177_A     E   177_A     20   36   62      6   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K   178_A     K   178_A     16   36   62      3   13   37   57   70   85  100  108  112  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   179_A     L   179_A     16   36   62      8   13   26   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     T   180_A     T   180_A      4   36   62      3    4   19   49   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     T   181_A     T   181_A      4   36   62      3   26   47   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E   182_A     E   182_A     11   36   62      4    8   13   29   51   71   84   99  108  116  120  126  130  136  141  148  151  156  159  163 
LCS_GDT     E   183_A     E   183_A     11   36   62      4    5   13   29   53   76   89  103  112  116  121  126  130  136  141  148  153  156  160  163 
LCS_GDT     I   184_A     I   184_A     11   36   62      4   11   26   48   66   83  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     K   185_A     K   185_A     11   36   62      4   17   41   57   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     P   186_A     P   186_A     11   36   62     14   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I   187_A     I   187_A     11   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D   188_A     D   188_A     11   36   62      7   32   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     E   189_A     E   189_A     11   36   62     13   37   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I   190_A     I   190_A     11   36   62      5   23   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     M   191_A     M   191_A     11   36   62      8   17   43   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     F   192_A     F   192_A     11   36   62      8   14   34   57   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     N   193_A     N   193_A     10   36   62      3    4   12   40   57   68   81  100  105  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Q   194_A     Q   194_A      5   12   62      3    9   22   36   54   62   69   85   99  112  120  125  130  136  142  148  153  156  160  163 
LCS_GDT     Q   195_A     Q   195_A      5   12   62      3    4   18   36   55   68   84  100  106  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I   196_A     I   196_A      5    6   62      3    4    5   10   19   26   42   65   76   98  109  119  126  131  139  144  151  156  160  163 
LCS_GDT     N   197_A     N   197_A      5    6   62      3    4    5    6   14   21   28   65   76   98  106  119  124  130  139  144  151  156  160  163 
LCS_GDT     A   198_A     A   198_A      3    6   62      3    3   13   53   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     T   199_A     T   199_A      4    6   62      3    5   20   40   54   71   88  102  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     D   200_A     D   200_A      4    6   62      3    4    6   29   47   79   94  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Y   201_A     Y   201_A      4    6   62      3    4   33   53   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     R   202_A     R   202_A      4    8   62      3    5   13   33   52   82  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     V   203_A     V   203_A      4    8   62      3    9   21   38   66   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Y   204_A     Y   204_A      5    8   62      6   26   49   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     Q   205_A     Q   205_A      5    8   62      4   19   39   57   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     L   206_A     L   206_A      5    8   62      4    9   36   57   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     N   207_A     N   207_A      5    8   62      4   11   25   53   69   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     P   208_A     P   208_A      5    8   62      3    6   11   40   57   82  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     A   209_A     A   209_A      4    8   62      3   19   41   58   70   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     I   210_A     I   210_A      3    8   62      3    6   19   52   66   85  100  108  113  117  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     C   211_A     C   211_A      3    5   62      3    5   11   23   48   74   86  100  111  116  121  126  130  136  142  148  153  156  160  163 
