
#######################################################
#                                                     #
#                        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:    68     154_A - 221_A       4.89    16.57
  LONGEST_CONTINUOUS_SEGMENT:    68     155_A - 222_A       4.99    16.58
  LCS_AVERAGE:     20.07

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     155_A - 177_A       1.87    17.90
  LCS_AVERAGE:      5.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      14_A - 30_A        0.74    21.60
  LCS_AVERAGE:      3.25

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    5   43      2    3    4    4    8   26   42   62   90   99  108  120  131  139  151  155  159  162  164  168 
LCS_GDT     S     3_A     S     3_A      3    5   43      2    3    4   18   43   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     T     4_A     T     4_A      3    8   43      3    3   13   25   41   57   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E     5_A     E     5_A      4    8   43      3    5    7   12   22   31   48   64   72   95  107  117  130  141  151  155  160  162  164  168 
LCS_GDT     N     6_A     N     6_A      4    8   43      3    4   10   20   33   57   70   84   99  106  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     K     7_A     K     7_A      6    8   43      3    8   21   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N     8_A     N     8_A      6    8   43      3    5    9   20   44   62   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F     9_A     F     9_A      6    8   43      3    5   24   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     V    10_A     V    10_A      6   18   43      3    5   10   22   36   49   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I    11_A     I    11_A      6   20   43      4    9   24   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     S    12_A     S    12_A      6   20   43      3    6   17   33   48   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I    13_A     I    13_A      4   20   43      3    4   16   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     S    14_A     S    14_A     17   20   43      5   15   22   29   42   49   65   78   89  102  112  123  131  140  151  155  160  162  164  168 
LCS_GDT     T    15_A     T    15_A     17   20   43      5   15   21   30   45   57   70   82   95  105  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     A    16_A     A    16_A     17   20   43      4   15   19   38   50   62   73   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E    17_A     E    17_A     17   20   43      5   15   27   42   51   62   73   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Q    18_A     Q    18_A     17   20   43      5   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     R    19_A     R    19_A     17   20   43      8   15   23   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     R    20_A     R    20_A     17   20   43      8   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N    21_A     N    21_A     17   20   43      8   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     H    22_A     H    22_A     17   20   43      8   15   24   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I    23_A     I    23_A     17   20   43      8   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I    24_A     I    24_A     17   20   43      8   15   19   31   44   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E    25_A     E    25_A     17   20   43      8   15   19   33   48   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Q    26_A     Q    26_A     17   20   43      8   15   21   40   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F    27_A     F    27_A     17   20   43      8   15   19   33   45   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     T    28_A     T    28_A     17   20   43      8   15   19   26   40   55   70   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     H    29_A     H    29_A     17   20   43      8   15   19   26   36   50   70   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Q    30_A     Q    30_A     17   20   43      8   15   19   26   36   50   66   84   98  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N    31_A     N    31_A      4   20   43      3    3   11   21   36   48   67   88   97  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I    32_A     I    32_A      7   19   43      3    5    7   11   23   35   53   81   95  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     P    33_A     P    33_A      7   12   43      4    6   10   20   34   49   70   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F    34_A     F    34_A      7   12   43      4    6   10   24   41   57   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E    35_A     E    35_A      7   12   43      4    6   10   25   41   57   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F    36_A     F    36_A      7   12   43      4    6   10   24   41   57   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F    37_A     F    37_A      7   12   43      4    6   16   29   45   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     D    38_A     D    38_A      7   12   43      3    6   15   22   37   55   69   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A    39_A     A    39_A      7   12   43      3    5   16   30   43   62   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F    40_A     F    40_A      7   12   43      3    5    9   19   34   51   60   75   89  105  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     T    41_A     T    41_A      7   14   43      3    6   15   27   42   55   69   86   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     P    42_A     P    42_A     11   16   43      4    9   11   15   20   27   43   57   70   82   99  116  130  139  151  155  159  162  164  168 
LCS_GDT     S    43_A     S    43_A     11   16   43      8    9   11   14   17   25   34   45   60   78   93  103  121  137  149  155  159  162  164  168 
LCS_GDT     D    44_A     D    44_A     11   16   43      8    9   11   14   16   17   20   27   39   47   64   80   95  110  117  130  138  152  160  164 
LCS_GDT     K    45_A     K    45_A     11   16   25      8    9   11   14   16   17   20   22   24   29   46   49   59   68   81   89  112  125  136  157 
LCS_GDT     L    46_A     L    46_A     11   16   25      8    9   11   14   16   17   20   22   29   33   40   52   73   91   99  110  125  139  150  157 
LCS_GDT     T    47_A     T    47_A     11   16   25      8    9   11   14   16   17   20   24   29   33   40   47   58   64   95  104  118  127  139  146 
LCS_GDT     D    48_A     D    48_A     11   16   25      8    9   11   14   16   17   20   22   24   29   34   39   47   48   50   67   72   79   86   99 
LCS_GDT     H    49_A     H    49_A     11   16   25      8    9   11   14   16   17   20   22   24   29   29   30   31   34   37   46   51   64   86   89 
LCS_GDT     L    50_A     L    50_A     11   16   25      8    9   11   14   16   17   20   22   24   29   29   30   31   46   50   59   62   68   79   84 
LCS_GDT     Q    51_A     Q    51_A     11   16   25      4    9   11   13   16   17   20   22   24   29   29   30   31   34   37   44   46   53   59   63 
