
#######################################################
#                                                     #
#                        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  203 ( 1687),  selected  203 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  203 , 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:   160      48_A - 207_A       4.99    12.47
  LCS_AVERAGE:     68.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68     115_A - 182_A       1.90    12.23
  LCS_AVERAGE:     22.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59     115_A - 173_A       0.99    12.75
  LONGEST_CONTINUOUS_SEGMENT:    59     116_A - 174_A       0.96    12.70
  LCS_AVERAGE:     15.45

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  203
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     F     5_A     F     5_A      4    6   20      3    4    4    5    5    6    9   11   13   16   19   23   26   34   39   42   49   51   56   63 
LCS_GDT     T     6_A     T     6_A      4    6   20      3    4    4    5    5    6    7   12   15   16   20   22   34   39   43   66   74   84   94  105 
LCS_GDT     W     7_A     W     7_A      4    6   20      3    4    4    5    9   12   15   19   19   22   27   33   37   51   61   67   77   84   94  113 
LCS_GDT     G     8_A     G     8_A      4    6   29      3    4    4    6    9   12   15   19   19   22   27   33   42   45   61   68   79   85  104  113 
LCS_GDT     F     9_A     F     9_A      4    7   33      3    3    4    6    9   12   15   19   21   29   34   44   54   83   91   95  114  119  130  139 
LCS_GDT     G    10_A     G    10_A      4    7   33      3    3    5    7    9   15   20   24   32   35   44   54   64   83   97  113  125  135  141  154 
LCS_GDT     G    11_A     G    11_A      3    7   33      1    3    5    7   10   15   19   20   25   28   31   36   45   54   67   76   82   94  103  119 
LCS_GDT     S    12_A     S    12_A      3   20   33      2    3    6   14   17   17   21   23   25   28   31   33   38   40   47   55   63   70   78   84 
LCS_GDT     S    13_A     S    13_A     16   20   33      3   11   16   17   18   19   21   23   23   24   30   33   38   40   42   55   63   70   78   84 
LCS_GDT     K    14_A     K    14_A     16   20   33      4   11   16   17   18   19   21   23   23   26   30   33   38   40   42   46   48   54   78   84 
LCS_GDT     E    15_A     E    15_A     16   20   33      4   10   16   17   18   19   21   23   23   26   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     K    16_A     K    16_A     16   20   33      4   10   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     P    17_A     P    17_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     N    18_A     N    18_A     16   20   33      5   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   51   53   57 
LCS_GDT     Y    19_A     Y    19_A     16   20   33      5   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     D    20_A     D    20_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   51   53   57 
LCS_GDT     Y    21_A     Y    21_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     S    22_A     S    22_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   49   53   57 
LCS_GDT     A    23_A     A    23_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     D    24_A     D    24_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   45   52   52   56   60   67 
LCS_GDT     K    25_A     K    25_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     K    26_A     K    26_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   54   56   59 
LCS_GDT     L    27_A     L    27_A     16   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   45   52   52   56   62   86 
LCS_GDT     I    28_A     I    28_A     16   20   33      7   10   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   51   56   67 
LCS_GDT     E    29_A     E    29_A     14   20   33      7   11   16   17   18   19   21   23   25   28   31   33   38   40   42   46   48   51   55   63 
LCS_GDT     I    30_A     I    30_A     12   20   33      7    8   11   17   18   19   21   23   23   24   27   32   36   40   42   45   48   51   53   63 
LCS_GDT     N    31_A     N    31_A     11   20   54      4    8   10   12   15   19   20   23   23   24   25   29   36   38   42   46   57   62   63   86 
LCS_GDT     T    32_A     T    32_A      6   16   70      3    5    7    7    9   14   14   16   22   23   24   27   31   37   40   46   48   51   53   59 
LCS_GDT     R    33_A     R    33_A      6    8   83      4    5    7    8   10   14   14   23   23   25   32   40   51   58   63  109  124  127  134  140 
LCS_GDT     P    34_A     P    34_A      6    8  142      4    5   11   14   18   19   21   24   57   75  103  114  122  132  140  146  153  156  160  165 
LCS_GDT     I    35_A     I    35_A      6   50  145      4    5    7   11   33   52   71   90  102  110  119  126  137  142  149  155  160  165  168  169 
LCS_GDT     S    36_A     S    36_A     41   59  147      4   10   46   59   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     T    37_A     T    37_A     43   59  147     18   36   54   64   70   77   85   92   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D    38_A     D    38_A     43   59  147     18   36   40   44   52   65   79   88   93  104  113  122  132  141  149  155  160  165  168  169 