LCS_GDT     V   212_A     V   212_A      3    5   62      0    3   10   23   56   74   85  100  105  116  120  126  130  136  142  148  153  156  160  163 
LCS_GDT     Q   213_A     Q   213_A      3    6   62      3    3    4    6    8    9   10   14   18   24   49   72   97  119  130  137  145  152  157  161 
LCS_GDT     E   214_A     E   214_A      5    6   62      3    5    5    6    8   12   20   33   65   79   91  105  117  125  132  143  147  153  159  162 
LCS_GDT     L   215_A     L   215_A      5    6   62      4    5    8   12   17   25   33   44   57   74   84   91  101  111  126  134  144  150  155  160 
LCS_GDT     Q   216_A     Q   216_A      5    6   62      4    5    5    6    6    7   15   20   26   28   32   50   54   63  104  118  127  138  147  154 
LCS_GDT     L   217_A     L   217_A      5    6   62      4    5    5    6    6    7   10   20   26   33   39   50   83   98  108  122  134  142  148  156 
LCS_GDT     N   218_A     N   218_A      5    6   19      4    5    5    6   12   18   26   32   38   49   62   74   85   98  108  118  127  138  145  154 
LCS_GDT     Q   219_A     Q   219_A      4    6   19      4    4    4    6    6    7    9   11   13   19   22   26   36   53   65   85   93  101  110  124 
LCS_GDT     E   220_A     E   220_A      4    5   19      4    4    4    4    5    6    9    9   13   19   22   25   26   31   34   42   49   62   71   89 
LCS_GDT     A   221_A     A   221_A      4    5   19      4    4    4    4    5    6   17   25   29   34   39   46   55   69   75   85   93  105  110  124 
LCS_GDT     S   222_A     S   222_A      4    5   19      4    4    4    4    9   13   20   25   28   34   38   46   56   69   75   85   93  105  110  124 
LCS_GDT     L   223_A     L   223_A      3    5   14      0    3    3    3    5    6    6    8   13   20   29   34   40   51   61   73   82   97  104  111 
LCS_GDT     L   224_A     L   224_A      3    4   13      0    3    3    3    4    6    6    7   10   14   17   18   22   35   42   49   59   76   84   94 
LCS_GDT     V   225_A     V   225_A      3    4   12      0    3    3    3    4    5    5    7    9   12   13   17   20   23   26   38   40   44   47   72 
LCS_GDT     S   226_A     S   226_A      3    4   12      0    3    3    5    5    9    9   10   11   13   16   17   20   23   32   38   40   47   68   75 
LCS_GDT     N   227_A     N   227_A      3    4   14      3    4    4    5    7   11   11   11   14   16   17   18   20   24   32   37   45   58   68   78 
LCS_GDT     L   228_A     L   228_A      4    4   14      3    4    4    6    7   11   11   11   14   16   17   18   20   24   28   28   37   46   59   70 
LCS_GDT     E   229_A     E   229_A      4    5   14      3    4    4    5    7    8    9   10   13   16   17   18   21   24   28   28   31   33   35   45 
LCS_GDT     Q   230_A     Q   230_A      4    5   14      3    3    4    5    5    6    7   10   11   13   17   18   21   23   25   26   51   76   96  120 
LCS_GDT     E   231_A     E   231_A      4    5   14      3    3    4    5    5    6    7   10   11   16   17   18   21   23   28   36   44   52   64   76 
LCS_GDT     R   232_A     R   232_A      3    5   14      3    4    4    4    7    8    9   10   13   16   17   18   21   24   28   28   35   44   51   63 
LCS_GDT     K   233_A     K   233_A      3    5   14      3    3    4    4    5    9    9    9   13   16   17   18   20   24   28   28   31   33   35   46 
LCS_GDT     I   234_A     I   234_A      3    3   14      3    3    3    3    4    9    9    9   12   13   17   18   21   24   28   28   31   33   35   39 
LCS_GDT     N   235_A     N   235_A      3    3   14      3    3    3    6    7    9    9    9   12   13   16   16   18   21   24   27   31   33   35   39 
LCS_GDT     L   236_A     L   236_A      3    3   14      3    3    3    3    4    4    6    7    8   10   16   16   17   21   21   23   26   33   35   39 