LCS_GDT     R    52_A     R    52_A     11   16   25      4    4   11   14   16   17   20   22   24   29   29   30   31   34   37   40   45   53   55   60 
LCS_GDT     Y    53_A     Y    53_A      5   16   25      4    4    9   14   16   17   20   22   24   29   29   30   31   34   37   40   45   53   55   60 
LCS_GDT     L    54_A     L    54_A      5   16   25      3    4    6   11   15   17   20   22   24   29   29   30   31   34   37   45   52   56   59   63 
LCS_GDT     P    55_A     P    55_A      4   16   25      3    4    4    4    6   11   17   22   23   25   26   29   31   38   38   45   51   55   58   60 
LCS_GDT     N    56_A     N    56_A      4   16   25      3    4    9   14   16   17   20   22   24   29   29   30   31   38   38   45   51   55   58   64 
LCS_GDT     V    57_A     V    57_A      3   16   25      3    3    9   14   16   17   20   22   24   29   29   30   31   38   43   49   69   74   97  103 
LCS_GDT     A    58_A     A    58_A      3    5   25      3    3    4    4   11   16   19   22   24   29   30   39   44   63   69   78   85  109  128  137 
LCS_GDT     N    59_A     N    59_A      4    5   25      3    4    4    6    8   13   16   21   24   29   29   30   42   48   58   68   78   88   99  106 
LCS_GDT     A    60_A     A    60_A      4    5   25      3    4    4    8    9   12   15   18   26   29   34   40   49   63   71  107  114  122  135  147 
LCS_GDT     A    61_A     A    61_A      4    5   25      3    4    4    8    8   12   15   18   24   29   42   60   70   84   98  116  127  137  149  160 
LCS_GDT     Q    62_A     Q    62_A      4   11   25      3    4    4    5    7   12   15   19   26   38   48   60   73   87  105  120  132  145  156  162 
LCS_GDT     L    63_A     L    63_A     10   11   26      4    8    9   10   11   11   13   19   32   50   59   74   90  106  115  132  139  152  158  164 
LCS_GDT     T    64_A     T    64_A     10   11   48      6    8    9   10   11   11   15   34   48   65   86   99  113  130  139  147  153  162  164  168 
LCS_GDT     M    65_A     M    65_A     10   11   53      6    8    9   10   11   25   36   54   70   98  113  120  132  143  151  155  160  162  164  168 
LCS_GDT     G    66_A     G    66_A     10   11   53      6    8    9   10   11   12   15   16   19   25   31   38   54   79  102  125  147  154  161  166 
LCS_GDT     E    67_A     E    67_A     10   11   53      6    8    9   10   11   11   12   13   15   18   41   59   84  115  123  142  151  158  162  168 
LCS_GDT     K    68_A     K    68_A     10   11   53      6    8    9   11   20   29   45   63   84  101  113  121  132  143  151  155  160  162  164  168 
LCS_GDT     G    69_A     G    69_A     10   11   53      6    8   10   14   15   16   20   26   37   60   85  104  115  134  146  152  160  162  164  168 
LCS_GDT     C    70_A     C    70_A     10   11   53      6    8    9   10   11   11   12   15   16   19   21   22   37   58   84  116  129  154  160  163 
LCS_GDT     L    71_A     L    71_A     10   15   53      3    5    8   10   11   13   18   32   56   82  100  115  129  138  151  155  160  162  164  168 
LCS_GDT     M    72_A     M    72_A     13   15   56      7   11   16   25   35   50   67   80   90  101  114  123  132  143  151  155  160  162  164  168 
LCS_GDT     S    73_A     S    73_A     13   15   56      9   11   12   14   28   40   55   76   86   99  113  123  132  143  151  155  160  162  164  168 
LCS_GDT     H    74_A     H    74_A     13   15   56      9   11   12   14   29   46   62   76   90  101  114  123  132  143  151  155  160  162  164  168 
LCS_GDT     F    75_A     F    75_A     13   15   56      9   11   12   20   38   50   67   80   93  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     M    76_A     M    76_A     13   15   56      9   11   12   25   35   49   67   80   90  101  114  123  132  143  151  155  160  162  164  168 
LCS_GDT     L    77_A     L    77_A     13   15   56      9   11   12   14   25   34   54   72   83   98  113  123  131  141  151  155  160  162  164  168 
LCS_GDT     W    78_A     W    78_A     13   15   56      9   11   12   14   18   40   60   76   83   98  113  123  132  143  151  155  160  162  164  168 
LCS_GDT     K    79_A     K    79_A     13   15   56      9   11   12   22   38   50   67   80   90  104  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     K    80_A     K    80_A     13   15   56      9   11   12   14   29   47   67   76   90   98  114  123  132  143  151  155  160  162  164  168 
LCS_GDT     C    81_A     C    81_A     13   15   56      9   11   12   14   16   23   32   56   79   89  103  119  129  138  149  155  160  162  164  168 
LCS_GDT     I    82_A     I    82_A     13   15   56      4   11   12   14   22   35   51   69   80   91  106  120  131  143  151  155  160  162  164  168 
LCS_GDT     D    83_A     D    83_A     13   15   56      4   11   22   29   42   53   70   80   98  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E    84_A     E    84_A     13   16   56      3    9   22   32   43   60   70   82   98  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N    85_A     N    85_A      7   16   56      3   10   22   29   42   52   70   80   90  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L    86_A     L    86_A      7   16   56      4   15   22   38   49   62   73   86   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     D    87_A     D    87_A      7   16   56      6   15   22   38   51   63   73   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Y    88_A     Y    88_A      9   16   56      6   11   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I    89_A     I    89_A      9   17   56      5   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     T    90_A     T    90_A      9   17   56      4   15   23   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L    91_A     L    91_A      9   17   56      4   11   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F    92_A     F    92_A      9   17   56      4   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E    93_A     E    93_A      9   17   56      4   12   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     D    94_A     D    94_A      9   17   56      4   12   26   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     D    95_A     D    95_A      9   17   56      5   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I    96_A     I    96_A      9   17   56      5   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L    97_A     L    97_A      9   17   56      5   12   18   37   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L    98_A     L    98_A      9   17   56      5   12   16   27   44   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     G    99_A     G    99_A      9   17   56      5   12   16   26   40   62   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E   100_A     E   100_A      9   17   56      4   12   16   22   34   46   67   80   94  102  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N   101_A     N   101_A      9   17   56      3   12   16   26   36   56   70   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A   102_A     A   102_A      9   17   56      3    7   16   25   36   50   67   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N   103_A     N   103_A      7   17   56      3    7   13   22   36   50   69   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     K   104_A     K   104_A      7   17   56      3    7   13   23   32   50   68   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F   105_A     F   105_A      7   17   56      4   12   19   26   36   50   74   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L   106_A     L   106_A      7   14   56      3    6    8   10   23   43   63   88   97  106  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A   107_A     A   107_A      7   11   56      3    5    8   10   11   21   29   50   63   74   86  101  114  134  144  153  160  162  164  168 