LCS_GDT     N    39_A     N    39_A     43   59  147     18   36   40   44   52   58   63   64   73   98  112  120  131  141  148  155  160  165  168  169 
LCS_GDT     A    40_A     A    40_A     43   59  147     19   36   40   44   52   58   63   88   91  104  113  122  132  141  149  155  160  165  168  169 
LCS_GDT     K    41_A     K    41_A     43   59  147     18   36   40   44   52   58   63   66   78   99  112  119  129  138  146  155  160  165  168  169 
LCS_GDT     Y    42_A     Y    42_A     43   59  147     19   36   40   44   52   58   63   64   68   76   99  106  115  131  143  148  155  164  168  169 
LCS_GDT     W    43_A     W    43_A     43   59  147     19   36   40   44   52   58   63   64   68   76   87  106  115  131  143  149  155  164  168  169 
LCS_GDT     C    44_A     C    44_A     43   59  147     19   36   40   44   52   58   63   64   68   88   99  113  125  135  143  152  159  165  168  169 
LCS_GDT     F    45_A     F    45_A     43   59  147     19   36   40   44   52   58   63   64   68   74   85   94  112  123  138  147  154  160  167  169 
LCS_GDT     D    46_A     D    46_A     43   59  147     19   36   40   44   52   58   63   64   68   74   83   90   98  106  121  139  150  159  162  169 
LCS_GDT     K    47_A     K    47_A     43   59  151     19   36   40   44   52   58   63   64   68   74   83   90   97  104  112  127  148  157  162  169 
LCS_GDT     G    48_A     G    48_A     43   59  160     19   36   40   44   52   58   63   64   68   74   83   90   98  104  125  140  152  159  164  169 
LCS_GDT     N    49_A     N    49_A     43   59  160     19   36   40   44   52   58   63   64   68   74   85   93  112  121  141  147  154  163  168  169 
LCS_GDT     D    50_A     D    50_A     43   59  160     19   36   40   44   52   58   63   64   68   88   99  119  129  138  146  155  160  165  168  169 
LCS_GDT     L    51_A     L    51_A     43   59  160     19   36   40   44   52   58   63   64   70   88  110  120  131  141  148  155  160  165  168  169 
LCS_GDT     G    52_A     G    52_A     43   59  160     19   36   40   44   52   58   63   64   73   98  112  120  131  141  149  155  160  165  168  169 
LCS_GDT     C    53_A     C    53_A     43   59  160     18   36   40   44   52   58   63   85   91  104  113  122  132  141  149  155  160  165  168  169 
LCS_GDT     L    54_A     L    54_A     43   59  160     19   36   40   44   52   74   82   92   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     S    55_A     S    55_A     43   59  160     19   36   40   44   52   75   85   92  103  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L    56_A     L    56_A     43   59  160     19   36   47   62   69   76   84   92   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E    57_A     E    57_A     43   59  160     19   36   40   62   71   77   85   92   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K    58_A     K    58_A     43   59  160     19   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L    59_A     L    59_A     43   59  160     19   48   59   65   71   77   85   96  105  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E    60_A     E    60_A     43   59  160     19   36   40   44   56   74   80   89   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     A    61_A     A    61_A     43   59  160     18   36   40   44   52   59   76   88   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L    62_A     L    62_A     43   59  160      8   36   40   44   52   58   63   64   99  109  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E    63_A     E    63_A     43   59  160      8   36   40   44   52   58   63   64   86   90  116  124  134  142  149  155  160  165  168  169 
LCS_GDT     S    64_A     S    64_A     43   59  160     15   36   40   44   52   58   63   64   68   77   87  110  126  137  148  155  160  165  168  169 
LCS_GDT     K    65_A     K    65_A     43   59  160      8   36   40   44   52   58   63   64   68   72   81   98  110  132  141  155  160  165  168  169 
LCS_GDT     D    66_A     D    66_A     43   59  160      7   36   40   44   52   58   63   64   68   74   86   94  110  132  141  155  160  165  168  169 
LCS_GDT     L    67_A     L    67_A     43   59  160      8   30   40   44   52   58   63   64   68   76   87   98  126  132  144  155  160  165  168  169 
LCS_GDT     K    68_A     K    68_A     43   59  160      8   34   40   44   52   58   63   64   69   79   95  113  126  134  147  155  160  165  168  169 
LCS_GDT     K    69_A     K    69_A     43   59  160      8   24   40   44   52   58   63   64   73   91  111  122  133  141  149  155  160  165  168  169 