LCS_GDT     K   237_A     K   237_A      3    4   14      3    3    3    3    4    5    7    9   12   13   16   16   18   21   22   25   26   33   35   39 
LCS_GDT     Y   238_A     Y   238_A      3    4   14      3    3    5    6    7    7    8    9   12   13   16   16   18   21   22   25   26   33   35   39 
LCS_GDT     E   239_A     E   239_A      3    4   14      3    3    3    3    4    5    8    9   12   13   16   16   18   21   21   24   26   29   32   35 
LCS_GDT     K   240_A     K   240_A      3    4   14      3    4    5    6    7    7    7    8   10   13   16   16   18   21   22   24   26   33   35   39 
LCS_AVERAGE  LCS_A:  10.35  (   4.09    6.94   20.03 )

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     14     37     49     58     70     85    100    108    113    117    121    126    130    136    142    148    153    156    160    163 
GDT PERCENT_AT   5.86  15.48  20.50  24.27  29.29  35.56  41.84  45.19  47.28  48.95  50.63  52.72  54.39  56.90  59.41  61.92  64.02  65.27  66.95  68.20
GDT RMS_LOCAL    0.24   0.73   0.91   1.14   1.49   1.91   2.23   2.45   2.60   2.75   2.84   3.11   3.22   3.67   3.96   4.21   4.48   4.59   4.79   4.91
GDT RMS_ALL_AT  16.28  16.74  16.65  16.87  16.95  17.18  17.15  17.01  16.93  16.86  17.03  17.05  16.95  17.22  16.82  17.03  16.99  17.04  16.95  16.89

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  Y    88_A      Y    88_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  E   127_A      E   127_A
#   possible swapping detected:  F   129_A      F   129_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   183_A      E   183_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  Y   204_A      Y   204_A
#   possible swapping detected:  E   231_A      E   231_A
#   possible swapping detected:  E   239_A      E   239_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N     2_A      N     2_A    13.317     0    0.692   0.847    18.542    0.000    0.000
LGA    S     3_A      S     3_A    11.927     0    0.115   0.467    13.086    1.310    0.873
LGA    T     4_A      T     4_A    10.282     0    0.324   1.059    12.841    0.000    0.000
LGA    E     5_A      E     5_A    10.298     0    0.342   0.987    14.514    3.214    1.429
LGA    N     6_A      N     6_A     7.693     0    0.637   1.115    11.745    8.810    5.833
LGA    K     7_A      K     7_A     7.122     0    0.080   1.739     8.171    8.810   12.116
LGA    N     8_A      N     8_A     9.711     0    0.611   0.678    12.967    1.786    0.893
LGA    F     9_A      F     9_A     9.194     0    0.041   0.388    12.171    1.190    0.866
LGA    V    10_A      V    10_A    10.407     0    0.180   1.123    14.655    0.238    0.136
LGA    I    11_A      I    11_A     9.275     0    0.032   0.114    12.067    1.190    0.655
LGA    S    12_A      S    12_A     9.333     0    0.056   0.097    10.428    1.190    0.873
LGA    I    13_A      I    13_A     9.643     0    0.072   1.097    13.370    1.905    1.369
LGA    S    14_A      S    14_A     9.536     0    0.648   0.877    11.375    0.833    0.556
LGA    T    15_A      T    15_A     8.747     0    0.667   1.407     9.196    3.571    3.878
LGA    A    16_A      A    16_A     4.788     0    0.464   0.482     5.866   35.000   35.429
LGA    E    17_A      E    17_A     5.051     0    0.053   1.168     9.742   33.214   18.360
LGA    Q    18_A      Q    18_A     3.620     0    0.050   1.191     8.177   50.595   37.831
LGA    R    19_A      R    19_A     1.658     0    0.081   0.301     4.215   75.119   59.394
LGA    R    20_A      R    20_A     2.101     0    0.032   1.124     5.996   62.976   52.208
LGA    N    21_A      N    21_A     3.464     0    0.082   0.975     5.142   50.119   49.107
LGA    H    22_A      H    22_A     2.816     0    0.028   1.379     5.632   50.357   46.476
LGA    I    23_A      I    23_A     2.758     0    0.111   0.791     4.287   48.690   58.810
LGA    I    24_A      I    24_A     4.367     0    0.063   0.697     5.819   32.024   31.905
LGA    E    25_A      E    25_A     6.094     0    0.059   0.697     7.254   18.452   17.884
LGA    Q    26_A      Q    26_A     5.801     0    0.305   1.187     8.367   18.571   16.878