LCS_GDT     E   108_A     E   108_A      6   11   56      3    5    8   10   12   20   25   31   48   62   86  101  114  126  139  152  160  162  164  168 
LCS_GDT     G   109_A     G   109_A      5   11   56      4    9   14   21   30   47   56   68   82   97  111  121  132  142  151  155  160  162  164  168 
LCS_GDT     D   110_A     D   110_A      5    6   56      4    8   15   25   37   57   70   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     W   111_A     W   111_A      5    6   56      4    5   11   24   38   55   74   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L   112_A     L   112_A      5    6   56      4    5    6    9   15   28   42   64   90  105  113  122  132  143  151  155  160  162  164  168 
LCS_GDT     K   113_A     K   113_A      5    6   56      3    5   10   20   35   50   70   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     V   114_A     V   114_A      4    5   56      3    4    6   12   21   32   50   67   81  101  111  121  131  140  151  155  160  162  164  168 
LCS_GDT     R   115_A     R   115_A      4    5   56      3    4    6   15   17   26   39   56   72   93  111  121  131  138  149  155  160  162  164  168 
LCS_GDT     F   116_A     F   116_A      4    5   56      3    4    5   13   27   43   56   71   90  103  115  122  132  143  151  155  160  162  164  168 
LCS_GDT     N   117_A     N   117_A      5    9   56      7   14   19   26   35   44   56   67   79   95  107  121  132  140  147  154  160  162  164  168 
LCS_GDT     F   118_A     F   118_A      5    9   56      3    5    5    9   21   29   38   45   59   79   92  105  117  128  139  146  155  159  164  168 
LCS_GDT     Q   119_A     Q   119_A      5    9   56      3    5    5    7   10   17   27   34   49   74   86  103  123  132  141  150  156  162  164  168 
LCS_GDT     E   120_A     E   120_A      6    9   56      3    5    5   11   22   37   60   78   87  103  114  123  132  143  151  155  160  162  164  168 
LCS_GDT     I   121_A     I   121_A      6    9   56      5    6    6    8   10   14   21   51   69   86  101  117  132  143  151  155  160  162  164  168 
LCS_GDT     F   122_A     F   122_A      6    9   56      5    6    6    8   11   15   40   51   74   86  105  118  132  143  151  155  160  162  164  168 
LCS_GDT     V   123_A     V   123_A      6    9   56      5    6    8   11   15   29   41   51   74   93  107  121  132  143  151  155  160  162  164  168 
LCS_GDT     L   124_A     L   124_A      6    9   56      5    6    9   13   16   22   40   57   74   87  107  121  132  143  151  155  160  162  164  168 
LCS_GDT     R   125_A     R   125_A      6    9   56      5    6   12   16   20   28   43   60   68   82  102  118  132  142  151  155  160  162  164  168 
LCS_GDT     L   126_A     L   126_A      6    8   56      3    6    6   11   18   28   36   46   62   82  106  121  132  143  151  155  160  162  164  168 
LCS_GDT     E   127_A     E   127_A      5    8   56      3    4    5   11   18   28   36   50   65   82  105  121  132  143  151  155  160  162  164  168 
LCS_GDT     T   128_A     T   128_A      5    8   43      3    4    5    6   14   22   30   51   71   86  105  121  132  140  150  154  160  162  164  168 
LCS_GDT     F   129_A     F   129_A      5    7   42      3    4    5    6    8    8    9   12   22   34   36   42   78  100  107  119  137  150  153  162 
LCS_GDT     L   130_A     L   130_A      5    7   42      3    4    5    6    8   10   12   15   35   44   54   82  105  117  123  134  144  151  159  161 
LCS_GDT     M   131_A     M   131_A      5   10   16      3    4    6    7    8   10   12   13   15   24   36   46   57  100  107  119  126  136  143  149 
LCS_GDT     P   132_A     P   132_A      5   10   16      3    4    6    7    8   10   12   20   22   34   37   56   82  100  107  119  123  132  143  146 
LCS_GDT     V   133_A     V   133_A      5   10   15      3    4    5    7    9   10   12   24   29   44   67   80   87  100  108  119  133  139  144  151 
LCS_GDT     Q   134_A     Q   134_A      5   10   15      3    4    6    7    8   10   12   18   32   57   85   99  113  128  137  147  149  154  158  163 
LCS_GDT     L   135_A     L   135_A      5   10   15      3    4    6    7    8   13   18   20   27   32   37   42   56   68   91   97  106  114  123  139 
LCS_GDT     E   136_A     E   136_A      6   10   15      3    5    6    7    8   10   11   16   17   22   27   31   55   61   81   89   99  109  118  127 
LCS_GDT     K   137_A     K   137_A      6   10   19      3    5    6    7    8   10   12   13   15   16   19   22   23   28   40   43   51   61   73   86 
LCS_GDT     Q   138_A     Q   138_A      6   10   19      3    5    6    7    8   10   12   13   15   16   19   22   25   28   31   36   43   49   56   60 
LCS_GDT     T   139_A     T   139_A      6   10   19      3    5    6    7    8   10   12   13   15   18   19   22   25   27   31   36   42   45   50   55 
LCS_GDT     Q   140_A     Q   140_A      6   10   19      3    5    6    7    8   10   12   13   15   18   19   22   25   27   29   32   37   39   41   55 
LCS_GDT     I   141_A     I   141_A      6    8   19      3    4    6    6    8   10   12   15   17   18   19   22   25   27   29   32   37   39   41   44 
LCS_GDT     P   142_A     P   142_A      5    8   19      3    4    5    6    8   10   11   14   17   18   19   22   25   27   29   32   37   39   41   44 
LCS_GDT     P   143_A     P   143_A      5    8   19      3    4    5    6    7   10   12   16   17   18   19   22   25   27   29   32   37   39   41   55 
LCS_GDT     F   144_A     F   144_A      5    8   19      3    4    5    6    8   11   13   16   17   18   19   22   25   27   29   32   37   39   41   44 
LCS_GDT     Q   145_A     Q   145_A      3    8   19      3    3    4    6    8   11   13   16   17   18   19   22   25   27   29   32   37   39   41   55 
LCS_GDT     Q   146_A     Q   146_A      3    8   19      3    3    4    6    9   11   13   16   17   18   19   22   25   27   30   33   37   40   44   47 
LCS_GDT     R   147_A     R   147_A      3    8   19      3    3    4    6    9   11   13   16   17   18   19   22   25   27   30   33   37   43   50   57 
LCS_GDT     D   148_A     D   148_A      3    8   19      3    3    4    6    9   11   13   16   17   18   19   22   25   27   33   36   43   50   58   64 
LCS_GDT     I   149_A     I   149_A      3    7   19      3    3    4    6    9   11   13   16   17   18   19   22   25   28   33   37   43   50   58   64 
LCS_GDT     D   150_A     D   150_A      3    7   19      1    3    4    6    9   11   13   16   17   18   19   22   25   28   33   40   46   51   65   72 
LCS_GDT     I   151_A     I   151_A      3    7   19      1    3    4    6    8   11   13   16   17   18   19   22   25   28   33   40   46   63   65   72 