LCS_GDT     V    70_A     V    70_A     43   59  160      8   36   40   44   52   58   63   84   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     V    71_A     V    71_A     43   59  160     11   36   40   44   52   58   63   64   82  105  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K    72_A     K    72_A     43   59  160      8   36   40   44   52   58   75   88   99  110  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     F    73_A     F    73_A     43   59  160     11   36   48   63   71   77   85   96  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y    74_A     Y    74_A     43   59  160      8   36   40   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E    75_A     E    75_A     43   59  160      8   36   40   42   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K    76_A     K    76_A     43   59  160      4   35   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     T    77_A     T    77_A     43   59  160      4   17   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     I    78_A     I    78_A     43   59  160      4    7   51   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     P    79_A     P    79_A     43   59  160      4   22   40   64   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E    80_A     E    80_A     16   59  160      6   17   56   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y    81_A     Y    81_A     16   59  160      8   17   33   64   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     C    82_A     C    82_A     16   59  160      8   17   33   44   62   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y    83_A     Y    83_A     16   59  160      6   17   33   44   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D    84_A     D    84_A     16   59  160      8   17   26   62   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K    85_A     K    85_A     16   59  160      8   17   26   33   66   77   85   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K    86_A     K    86_A     16   59  160      6   17   26   33   47   76   85   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     F    87_A     F    87_A     16   59  160      8   17   26   33   47   58   82   96  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     A    88_A     A    88_A     16   59  160      7   17   26   33   47   58   70   88  101  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     P    89_A     P    89_A     16   59  160      4   17   26   35   49   58   63   87   99  109  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     A    90_A     A    90_A     14   59  160      4   17   33   44   52   58   77   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     C    91_A     C    91_A     14   59  160      3   17   33   44   52   58   84   97  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     N    92_A     N    92_A     14   59  160      3   15   33   44   52   58   63   78   99  110  119  129  137  142  149  155  160  165  168  169 
LCS_GDT     I    93_A     I    93_A     14   59  160      6   17   31   48   61   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     P    94_A     P    94_A      6   59  160      5   11   14   35   52   58   73   89  105  111  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     A    95_A     A    95_A      6   59  160      5   23   39   51   64   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     I    96_A     I    96_A      6   29  160      5    5    8   38   64   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D    97_A     D    97_A     12   29  160      5    5   12   16   21   42   56   88  105  111  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     L    98_A     L    98_A     12   18  160      5   11   21   36   49   58   73   89  105  111  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     I    99_A     I    99_A     12   18  160      9   19   39   48   58   74   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Q   100_A     Q   100_A     12   18  160      9   17   39   48   64   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Q   101_A     Q   101_A     12   18  160      8   16   35   48   58   75   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   102_A     K   102_A     12   18  160      9   19   39   48   58   74   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   103_A     L   103_A     12   18  160      9   19   39   48   64   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     S   104_A     S   104_A     12   18  160      9   21   39   48   64   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   105_A     Y   105_A     12   18  160      9   17   39   48   58   75   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   106_A     Y   106_A     12   18  160      9   19   39   48   64   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     V   107_A     V   107_A     12   18  160      9   29   40   60   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     R   108_A     R   108_A     12   18  160      5   13   36   48   62   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     N   109_A     N   109_A     12   18  160      3   10   30   46   58   75   86   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   110_A     D   110_A      4   18  160      3    4    5   45   56   75   85   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     I   111_A     I   111_A      4    5  160      3    3    5    9   35   45   56   77   93  105  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   112_A     D   112_A      4    5  160      3    3    5    8   10   36   56   63   75   87   99  115  129  142  149  155  160  165  168  169 
LCS_GDT     N   113_A     N   113_A      3    5  160      3    4   24   30   39   46   56   64   79   99  111  120  134  142  149  155  160  165  168  169 
LCS_GDT     K   114_A     K   114_A      3   65  160      3    4    4    4    5    7   39   44   78  104  116  130  136  142  149  155  160  165  168  169 