LGA    F    27_A      F    27_A     3.041     0    0.047   1.405     4.656   40.476   50.390
LGA    T    28_A      T    28_A     6.775     0    0.148   1.092     9.335   12.738   10.952
LGA    H    29_A      H    29_A    10.237     0    0.079   1.203    13.559    1.190    0.476
LGA    Q    30_A      Q    30_A     9.259     0    0.626   0.632    10.056    2.500    1.640
LGA    N    31_A      N    31_A     8.029     0    0.123   1.250    10.099    3.929    2.917
LGA    I    32_A      I    32_A     9.165     0    0.613   0.626    14.427    3.452    1.726
LGA    P    33_A      P    33_A     7.351     0    0.681   0.850     8.399    8.810    7.823
LGA    F    34_A      F    34_A     4.928     0    0.620   1.363    11.700   29.048   13.896
LGA    E    35_A      E    35_A     2.275     0    0.124   0.523     7.859   54.048   39.524
LGA    F    36_A      F    36_A     4.330     0    0.144   1.228    13.595   52.500   20.476
LGA    F    37_A      F    37_A     1.008     0    0.075   1.183     7.697   71.429   40.649
LGA    D    38_A      D    38_A     3.396     0    0.058   1.238     8.147   57.500   33.869
LGA    A    39_A      A    39_A     1.644     0    0.229   0.303     3.613   68.929   63.810
LGA    F    40_A      F    40_A     2.893     0    0.075   0.105     8.213   40.714   26.277
LGA    T    41_A      T    41_A     6.958     0    0.589   0.764     8.641   13.095   12.245
LGA    P    42_A      P    42_A    10.492     0    0.649   0.555    11.090    0.714    1.020
LGA    S    43_A      S    43_A    11.883     0    0.269   0.649    14.845    0.000    0.000
LGA    D    44_A      D    44_A    15.853     0    0.110   1.158    18.640    0.000    0.000
LGA    K    45_A      K    45_A    17.512     0    0.101   1.135    19.948    0.000    0.000
LGA    L    46_A      L    46_A    16.992     0    0.178   1.357    19.319    0.000    0.000
LGA    T    47_A      T    47_A    19.855     0    0.031   1.375    22.819    0.000    0.000
LGA    D    48_A      D    48_A    22.872     0    0.124   0.193    25.530    0.000    0.000
LGA    H    49_A      H    49_A    24.003     0    0.068   1.111    25.567    0.000    0.000
LGA    L    50_A      L    50_A    23.846     0    0.109   0.452    25.836    0.000    0.000
LGA    Q    51_A      Q    51_A    26.331     0    0.472   1.191    31.111    0.000    0.000
LGA    R    52_A      R    52_A    23.400     0    0.154   0.578    24.473    0.000    0.000
LGA    Y    53_A      Y    53_A    23.037     0    0.088   1.437    23.243    0.000    0.000
LGA    L    54_A      L    54_A    22.699     0    0.126   1.128    23.457    0.000    0.000
LGA    P    55_A      P    55_A    24.011     0    0.381   0.578    24.952    0.000    0.000
LGA    N    56_A      N    56_A    23.157     0    0.603   1.134    23.574    0.000    0.000
LGA    V    57_A      V    57_A    19.518     0    0.615   1.412    20.784    0.000    0.000
LGA    A    58_A      A    58_A    15.461     0    0.515   0.520    17.256    0.000    0.000
LGA    N    59_A      N    59_A    17.039     0    0.486   0.896    17.408    0.000    0.000
LGA    A    60_A      A    60_A    15.144     0    0.169   0.205    15.514    0.000    0.000
LGA    A    61_A      A    61_A    12.174     0    0.687   0.623    13.284    0.000    0.000
LGA    Q    62_A      Q    62_A    13.003     0    0.459   1.625    14.924    0.000    0.000
LGA    L    63_A      L    63_A     7.010     0    0.234   0.313     8.915   15.119   15.536
LGA    T    64_A      T    64_A     2.406     0    0.160   0.957     4.872   57.976   54.014
LGA    M    65_A      M    65_A     3.118     0    0.498   1.276     9.872   52.500   35.774
LGA    G    66_A      G    66_A     3.884     0    0.422   0.422     3.884   50.119   50.119
LGA    E    67_A      E    67_A     3.299     0    0.041   0.612     4.248   50.119   48.624
LGA    K    68_A      K    68_A     3.328     0    0.042   1.759     7.358   50.000   43.175
LGA    G    69_A      G    69_A     3.135     0    0.020   0.020     3.314   53.571   53.571
LGA    C    70_A      C    70_A     2.501     0    0.056   0.080     2.800   60.952   60.952
LGA    L    71_A      L    71_A     2.208     0    0.044   0.953     3.662   66.786   65.179