LCS_GDT     L   152_A     L   152_A      3    7   28      1    3    4    6    9   11   13   16   17   19   24   33   51   58   63   79  114  121  130  135 
LCS_GDT     T   153_A     T   153_A      3    6   67      3    3    4    6    9   10   13   16   24   27   39   47   51   92  104  111  124  129  137  141 
LCS_GDT     S   154_A     S   154_A      3    6   68      3    3    4    5    9   18   23   33   70   88  101  112  121  130  139  145  155  158  162  167 
LCS_GDT     K   155_A     K   155_A      3   23   68      3    5   11   29   42   55   67   88   97  107  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     H   156_A     H   156_A      3   23   68      3    8   17   29   42   57   67   87   97  107  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     F   157_A     F   157_A      3   23   68      3    3    7   21   40   49   67   87   97  105  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     G   158_A     G   158_A      5   23   68      5   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     T   159_A     T   159_A      9   23   68      4   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A   160_A     A   160_A      9   23   68      3    8   19   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     G   161_A     G   161_A     14   23   68      4   11   22   29   44   59   74   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Y   162_A     Y   162_A     15   23   68      5   15   22   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     V   163_A     V   163_A     15   23   68      4   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I   164_A     I   164_A     15   23   68      6   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     S   165_A     S   165_A     15   23   68      6   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Q   166_A     Q   166_A     15   23   68      6   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     G   167_A     G   167_A     15   23   68      6   11   22   38   51   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A   168_A     A   168_A     15   23   68      7   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A   169_A     A   169_A     15   23   68      7   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     K   170_A     K   170_A     15   23   68      7   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Y   171_A     Y   171_A     15   23   68      7   15   22   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L   172_A     L   172_A     15   23   68      7   15   22   37   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I   173_A     I   173_A     15   23   68      7   14   22   41   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A   174_A     A   174_A     15   23   68      7   15   22   40   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L   175_A     L   175_A     15   23   68      4   10   20   28   41   61   75   88   99  107  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     F   176_A     F   176_A     15   23   68      5   15   22   30   49   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E   177_A     E   177_A     13   23   68      4    8   24   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     K   178_A     K   178_A      4    4   68      3    3    5    7   15   30   46   61   78   88  106  123  131  143  151  155  160  162  164  168 
LCS_GDT     L   179_A     L   179_A      4    4   68      3    3    4    4    4    6    7   15   18   29   38   62   94  106  129  140  150  157  161  167 
LCS_GDT     T   180_A     T   180_A      3    4   68      3    3    3    5    6    7    7    9   10   13   17   22   25   35   51   62  109  113  138  153 
LCS_GDT     T   181_A     T   181_A      3    5   68      3    3    3    5    6    7    7   10   16   22   42   64   94  116  132  144  152  158  163  168 
LCS_GDT     E   182_A     E   182_A      3    5   68      3    3    3    5    6    7   17   24   42   48   58   80   98  124  142  149  158  162  164  168 
LCS_GDT     E   183_A     E   183_A      3    5   68      3    3    4   10   17   28   43   57   74   91  109  123  131  143  151  155  160  162  164  168 
LCS_GDT     I   184_A     I   184_A      3   10   68      3    3    6   10   22   35   50   62   78   99  110  123  132  143  151  155  160  162  164  168 
LCS_GDT     K   185_A     K   185_A      3   10   68      0    3    5   16   24   39   50   62   79   99  110  123  132  143  151  155  160  162  164  168 
LCS_GDT     P   186_A     P   186_A      7   13   68      5    7   16   32   46   57   70   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I   187_A     I   187_A      7   13   68      5    9   17   33   50   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     D   188_A     D   188_A      7   13   68      5    7   16   34   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E   189_A     E   189_A      7   13   68      5    8   15   33   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I   190_A     I   190_A      7   13   68      5    9   18   34   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     M   191_A     M   191_A      7   13   68      4    7   14   27   45   62   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     F   192_A     F   192_A      7   13   68      3    6   10   26   45   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N   193_A     N   193_A      6   13   68      4    6    8   13   23   55   69   88   99  107  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     Q   194_A     Q   194_A      6   13   68      4    6    8   12   18   41   55   69   83  100  113  120  131  143  151  155  160  162  164  168 
LCS_GDT     Q   195_A     Q   195_A      6   13   68      4    6    8   12   25   45   60   78   94  101  114  123  131  143  151  155  160  162  164  168 
LCS_GDT     I   196_A     I   196_A      6   13   68      4    5   10   18   33   55   67   86   98  107  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     N   197_A     N   197_A      4   13   68      3    4    6   12   19   41   55   68   87  101  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     A   198_A     A   198_A      4   13   68      3    4   10   13   19   32   55   66   83   97  113  123  131  142  151  155  160  162  164  168 
LCS_GDT     T   199_A     T   199_A      4   16   68      3    6   17   31   51   63   75   88   99  107  115  123  131  143  151  155  160  162  164  168 