LCS_GDT     T   115_A     T   115_A     59   68  160      5   18   47   62   70   77   86   97  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     I   116_A     I   116_A     59   68  160      5   35   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   117_A     K   117_A     59   68  160      5    5    9   15   64   77   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     T   118_A     T   118_A     59   68  160     10   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     F   119_A     F   119_A     59   68  160     27   51   59   65   71   77   87   96  105  111  119  130  136  142  148  155  160  165  168  169 
LCS_GDT     Y   120_A     Y   120_A     59   68  160     15   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     S   121_A     S   121_A     59   68  160     25   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   122_A     D   122_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   123_A     Y   123_A     59   68  160     15   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     A   124_A     A   124_A     59   68  160     15   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   125_A     K   125_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     A   126_A     A   126_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   127_A     L   127_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     S   128_A     S   128_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E   129_A     E   129_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     S   130_A     S   130_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   131_A     K   131_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     A   132_A     A   132_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   133_A     D   133_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     V   134_A     V   134_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   135_A     K   135_A     59   68  160     26   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     M   136_A     M   136_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   137_A     L   137_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E   138_A     E   138_A     59   68  160     19   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   139_A     Y   139_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     G   140_A     G   140_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     C   141_A     C   141_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     N   142_A     N   142_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E   143_A     E   143_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   144_A     L   144_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   145_A     K   145_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     S   146_A     S   146_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     A   147_A     A   147_A     59   68  160     19   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   148_A     Y   148_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     I   149_A     I   149_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     C   150_A     C   150_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     R   151_A     R   151_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   152_A     D   152_A     59   68  160     16   41   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   153_A     L   153_A     59   68  160     19   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     R   154_A     R   154_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   155_A     D   155_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     M   156_A     M   156_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   157_A     Y   157_A     59   68  160     22   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   158_A     K   158_A     59   68  160     27   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   159_A     Y   159_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   160_A     L   160_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     G   161_A     G   161_A     59   68  160     23   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   162_A     D   162_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   163_A     K   163_A     59   68  160     22   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E   164_A     E   164_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   165_A     K   165_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     T   166_A     T   166_A     59   68  160     23   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   167_A     K   167_A     59   68  160     22   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     E   168_A     E   168_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   169_A     Y   169_A     59   68  160     18   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     N   170_A     N   170_A     59   68  160     20   51   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     D   171_A     D   171_A     59   68  160     18   49   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   172_A     K   172_A     59   68  160     14   38   59   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     M   173_A     M   173_A     59   68  160     12   28   57   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   174_A     K   174_A     59   68  160     14   29   57   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     N   175_A     N   175_A     58   68  160      7   21   30   53   66   77   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     G   176_A     G   176_A     16   68  160      6    6    6   13   19   41   71   87   97  110  119  126  137  142  149  155  160  165  168  169 