LGA    M    72_A      M    72_A     2.428     0    0.069   0.645     6.539   66.786   49.405
LGA    S    73_A      S    73_A     1.676     0    0.086   0.712     3.436   75.119   71.984
LGA    H    74_A      H    74_A     1.042     0    0.032   0.279     1.372   83.690   85.048
LGA    F    75_A      F    75_A     1.247     0    0.075   1.285     7.720   81.429   52.468
LGA    M    76_A      M    76_A     1.903     0    0.025   1.116     5.665   72.857   60.238
LGA    L    77_A      L    77_A     1.271     0    0.078   0.879     3.222   81.429   77.560
LGA    W    78_A      W    78_A     0.831     0    0.084   0.442     3.802   85.952   78.367
LGA    K    79_A      K    79_A     1.815     0    0.042   0.759     3.940   70.952   58.730
LGA    K    80_A      K    80_A     2.224     0    0.596   0.871     3.590   59.405   58.254
LGA    C    81_A      C    81_A     2.902     0    0.101   0.776     5.563   55.357   50.000
LGA    I    82_A      I    82_A     2.070     0    0.109   1.562     5.071   68.810   57.619
LGA    D    83_A      D    83_A     1.732     0    0.100   0.162     1.959   72.857   72.857
LGA    E    84_A      E    84_A     1.642     0    0.230   0.734     2.218   72.857   72.011
LGA    N    85_A      N    85_A     1.623     0    0.225   1.141     5.723   79.405   59.048
LGA    L    86_A      L    86_A     1.777     0    0.059   1.131     4.747   72.857   63.690
LGA    D    87_A      D    87_A     1.501     0    0.039   0.516     2.314   75.000   73.988
LGA    Y    88_A      Y    88_A     1.338     0    0.033   1.503     8.346   85.952   56.151
LGA    I    89_A      I    89_A     0.436     0    0.089   1.101     3.948   92.857   78.452
LGA    T    90_A      T    90_A     0.676     0    0.098   1.002     2.674   88.214   79.660
LGA    L    91_A      L    91_A     0.995     0    0.057   1.347     4.676   85.952   72.321
LGA    F    92_A      F    92_A     1.397     0    0.072   0.155     1.850   81.429   75.974
LGA    E    93_A      E    93_A     1.657     0    0.064   1.071     2.470   72.857   73.069
LGA    D    94_A      D    94_A     1.417     0    0.237   1.171     4.340   73.214   67.619
LGA    D    95_A      D    95_A     2.468     0    0.071   0.406     4.407   57.738   56.905
LGA    I    96_A      I    96_A     3.582     0    0.150   1.104     5.331   39.524   45.179
LGA    L    97_A      L    97_A     5.729     0    0.129   1.355    10.532   23.929   15.476
LGA    L    98_A      L    98_A     6.601     0    0.070   0.078     8.961    9.524   15.417
LGA    G    99_A      G    99_A     9.947     0    0.682   0.682     9.947    2.738    2.738
LGA    E   100_A      E   100_A     6.926     0    0.584   1.025    10.706   22.262   10.847
LGA    N   101_A      N   101_A     3.786     0    0.085   1.073     6.388   48.095   39.464
LGA    A   102_A      A   102_A     4.135     0    0.087   0.093     5.696   41.905   37.810
LGA    N   103_A      N   103_A     3.836     0    0.053   1.045     8.348   45.000   32.321
LGA    K   104_A      K   104_A     1.996     0    0.044   0.545     3.675   61.548   66.085
LGA    F   105_A      F   105_A     2.229     0    0.104   1.370     5.263   56.190   53.506
LGA    L   106_A      L   106_A     5.163     0    0.198   0.311     8.137   23.571   22.262
LGA    A   107_A      A   107_A     9.361     0    0.107   0.107    11.543    2.976    2.476
LGA    E   108_A      E   108_A     9.673     0    0.679   1.505    10.382    3.214    1.587
LGA    G   109_A      G   109_A     5.324     0    0.334   0.334     6.910   27.024   27.024
LGA    D   110_A      D   110_A     3.470     0    0.114   0.915     5.366   48.571   40.060
LGA    W   111_A      W   111_A     3.218     0    0.039   1.320    10.218   51.786   24.660
LGA    L   112_A      L   112_A     3.101     0    0.033   1.300     5.558   53.571   48.274
LGA    K   113_A      K   113_A     3.044     0    0.038   1.160     7.582   51.786   39.577
LGA    V   114_A      V   114_A     3.391     0    0.073   1.161     6.022   45.119   38.912
LGA    R   115_A      R   115_A     3.380     0    0.099   1.537     8.198   51.786   35.801
LGA    F   116_A      F   116_A     2.109     0    0.572   0.638     6.013   57.976   46.537