LCS_GDT     D   200_A     D   200_A      4   16   68      0    3   10   27   45   61   71   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Y   201_A     Y   201_A      7   16   68      3   12   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     R   202_A     R   202_A      7   16   68      5   12   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     V   203_A     V   203_A      7   16   68      3   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Y   204_A     Y   204_A      7   16   68      5   10   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Q   205_A     Q   205_A      7   16   68      5   10   24   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L   206_A     L   206_A      7   16   68      5   11   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     N   207_A     N   207_A      7   16   68      4   15   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     P   208_A     P   208_A      7   16   68      3   10   23   40   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     A   209_A     A   209_A      7   16   68      5   12   21   37   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     I   210_A     I   210_A      7   16   68      5   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     C   211_A     C   211_A      7   16   68      5   13   27   42   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     V   212_A     V   212_A      7   16   68      5   12   19   34   52   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Q   213_A     Q   213_A      7   16   68      5   12   18   34   50   63   75   88   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E   214_A     E   214_A      7   16   68      3    5   15   29   43   57   70   86   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     L   215_A     L   215_A      7   16   68      3   11   16   26   38   54   69   86   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     Q   216_A     Q   216_A      3   11   68      3    3    3    9   14   36   43   58   76   96  109  121  132  143  151  155  160  162  164  168 
LCS_GDT     L   217_A     L   217_A      4    5   68      3    3    7   12   13   16   20   32   52   74   96  110  125  137  146  152  160  162  164  168 
LCS_GDT     N   218_A     N   218_A      4    5   68      3    3    5   11   25   43   57   80   97  106  114  123  131  143  151  155  160  162  164  168 
LCS_GDT     Q   219_A     Q   219_A      4    5   68      3    3    4   18   37   52   71   84   99  107  115  123  132  143  151  155  160  162  164  168 
LCS_GDT     E   220_A     E   220_A      4    5   68      3    3    4    9   14   16   20   32   48   69   88  105  122  137  143  152  160  162  164  168 
LCS_GDT     A   221_A     A   221_A      3    5   68      3    3    5    5    5    6   15   20   36   60   74   87  101  120  131  142  149  158  161  166 
LCS_GDT     S   222_A     S   222_A      4    5   68      3    4    5    5    5    6    7   20   36   60   74   87  101  118  131  142  149  158  161  164 
LCS_GDT     L   223_A     L   223_A      4    5   39      3    4    5    5    5    6    7    8   10   22   61   69   94  112  123  134  146  153  157  162 
LCS_GDT     L   224_A     L   224_A      4    5   15      3    4    4    4    4    5    7    8    9   15   18   21   24   30   79   83   91  103  112  143 
LCS_GDT     V   225_A     V   225_A      4    5   15      3    4    4    4    4    9   14   16   19   28   37   57   72   80   88   96  102  110  128  134 
LCS_GDT     S   226_A     S   226_A      3    5   15      3    3    3    4    4    5    6   21   25   32   37   45   65   80   88   96  102  107  113  123 
LCS_GDT     N   227_A     N   227_A      3    4   15      3    3    6    9   11   12   14   17   22   26   28   33   44   68   73   82   86   89   93  112 
LCS_GDT     L   228_A     L   228_A      3    4   15      3    3    3    4    6   12   13   15   15   17   21   25   27   33   40   65   74   79   83   88 
LCS_GDT     E   229_A     E   229_A      3    4   15      3    3    4    5    5   10   12   13   15   20   26   31   33   40   42   45   74   79   83   88 
LCS_GDT     Q   230_A     Q   230_A      3    6   15      3    3    4    5    6   10   12   14   15   19   26   31   33   40   42   45   51   79   83   88 
LCS_GDT     E   231_A     E   231_A      5    6   15      4    4    5    6    7   10   12   14   15   19   26   31   33   40   42   45   51   55   71   74 
LCS_GDT     R   232_A     R   232_A      5    6   15      4    4    5    6    6    7   12   14   14   19   22   24   28   31   42   45   51   55   60   63 
LCS_GDT     K   233_A     K   233_A      5    6   15      4    4    5    6    6    7    8    9   10   13   16   21   28   31   33   44   51   55   60   63 
LCS_GDT     I   234_A     I   234_A      5    6   15      4    4    5    6    6    7    8    9   10   13   16   19   22   30   32   39   45   48   60   63 
LCS_GDT     N   235_A     N   235_A      5    6   15      3    3    5    6    6    6    8    9   10   12   16   19   22   24   26   28   33   39   45   50 
LCS_GDT     L   236_A     L   236_A      3    6   15      3    3    3    6    6    6    7    9    9   11   12   14   17   22   23   25   28   30   33   35 
LCS_GDT     K   237_A     K   237_A      3    5   15      3    3    4    4    4    9   12   13   15   15   15   15   16   16   17   20   22   23   30   33 
LCS_GDT     Y   238_A     Y   238_A      3    5   15      3    3    4    4    5    6   12   13   15   15   15   15   16   17   18   20   22   23   25   26 
LCS_GDT     E   239_A     E   239_A      3    5   15      0    3    4    4    4    5    6    8   10   10   12   13   16   17   18   19   19   20   21   23 
LCS_GDT     K   240_A     K   240_A      3    5   14      0    3    4    4    4    5    6    7    9   10   11   12   13   13   13   15   16   16   16   17 
LCS_AVERAGE  LCS_A:   9.60  (   3.25    5.47   20.07 )

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      9     15     27     42     52     63     75     88     99    107    115    123    132    143    151    155    160    162    164    168 
GDT PERCENT_AT   3.77   6.28  11.30  17.57  21.76  26.36  31.38  36.82  41.42  44.77  48.12  51.46  55.23  59.83  63.18  64.85  66.95  67.78  68.62  70.29
GDT RMS_LOCAL    0.32   0.60   1.15   1.47   1.73   1.98   2.33   2.70   2.92   3.14   3.36   3.61   4.11   4.29   4.50   4.64   4.85   4.92   5.00   5.22
GDT RMS_ALL_AT  22.56  20.80  17.44  17.22  17.15  17.20  17.04  17.13  17.06  17.10  17.16  17.22  17.33  17.11  17.11  17.08  17.13  17.11  17.12  17.04

# 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    34_A      F    34_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  D    95_A      D    95_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  F   118_A      F   118_A
#   possible swapping detected:  F   122_A      F   122_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:  D   150_A      D   150_A
#   possible swapping detected:  F   157_A      F   157_A
#   possible swapping detected:  Y   162_A      Y   162_A
#   possible swapping detected:  Y   171_A      Y   171_A
#   possible swapping detected:  E   177_A      E   177_A
#   possible swapping detected:  E   182_A      E   182_A
#   possible swapping detected:  E   183_A      E   183_A
#   possible swapping detected:  D   200_A      D   200_A
#   possible swapping detected:  Y   204_A      Y   204_A
#   possible swapping detected:  E   214_A      E   214_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     7.115     0    0.212   0.967     9.513   20.833   12.917
LGA    S     3_A      S     3_A     2.875     0    0.100   0.176     4.595   42.500   45.000
LGA    T     4_A      T     4_A     3.939     0    0.699   1.391     5.536   37.024   41.769
LGA    E     5_A      E     5_A     7.374     0    0.143   1.298    13.993   16.429    7.460
LGA    N     6_A      N     6_A     4.810     0    0.205   1.043     6.204   27.857   29.524
LGA    K     7_A      K     7_A     2.004     0    0.688   0.770     8.333   63.333   41.534
LGA    N     8_A      N     8_A     2.793     0    0.156   1.327     8.868   57.976   34.524
LGA    F     9_A      F     9_A     1.491     0    0.078   1.285     9.129   77.619   37.965
LGA    V    10_A      V    10_A     3.675     0    0.128   1.109     8.567   50.595   32.653
LGA    I    11_A      I    11_A     1.400     0    0.051   1.465     6.914   73.571   48.452
LGA    S    12_A      S    12_A     2.669     0    0.065   0.660     7.482   57.976   44.683
LGA    I    13_A      I    13_A     2.306     0    0.063   0.984     5.993   57.738   45.893
LGA    S    14_A      S    14_A     6.841     0    0.609   0.891     9.169   12.738    9.444
LGA    T    15_A      T    15_A     5.877     0    0.241   0.344     7.044   21.548   17.551
LGA    A    16_A      A    16_A     4.057     0    0.150   0.146     4.392   43.690   42.381
LGA    E    17_A      E    17_A     3.628     0    0.125   1.211     7.519   46.667   34.603
LGA    Q    18_A      Q    18_A     2.913     0    0.053   0.823     5.648   55.357   46.349
LGA    R    19_A      R    19_A     3.034     0    0.104   1.385    10.202   57.262   32.035
LGA    R    20_A      R    20_A     3.011     0    0.058   1.283     5.715   59.167   51.645
LGA    N    21_A      N    21_A     1.303     0    0.068   1.209     4.019   83.810   72.202
LGA    H    22_A      H    22_A     0.839     0    0.066   1.210     6.344   90.476   61.190
LGA    I    23_A      I    23_A     1.818     0    0.075   0.610     3.762   70.952   61.429
LGA    I    24_A      I    24_A     2.823     0    0.061   1.274     5.891   59.048   55.655
LGA    E    25_A      E    25_A     2.283     0    0.048   0.582     2.897   62.857   63.968
LGA    Q    26_A      Q    26_A     1.300     0    0.120   0.931     5.791   75.119   63.175
LGA    F    27_A      F    27_A     2.581     0    0.037   1.468     5.149   57.500   50.909
LGA    T    28_A      T    28_A     3.605     0    0.141   1.035     4.170   45.238   46.327
LGA    H    29_A      H    29_A     4.109     0    0.546   0.898     5.529   35.952   37.238
LGA    Q    30_A      Q    30_A     4.690     0    0.724   0.663     9.696   38.929   21.376
LGA    N    31_A      N    31_A     5.195     0    0.443   1.187    10.943   34.762   19.226
LGA    I    32_A      I    32_A     4.867     0    0.615   1.593    11.823   28.929   15.893
LGA    P    33_A      P    33_A     4.861     0    0.062   0.421     5.069   37.500   34.966
LGA    F    34_A      F    34_A     3.947     0    0.075   0.224     5.727   41.786   33.506
LGA    E    35_A      E    35_A     3.806     0    0.058   0.928     8.427   43.333   31.376
LGA    F    36_A      F    36_A     3.833     0    0.215   1.198     5.142   52.143   40.736
LGA    F    37_A      F    37_A     2.989     0    0.038   1.170     7.732   51.786   35.368
LGA    D    38_A      D    38_A     4.396     0    0.049   0.231     7.817   37.262   26.488
LGA    A    39_A      A    39_A     3.538     0    0.077   0.103     4.033   43.452   43.429
LGA    F    40_A      F    40_A     6.651     0    0.039   0.387    14.020   19.524    7.229
LGA    T    41_A      T    41_A     4.817     0    0.503   0.532     6.776   21.071   36.735
LGA    P    42_A      P    42_A    10.886     0    0.196   0.360    12.796    1.071    0.680
LGA    S    43_A      S    43_A    12.641     0    0.055   0.057    16.105    0.000    0.000
LGA    D    44_A      D    44_A    17.995     0    0.090   1.170    20.749    0.000    0.000
LGA    K    45_A      K    45_A    20.668     0    0.047   1.704    22.124    0.000    0.000
LGA    L    46_A      L    46_A    18.829     0    0.112   1.136    21.641    0.000    0.000
LGA    T    47_A      T    47_A    21.628     0    0.051   1.385    25.274    0.000    0.000
LGA    D    48_A      D    48_A    26.000     0    0.147   0.917    28.931    0.000    0.000
LGA    H    49_A      H    49_A    26.908     0    0.054   0.168    28.672    0.000    0.000
LGA    L    50_A      L    50_A    26.088     0    0.233   0.743    28.796    0.000    0.000
LGA    Q    51_A      Q    51_A    30.864     0    0.095   1.285    33.187    0.000    0.000
LGA    R    52_A      R    52_A    33.157     0    0.100   1.243    39.319    0.000    0.000
LGA    Y    53_A      Y    53_A    30.573     0    0.643   0.597    31.664    0.000    0.000
LGA    L    54_A      L    54_A    30.170     0    0.031   0.252    31.078    0.000    0.000
LGA    P    55_A      P    55_A    30.444     0    0.547   0.551    31.975    0.000    0.000
LGA    N    56_A      N    56_A    29.535     0    0.635   0.818    29.834    0.000    0.000
LGA    V    57_A      V    57_A    25.563     0    0.613   0.612    26.967    0.000    0.000
LGA    A    58_A      A    58_A    21.795     0    0.626   0.616    22.913    0.000    0.000
LGA    N    59_A      N    59_A    24.162     0    0.584   1.201    26.858    0.000    0.000
LGA    A    60_A      A    60_A    21.537     0    0.182   0.222    22.198    0.000    0.000
LGA    A    61_A      A    61_A    21.595     0    0.184   0.178    21.991    0.000    0.000
LGA    Q    62_A      Q    62_A    20.434     0    0.585   0.954    21.254    0.000    0.000
LGA    L    63_A      L    63_A    18.119     0    0.370   0.528    23.244    0.000    0.000
LGA    T    64_A      T    64_A    13.520     0    0.128   1.013    16.953    0.000    0.000
LGA    M    65_A      M    65_A     8.121     0    0.041   1.352     9.833    4.286    4.107
LGA    G    66_A      G    66_A    11.319     0    0.072   0.072    11.419    0.119    0.119
LGA    E    67_A      E    67_A    12.181     0    0.077   1.120    18.127    0.000    0.000
LGA    K    68_A      K    68_A     8.026     0    0.081   1.140    11.600    6.548    4.497
LGA    G    69_A      G    69_A     8.477     0    0.046   0.046    10.383    4.048    4.048
LGA    C    70_A      C    70_A    11.614     0    0.032   0.190    15.102    0.119    0.079
LGA    L    71_A      L    71_A     7.942     0    0.591   1.508    10.731    4.643    6.131
LGA    M    72_A      M    72_A     6.748     0    0.613   1.065    10.645   15.357    9.524
LGA    S    73_A      S    73_A     6.995     0    0.082   0.143     7.255   12.500   11.667
LGA    H    74_A      H    74_A     6.817     0    0.053   0.224     8.848   13.333    9.905
LGA    F    75_A      F    75_A     6.021     0    0.049   0.550     7.022   17.143   18.139
LGA    M    76_A      M    76_A     6.821     0    0.031   1.077     7.262   12.619   18.810
LGA    L    77_A      L    77_A     7.932     0    0.115   0.348    10.043    7.262    5.179
LGA    W    78_A      W    78_A     7.533     0    0.044   1.228     7.533    9.286   31.429
LGA    K    79_A      K    79_A     6.457     0    0.035   0.736     7.456   14.286   15.132
LGA    K    80_A      K    80_A     7.538     0    0.040   0.796    10.937    7.857    4.603
LGA    C    81_A      C    81_A     9.139     0    0.057   0.105    10.706    2.619    1.825
LGA    I    82_A      I    82_A     7.997     0    0.545   0.510     9.477    6.667    5.357
LGA    D    83_A      D    83_A     5.636     0    0.151   0.318     6.276   20.357   23.274
LGA    E    84_A      E    84_A     5.620     0    0.396   0.991     6.426   21.429   22.011
LGA    N    85_A      N    85_A     5.911     0    0.389   1.285    10.190   16.786   11.071
LGA    L    86_A      L    86_A     4.196     0    0.048   0.965     4.303   38.690   39.464
LGA    D    87_A      D    87_A     3.662     0    0.033   0.743     6.106   46.667   38.274
LGA    Y    88_A      Y    88_A     2.562     0    0.043   1.508     5.146   57.262   60.992
LGA    I    89_A      I    89_A     1.917     0    0.094   1.287     3.762   72.857   65.179
LGA    T    90_A      T    90_A     2.165     0    0.250   0.978     3.882   64.762   62.993
LGA    L    91_A      L    91_A     2.101     0    0.059   1.259     7.213   66.786   49.643