LGA    N   117_A      N   117_A     2.144     0    0.571   1.272     6.794   54.524   42.202
LGA    F   118_A      F   118_A     9.250     0    0.232   1.189    12.132    3.810    1.385
LGA    Q   119_A      Q   119_A    10.413     0    0.287   1.010    17.356    1.190    0.529
LGA    E   120_A      E   120_A     4.403     0    0.414   0.879     6.060   25.476   42.011
LGA    I   121_A      I   121_A     7.544     0    0.274   0.457    13.360   12.143    6.071
LGA    F   122_A      F   122_A     3.072     0    0.184   1.391     8.222   40.476   30.563
LGA    V   123_A      V   123_A     4.664     0    0.163   0.256     9.043   37.500   24.490
LGA    L   124_A      L   124_A     2.285     0    0.357   1.380     6.870   59.167   41.845
LGA    R   125_A      R   125_A     2.070     0    0.171   0.892     4.534   60.952   50.649
LGA    L   126_A      L   126_A     5.873     0    0.656   0.802     9.023   20.476   15.060
LGA    E   127_A      E   127_A     8.250     0    0.196   1.187     9.531    8.214    5.291
LGA    T   128_A      T   128_A     9.344     0    0.152   0.995    12.286    1.071    0.612
LGA    F   129_A      F   129_A     9.468     0    0.172   1.075    10.633    1.190    3.810
LGA    L   130_A      L   130_A    14.450     0    0.079   1.003    19.951    0.000    0.000
LGA    M   131_A      M   131_A    18.445     0    0.362   0.798    25.394    0.000    0.000
LGA    P   132_A      P   132_A    22.370     0    0.652   0.614    23.557    0.000    0.000
LGA    V   133_A      V   133_A    26.442     0    0.147   1.130    28.618    0.000    0.000
LGA    Q   134_A      Q   134_A    30.577     0    0.100   1.004    32.685    0.000    0.000
LGA    L   135_A      L   135_A    36.897     0    0.102   0.961    41.033    0.000    0.000
LGA    E   136_A      E   136_A    38.500     0    0.119   1.137    41.644    0.000    0.000
LGA    K   137_A      K   137_A    43.648     0    0.577   1.386    47.192    0.000    0.000
LGA    Q   138_A      Q   138_A    45.138     0    0.600   0.894    46.582    0.000    0.000
LGA    T   139_A      T   139_A    47.512     0    0.605   1.315    48.827    0.000    0.000
LGA    Q   140_A      Q   140_A    49.015     0    0.596   1.279    51.516    0.000    0.000
LGA    I   141_A      I   141_A    44.712     0    0.150   0.633    46.082    0.000    0.000
LGA    P   142_A      P   142_A    44.409     0    0.147   0.435    46.831    0.000    0.000
LGA    P   143_A      P   143_A    40.200     0    0.597   0.528    41.972    0.000    0.000
LGA    F   144_A      F   144_A    38.527     0    0.518   0.673    39.131    0.000    0.000
LGA    Q   145_A      Q   145_A    38.549     0    0.510   0.815    38.960    0.000    0.000
LGA    Q   146_A      Q   146_A    38.090     0    0.650   1.131    42.768    0.000    0.000
LGA    R   147_A      R   147_A    37.593     0    0.157   1.427    39.097    0.000    0.000
LGA    D   148_A      D   148_A    36.418     0    0.649   0.615    37.236    0.000    0.000
LGA    I   149_A      I   149_A    39.485     0    0.053   0.660    43.636    0.000    0.000
LGA    D   150_A      D   150_A    35.434     0    0.102   0.864    37.965    0.000    0.000
LGA    I   151_A      I   151_A    32.337     0    0.043   1.003    34.048    0.000    0.000
LGA    L   152_A      L   152_A    29.370     0    0.232   0.653    31.796    0.000    0.000
LGA    T   153_A      T   153_A    25.941     0    0.184   0.537    29.055    0.000    0.000
LGA    S   154_A      S   154_A    19.650     0    0.518   1.013    21.898    0.000    0.000
LGA    K   155_A      K   155_A    17.071     0    0.206   1.419    22.119    0.000    0.000
LGA    H   156_A      H   156_A     9.917     0    0.498   0.993    12.686    0.595   21.476
LGA    F   157_A      F   157_A     9.135     0    0.288   0.390    17.879    7.381    2.684
LGA    G   158_A      G   158_A     2.774     0    0.637   0.637     5.072   55.238   55.238
LGA    T   159_A      T   159_A     1.494     0    0.227   1.014     4.192   79.286   68.163
LGA    A   160_A      A   160_A     2.069     0    0.306   0.305     3.128   75.119   70.095
LGA    G   161_A      G   161_A     0.747     0    0.112   0.112     1.186   85.952   85.952