LGA    F    92_A      F    92_A     1.601     0    0.040   1.110     6.160   72.857   56.320
LGA    E    93_A      E    93_A     1.718     0    0.052   1.079     3.779   70.833   64.392
LGA    D    94_A      D    94_A     2.058     0    0.182   0.664     2.647   72.976   70.952
LGA    D    95_A      D    95_A     1.438     0    0.281   0.923     4.500   77.143   65.417
LGA    I    96_A      I    96_A     1.358     0    0.110   1.260     4.463   75.119   66.667
LGA    L    97_A      L    97_A     2.200     0    0.056   0.903     5.740   68.810   54.286
LGA    L    98_A      L    98_A     2.755     0    0.054   1.405     3.886   51.905   51.964
LGA    G    99_A      G    99_A     3.259     0    0.170   0.170     4.803   43.929   43.929
LGA    E   100_A      E   100_A     5.289     0    0.083   0.834     8.386   30.238   20.370
LGA    N   101_A      N   101_A     3.977     0    0.268   1.157     6.039   43.452   36.488
LGA    A   102_A      A   102_A     4.015     0    0.071   0.084     5.073   40.238   37.429
LGA    N   103_A      N   103_A     4.478     0    0.119   0.845     6.848   35.714   30.655
LGA    K   104_A      K   104_A     4.454     0    0.073   0.768     9.008   35.714   22.328
LGA    F   105_A      F   105_A     4.017     0    0.119   0.195     7.591   37.143   26.840
LGA    L   106_A      L   106_A     5.409     0    0.053   1.447     9.673   20.119   14.583
LGA    A   107_A      A   107_A     9.371     0    0.111   0.126    11.513    2.143    1.810
LGA    E   108_A      E   108_A    10.436     0    0.578   1.185    11.432    0.833    0.423
LGA    G   109_A      G   109_A     7.114     0    0.373   0.373     8.182   12.262   12.262
LGA    D   110_A      D   110_A     4.365     0    0.094   0.445     5.311   39.167   36.071
LGA    W   111_A      W   111_A     4.191     0    0.157   1.685    11.207   35.714   16.122
LGA    L   112_A      L   112_A     6.109     0    0.595   0.825    10.698   28.333   14.881
LGA    K   113_A      K   113_A     4.730     0    0.056   0.959     6.764   27.619   25.026
LGA    V   114_A      V   114_A     8.563     0    0.633   0.526    11.307    5.595    3.197
LGA    R   115_A      R   115_A     9.206     0    0.633   1.324    21.261    2.976    1.082
LGA    F   116_A      F   116_A     7.108     0    0.157   1.113    11.945    7.976    4.199
LGA    N   117_A      N   117_A     9.508     0    0.609   1.126    11.861    3.214    1.607
LGA    F   118_A      F   118_A    10.521     0    0.266   0.325    16.044    0.119    0.043
LGA    Q   119_A      Q   119_A     9.590     0    0.155   1.201    13.988    1.786    0.847
LGA    E   120_A      E   120_A     5.594     0    0.638   1.369     6.647   18.333   24.286
LGA    I   121_A      I   121_A     7.504     0    0.395   0.866     9.973    9.405    5.774
LGA    F   122_A      F   122_A     7.371     0    0.063   1.354     7.589   10.000   15.281
LGA    V   123_A      V   123_A     7.230     0    0.034   0.071     7.531    9.286   10.068
LGA    L   124_A      L   124_A     7.334     0    0.200   1.168     8.711    9.286    7.381
LGA    R   125_A      R   125_A     7.658     0    0.060   0.951    15.396    8.571    3.550
LGA    L   126_A      L   126_A     7.590     0    0.665   1.451    12.668    7.857    4.286
LGA    E   127_A      E   127_A     7.794     0    0.041   0.178    12.698    5.119    2.487
LGA    T   128_A      T   128_A     8.812     0    0.124   0.938    11.100    2.500    5.714
LGA    F   129_A      F   129_A    14.411     0    0.049   1.145    20.368    0.000    0.000
LGA    L   130_A      L   130_A    13.841     0    0.189   0.223    17.511    0.000    0.238
LGA    M   131_A      M   131_A    18.325     0    0.577   0.911    21.808    0.000    0.000
LGA    P   132_A      P   132_A    18.910     0    0.710   0.669    19.828    0.000    0.000
LGA    V   133_A      V   133_A    17.712     0    0.065   0.123    22.094    0.000    0.000
LGA    Q   134_A      Q   134_A    13.139     0    0.166   1.387    16.687    0.000    0.476
LGA    L   135_A      L   135_A    17.223     0    0.093   0.945    19.880    0.000    0.000
LGA    E   136_A      E   136_A    18.998     0    0.163   1.078    22.646    0.000    0.000
LGA    K   137_A      K   137_A    25.633     0    0.083   0.250    28.329    0.000    0.000
LGA    Q   138_A      Q   138_A    30.771     0    0.291   1.280    34.633    0.000    0.000
LGA    T   139_A      T   139_A    37.097     0    0.058   1.098    40.569    0.000    0.000
LGA    Q   140_A      Q   140_A    38.248     0    0.579   0.964    39.320    0.000    0.000
LGA    I   141_A      I   141_A    39.847     0    0.274   1.523    43.354    0.000    0.000
LGA    P   142_A      P   142_A    43.817     0    0.093   0.403    45.536    0.000    0.000
LGA    P   143_A      P   143_A    44.913     0    0.312   0.404    47.706    0.000    0.000
LGA    F   144_A      F   144_A    49.419     0    0.168   0.498    55.359    0.000    0.000
LGA    Q   145_A      Q   145_A    49.258     0    0.544   0.904    51.930    0.000    0.000
LGA    Q   146_A      Q   146_A    48.993     0    0.430   1.347    52.558    0.000    0.000
LGA    R   147_A      R   147_A    41.754     0    0.043   1.078    44.427    0.000    0.000
LGA    D   148_A      D   148_A    37.760     0    0.127   0.400    39.762    0.000    0.000
LGA    I   149_A      I   149_A    33.644     0    0.282   1.174    35.635    0.000    0.000
LGA    D   150_A      D   150_A    28.618     0    0.472   1.205    30.698    0.000    0.000
LGA    I   151_A      I   151_A    26.236     0    0.381   1.265    29.851    0.000    0.000
LGA    L   152_A      L   152_A    18.674     0    0.347   1.209    21.465    0.000    0.000
LGA    T   153_A      T   153_A    15.552     0    0.648   0.765    18.009    0.000    0.000
LGA    S   154_A      S   154_A     8.490     0    0.350   0.883    11.204    8.810    8.730
LGA    K   155_A      K   155_A     4.944     0    0.666   1.599     8.625   32.262   20.688
LGA    H   156_A      H   156_A     4.946     0    0.529   0.917     6.606   27.619   22.286
LGA    F   157_A      F   157_A     5.354     0    0.308   1.292    14.927   39.881   15.152
LGA    G   158_A      G   158_A     1.409     0    0.676   0.676     2.023   77.262   77.262
LGA    T   159_A      T   159_A     1.256     0    0.217   1.150     3.544   77.262   72.517
LGA    A   160_A      A   160_A     1.834     0    0.187   0.182     2.753   69.048   68.190
LGA    G   161_A      G   161_A     3.537     0    0.638   0.638     3.537   55.595   55.595
LGA    Y   162_A      Y   162_A     1.881     0    0.051   0.243     2.495   68.810   71.508
LGA    V   163_A      V   163_A     1.406     0    0.045   1.113     3.353   81.429   75.714
LGA    I   164_A      I   164_A     1.451     0    0.097   0.102     1.889   79.286   78.214
LGA    S   165_A      S   165_A     1.885     0    0.053   0.124     2.365   77.143   73.016
LGA    Q   166_A      Q   166_A     2.383     0    0.580   0.467     5.008   61.071   48.783
LGA    G   167_A      G   167_A     2.900     0    0.078   0.078     3.000   65.000   65.000
LGA    A   168_A      A   168_A     1.113     0    0.085   0.084     1.720   83.810   85.143
LGA    A   169_A      A   169_A     0.717     0    0.097   0.113     1.535   95.238   90.762
LGA    K   170_A      K   170_A     0.861     0    0.104   0.199     4.504   86.190   67.460