LGA    Y   162_A      Y   162_A     0.629     0    0.080   0.174     1.303   90.476   85.952
LGA    V   163_A      V   163_A     0.702     0    0.041   0.086     1.354   85.952   87.891
LGA    I   164_A      I   164_A     1.150     0    0.065   0.134     1.220   81.429   81.429
LGA    S   165_A      S   165_A     1.262     0    0.042   0.553     3.919   83.690   75.159
LGA    Q   166_A      Q   166_A     1.081     0    0.041   0.161     2.001   81.429   77.672
LGA    G   167_A      G   167_A     1.707     0    0.065   0.065     1.707   79.286   79.286
LGA    A   168_A      A   168_A     1.260     0    0.033   0.038     1.274   83.690   83.238
LGA    A   169_A      A   169_A     0.563     0    0.070   0.090     1.245   92.857   90.571
LGA    K   170_A      K   170_A     2.112     0    0.086   0.627     5.387   72.976   55.503
LGA    Y   171_A      Y   171_A     2.533     0    0.126   1.565    13.434   66.905   30.079
LGA    L   172_A      L   172_A     1.349     0    0.041   0.741     2.145   85.952   79.464
LGA    I   173_A      I   173_A     1.209     0    0.090   1.527     5.967   90.595   70.417
LGA    A   174_A      A   174_A     1.398     0    0.102   0.123     2.067   85.952   81.714
LGA    L   175_A      L   175_A     1.495     0    0.038   1.299     5.814   81.429   63.988
LGA    F   176_A      F   176_A     1.374     0    0.125   1.241     4.559   81.548   65.108
LGA    E   177_A      E   177_A     1.143     0    0.685   1.041     5.250   77.619   61.005
LGA    K   178_A      K   178_A     3.116     0    0.305   1.176     5.091   49.048   43.439
LGA    L   179_A      L   179_A     2.692     0    0.235   1.065     6.732   69.048   46.250
LGA    T   180_A      T   180_A     3.051     0    0.399   1.158     6.746   57.262   42.857
LGA    T   181_A      T   181_A     1.336     0    0.670   0.548     4.720   62.143   54.286
LGA    E   182_A      E   182_A     6.396     0    0.220   0.973     9.106   20.357   11.005
LGA    E   183_A      E   183_A     5.029     0    0.175   1.412     8.929   30.238   20.159
LGA    I   184_A      I   184_A     2.968     0    0.085   0.753     5.895   55.595   46.786
LGA    K   185_A      K   185_A     1.247     0    0.152   0.393     4.798   75.119   68.730
LGA    P   186_A      P   186_A     2.218     0    0.091   0.098     3.305   75.119   66.463
LGA    I   187_A      I   187_A     1.219     0    0.051   1.076     2.347   79.286   75.119
LGA    D   188_A      D   188_A     2.319     0    0.040   0.429     4.191   66.786   56.845
LGA    E   189_A      E   189_A     2.524     0    0.245   0.928     5.485   59.167   48.730
LGA    I   190_A      I   190_A     1.464     0    0.105   1.043     2.655   71.190   71.190
LGA    M   191_A      M   191_A     2.280     0    0.117   0.997     5.236   62.976   55.238
LGA    F   192_A      F   192_A     3.224     0    0.076   1.404    10.574   45.357   24.242
LGA    N   193_A      N   193_A     5.759     0    0.422   0.825     9.955   22.857   15.298
LGA    Q   194_A      Q   194_A     6.918     0    0.183   1.187    11.015   15.238    8.519
LGA    Q   195_A      Q   195_A     5.464     0    0.542   1.240     9.107   17.619   17.937
LGA    I   196_A      I   196_A     8.679     0    0.505   0.668    12.088    6.429    3.214
LGA    N   197_A      N   197_A     9.156     0    0.436   1.120    13.367    5.357    2.679
LGA    A   198_A      A   198_A     3.147     0    0.555   0.598     4.979   56.786   56.857
LGA    T   199_A      T   199_A     4.915     0    0.521   0.572     9.220   38.929   26.259
LGA    D   200_A      D   200_A     4.174     0    0.371   1.181     7.249   37.262   30.655
LGA    Y   201_A      Y   201_A     2.598     0    0.132   0.146     3.722   59.167   56.111
LGA    R   202_A      R   202_A     3.481     0    0.124   0.918     8.395   57.262   32.554
LGA    V   203_A      V   203_A     2.652     0    0.097   1.150     5.873   65.357   57.007
LGA    Y   204_A      Y   204_A     0.861     0    0.187   0.216     3.298   86.190   75.000
LGA    Q   205_A      Q   205_A     1.979     0    0.052   0.951     6.489   72.857   49.894