LGA    Y   171_A      Y   171_A     1.973     0    0.091   1.395    11.123   72.976   38.135
LGA    L   172_A      L   172_A     2.040     0    0.043   1.138     4.505   68.810   64.643
LGA    I   173_A      I   173_A     1.570     0    0.135   1.087     3.343   68.929   67.262
LGA    A   174_A      A   174_A     2.388     0    0.078   0.096     3.349   59.167   58.762
LGA    L   175_A      L   175_A     3.314     0    0.069   1.262     8.395   50.119   37.024
LGA    F   176_A      F   176_A     2.826     0    0.031   0.232     6.348   60.952   42.035
LGA    E   177_A      E   177_A     2.329     0    0.181   1.256     4.970   49.524   60.899
LGA    K   178_A      K   178_A     7.752     0    0.581   1.213     9.558    9.405    5.556
LGA    L   179_A      L   179_A    11.463     0    0.574   0.950    13.371    0.119    0.060
LGA    T   180_A      T   180_A    13.786     0    0.433   1.107    17.221    0.000    0.000
LGA    T   181_A      T   181_A    10.222     0    0.674   0.555    12.176    0.000    0.204
LGA    E   182_A      E   182_A    11.977     0    0.247   0.764    12.414    0.000    0.000
LGA    E   183_A      E   183_A     8.740     0    0.442   1.043    12.589    2.738    1.534
LGA    I   184_A      I   184_A     8.721     0    0.434   1.013    11.608    2.857    2.679
LGA    K   185_A      K   185_A     8.729     0    0.638   1.211    17.826    5.119    2.328
LGA    P   186_A      P   186_A     4.216     0    0.652   0.604     4.947   42.143   42.721
LGA    I   187_A      I   187_A     2.894     0    0.063   0.210     4.466   59.048   52.976
LGA    D   188_A      D   188_A     2.374     0    0.054   0.534     2.989   62.857   62.917
LGA    E   189_A      E   189_A     2.643     0    0.250   0.652     3.633   55.595   56.614
LGA    I   190_A      I   190_A     2.342     0    0.130   1.355     4.818   59.167   61.012
LGA    M   191_A      M   191_A     3.214     0    0.076   1.063     3.756   50.119   59.702
LGA    F   192_A      F   192_A     3.137     0    0.053   0.295     4.741   45.476   70.130
LGA    N   193_A      N   193_A     4.603     0    0.168   0.420     6.925   30.595   26.250
LGA    Q   194_A      Q   194_A     6.449     0    0.068   1.288    11.020   16.429   10.423
LGA    Q   195_A      Q   195_A     5.762     0    0.552   1.094     9.903   23.810   17.037
LGA    I   196_A      I   196_A     4.702     0    0.246   1.533     6.693   23.095   26.786
LGA    N   197_A      N   197_A     6.833     0    0.196   1.367     7.751   13.690   13.929
LGA    A   198_A      A   198_A     7.539     0    0.529   0.554     9.181   16.190   13.238
LGA    T   199_A      T   199_A     3.132     0    0.407   1.352     5.887   37.738   37.007
LGA    D   200_A      D   200_A     3.895     0    0.479   1.006     5.563   59.881   43.095
LGA    Y   201_A      Y   201_A     2.418     0    0.177   1.403    10.624   64.881   32.421
LGA    R   202_A      R   202_A     1.387     0    0.099   0.791     6.266   75.000   49.654
LGA    V   203_A      V   203_A     1.479     0    0.043   0.090     2.450   81.429   76.599
LGA    Y   204_A      Y   204_A     1.680     0    0.099   0.311     4.108   66.905   60.119
LGA    Q   205_A      Q   205_A     1.862     0    0.170   1.523     6.925   70.833   56.296
LGA    L   206_A      L   206_A     1.349     0    0.044   1.237     3.706   79.286   72.560
LGA    N   207_A      N   207_A     1.249     0    0.636   0.895     6.407   66.190   49.583
LGA    P   208_A      P   208_A     2.131     0    0.053   0.356     2.875   66.786   64.830
LGA    A   209_A      A   209_A     3.004     0    0.300   0.395     3.999   53.571   51.524
LGA    I   210_A      I   210_A     1.255     0    0.210   1.553     4.242   79.286   71.845
LGA    C   211_A      C   211_A     1.100     0    0.106   0.179     2.377   75.119   73.016
LGA    V   212_A      V   212_A     2.917     0    0.037   0.314     4.061   62.976   53.673
LGA    Q   213_A      Q   213_A     3.141     0    0.248   0.704     5.251   43.690   45.450
LGA    E   214_A      E   214_A     4.210     0    0.567   0.947     8.660   40.357   26.984
LGA    L   215_A      L   215_A     4.657     0    0.612   1.280    10.158   24.405   16.012
LGA    Q   216_A      Q   216_A     8.020     0    0.570   1.156     9.469    8.452    7.725
LGA    L   217_A      L   217_A     9.990     0    0.576   1.199    16.619    2.381    1.190
LGA    N   218_A      N   218_A     5.094     0    0.034   1.136     6.989   22.976   22.917
LGA    Q   219_A      Q   219_A     4.344     0    0.476   1.096     8.388   24.762   20.899
LGA    E   220_A      E   220_A    10.543     0    0.587   0.886    17.883    1.190    0.529
LGA    A   221_A      A   221_A    14.841     0    0.590   0.597    16.301    0.000    0.000
LGA    S   222_A      S   222_A    15.541     0    0.621   0.992    17.096    0.000    0.000
LGA    L   223_A      L   223_A    18.202     0    0.067   1.334    21.561    0.000    0.000
LGA    L   224_A      L   224_A    24.764     0    0.538   0.841    29.322    0.000    0.000
LGA    V   225_A      V   225_A    25.768     0    0.646   0.701    28.222    0.000    0.000
LGA    S   226_A      S   226_A    27.955     0    0.524   0.774    29.166    0.000    0.000
LGA    N   227_A      N   227_A    30.150     0    0.526   1.280    34.768    0.000    0.000
LGA    L   228_A      L   228_A    36.103     0    0.613   0.697    41.495    0.000    0.000
LGA    E   229_A      E   229_A    38.111     0    0.599   1.049    42.491    0.000    0.000
LGA    Q   230_A      Q   230_A    38.652     0    0.485   0.986    41.219    0.000    0.000
LGA    E   231_A      E   231_A    40.106     0    0.590   0.916    42.426    0.000    0.000
LGA    R   232_A      R   232_A    39.836     0    0.074   1.088    41.583    0.000    0.000
LGA    K   233_A      K   233_A    41.960     0    0.028   0.896    43.835    0.000    0.000
LGA    I   234_A      I   234_A    43.812     0    0.637   1.559    45.037    0.000    0.000
LGA    N   235_A      N   235_A    44.904     0    0.641   0.772    45.494    0.000    0.000
LGA    L   236_A      L   236_A    45.254     0    0.627   1.058    49.208    0.000    0.000
LGA    K   237_A      K   237_A    41.414     0    0.558   1.547    42.278    0.000    0.000
LGA    Y   238_A      Y   238_A    40.061     0    0.611   0.649    42.802    0.000    0.000
LGA    E   239_A      E   239_A    41.784     0    0.394   0.621    44.616    0.000    0.000
LGA    K   240_A      K   240_A    40.887     0    0.217   0.913    41.386    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):    16.078         16.102                 16.713           27.714   23.948

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  251  239    4.0     88    2.70    31.381    25.953     3.146

LGA_LOCAL      RMSD:   2.697  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.134  Number of assigned atoms:  239 
Std_ASGN_ATOMS RMSD:  16.078  Standard rmsd on all 239 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.209958 * X  +   0.936799 * Y  +   0.279865 * Z  + -32.956474
  Y_new =  -0.924380 * X  +   0.096953 * Y  +   0.368948 * Z  + -39.148888
  Z_new =   0.318496 * X  +  -0.336165 * Y  +   0.886314 * Z  + -48.875683 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.347452 -0.324143 -0.362521   [DEG:  -77.2033  -18.5720  -20.7709 ]
ZXZ:  2.492642  0.481472  2.383177   [DEG:  142.8179   27.5863  136.5460 ]
 
# END of job