LGA    L   206_A      L   206_A     2.124     0    0.066   1.314     4.105   64.762   56.012
LGA    N   207_A      N   207_A     2.143     0    0.273   1.113     4.381   54.167   59.345
LGA    P   208_A      P   208_A     3.493     0    0.285   0.295     5.559   56.190   44.218
LGA    A   209_A      A   209_A     1.631     0    0.571   0.560     3.590   72.976   67.048
LGA    I   210_A      I   210_A     3.225     0    0.717   0.843     7.804   46.905   31.190
LGA    C   211_A      C   211_A     5.398     0    0.323   0.786     9.077   31.786   22.619
LGA    V   212_A      V   212_A     6.146     0    0.624   0.500     9.887    9.405   10.952
LGA    Q   213_A      Q   213_A    12.137     0    0.388   1.183    19.041    0.119    0.053
LGA    E   214_A      E   214_A    11.397     0    0.581   1.478    13.285    0.000    0.053
LGA    L   215_A      L   215_A    14.317     0    0.075   0.294    16.912    0.000    0.000
LGA    Q   216_A      Q   216_A    16.836     0    0.065   1.305    19.365    0.000    0.000
LGA    L   217_A      L   217_A    16.548     0    0.130   0.234    19.474    0.000    0.000
LGA    N   218_A      N   218_A    18.990     0    0.604   1.134    21.434    0.000    0.000
LGA    Q   219_A      Q   219_A    25.618     0    0.465   0.938    30.788    0.000    0.000
LGA    E   220_A      E   220_A    27.863     0    0.067   1.182    29.097    0.000    0.000
LGA    A   221_A      A   221_A    26.921     0    0.626   0.622    26.998    0.000    0.000
LGA    S   222_A      S   222_A    26.925     0    0.513   0.762    29.469    0.000    0.000
LGA    L   223_A      L   223_A    26.451     0    0.584   1.352    28.303    0.000    0.000
LGA    L   224_A      L   224_A    25.679     0    0.596   1.186    26.903    0.000    0.000
LGA    V   225_A      V   225_A    24.350     0    0.612   1.344    26.188    0.000    0.000
LGA    S   226_A      S   226_A    24.313     0    0.535   1.022    25.786    0.000    0.000
LGA    N   227_A      N   227_A    22.030     0    0.525   0.820    22.985    0.000    0.000
LGA    L   228_A      L   228_A    19.963     0    0.618   1.286    23.253    0.000    0.000
LGA    E   229_A      E   229_A    18.876     0    0.608   1.252    24.145    0.000    0.000
LGA    Q   230_A      Q   230_A    17.410     0    0.499   0.680    19.856    0.000    0.000
LGA    E   231_A      E   231_A    21.259     0    0.358   0.986    24.529    0.000    0.000
LGA    R   232_A      R   232_A    23.760     0    0.625   1.459    27.215    0.000    0.000
LGA    K   233_A      K   233_A    29.244     0    0.628   0.872    31.260    0.000    0.000
LGA    I   234_A      I   234_A    31.855     0    0.659   1.586    35.832    0.000    0.000
LGA    N   235_A      N   235_A    35.737     0    0.609   0.753    37.223    0.000    0.000
LGA    L   236_A      L   236_A    38.821     0    0.611   1.531    42.089    0.000    0.000
LGA    K   237_A      K   237_A    42.685     0    0.537   1.170    46.251    0.000    0.000
LGA    Y   238_A      Y   238_A    48.060     0    0.720   1.440    49.606    0.000    0.000
LGA    E   239_A      E   239_A    50.038     0    0.486   0.929    52.016    0.000    0.000
LGA    K   240_A      K   240_A    56.286     0    0.165   0.821    57.684    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      239     956    956  100.00    1967   1967  100.00               239
SUMMARY(RMSD_GDC):    14.384         14.417                 14.911           32.286   27.813

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  251  239    4.0    108    2.45    36.715    30.604     4.237

LGA_LOCAL      RMSD:   2.449  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.007  Number of assigned atoms:  239 
Std_ASGN_ATOMS RMSD:  14.384  Standard rmsd on all 239 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.936589 * X  +   0.305826 * Y  +   0.171090 * Z  +  12.571334
  Y_new =  -0.027939 * X  +   0.421508 * Y  +  -0.906394 * Z  +   4.295703
  Z_new =  -0.349315 * X  +  -0.853699 * Y  +  -0.386235 * Z  +   0.192329 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.111771  0.356840 -1.995665   [DEG: -178.2914   20.4454 -114.3432 ]
ZXZ:  0.186564  1.967343 -2.753199   [DEG:   10.6893  112.7204 -157.7467 ]
 
# END of job