LCS_GDT     D   177_A     D   177_A     16   68  160      6   16   27   39   56   73   87   96  105  111  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     E   178_A     E   178_A     15   68  160      8   19   39   48   64   76   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   179_A     K   179_A      6   68  160      6    6   17   45   64   74   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     W   180_A     W   180_A      6   68  160      6    7   18   36   45   66   78   96  105  111  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     N   181_A     N   181_A      6   68  160      8   19   39   48   61   75   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     S   182_A     S   182_A      5   68  160      5    5   11   31   51   70   86   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     V   183_A     V   183_A      5   37  160      5    5    5   12   32   56   70   88  101  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   184_A     L   184_A      5   31  160      5    6   14   21   35   48   73   89  105  111  118  126  136  142  146  150  157  165  166  169 
LCS_GDT     Y   185_A     Y   185_A      5    6  160      5    5    6    7   11   15   34   60   83  100  117  126  131  142  146  152  160  165  168  169 
LCS_GDT     D   186_A     D   186_A      5    6  160      5    5    6   17   35   40   54   81   99  109  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   187_A     Y   187_A      4    6  160      4    4    4   11   19   31   59   77   97  110  119  129  137  142  149  155  160  165  168  169 
LCS_GDT     K   188_A     K   188_A      4    5  160      4    4    6    8   13   20   46   54   69   90  104  116  129  142  149  155  160  165  168  169 
LCS_GDT     H   189_A     H   189_A      4    5  160      4    9   20   30   39   45   53   65   90  106  117  129  137  142  149  155  160  165  168  169 
LCS_GDT     M   190_A     M   190_A      4    5  160      4    4   18   21   33   58   74   86   99  109  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     R   191_A     R   191_A      4    5  160     10   33   57   65   71   78   87   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     Y   192_A     Y   192_A      4    7  160      4    4    5    8   17   22   33   41   71  100  117  126  136  142  149  155  160  165  168  169 
LCS_GDT     I   193_A     I   193_A      4    7  160      4    4    5    6   20   36   75   88  105  111  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     H   194_A     H   194_A      4    7  160      4    4    6    8   20   27   65   74   95  111  119  127  136  142  149  155  160  165  168  169 
LCS_GDT     G   195_A     G   195_A      4   13  160      4    4    7   11   17   27   33   41   83  101  118  126  132  142  148  155  160  165  168  169 
LCS_GDT     G   196_A     G   196_A      4   13  160      3    4   15   36   41   52   73   88  105  111  119  126  136  142  148  155  160  165  168  169 
LCS_GDT     Y   197_A     Y   197_A     11   13  160      4   11   11   11   16   41   50   76   89  104  115  124  131  142  146  150  160  165  168  169 
LCS_GDT     S   198_A     S   198_A     11   13  160      5   11   11   36   41   52   73   92  105  111  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     S   199_A     S   199_A     11   13  160      4   25   30   42   52   60   75   92  105  111  119  129  137  142  149  155  160  165  168  169 
LCS_GDT     W   200_A     W   200_A     11   13  160      4   19   34   48   58   69   86   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     W   201_A     W   201_A     11   13  160      3   11   11   45   58   69   86   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   202_A     L   202_A     11   13  160      8   21   35   48   58   70   86   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     L   203_A     L   203_A     11   13  160      5   16   27   42   55   66   83   95  104  110  119  129  137  142  149  155  160  165  168  169 
LCS_GDT     E   204_A     E   204_A     11   13  160      5   11   17   32   53   68   82   96  105  110  119  130  137  142  149  155  160  165  168  169 
LCS_GDT     K   205_A     K   205_A     11   13  160      5   13   28   44   55   69   86   99  105  111  120  130  137  142  149  155  160  165  168  169 
LCS_GDT     I   206_A     I   206_A     11   13  160      4   16   25   33   49   62   82   92  102  110  119  126  137  140  149  155  160  165  168  169 
LCS_GDT     K   207_A     K   207_A     11   13  160      5   11   15   27   36   46   63   80   95  105  115  125  130  137  144  153  160  165  168  169 
LCS_AVERAGE  LCS_A:  35.32  (  15.45   22.27   68.24 )

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     27     51     59     65     71     78     87     99    105    111    120    130    137    142    149    155    160    165    168    169 
GDT PERCENT_AT  13.04  24.64  28.50  31.40  34.30  37.68  42.03  47.83  50.72  53.62  57.97  62.80  66.18  68.60  71.98  74.88  77.29  79.71  81.16  81.64
GDT RMS_LOCAL    0.37   0.59   0.77   0.99   1.19   1.72   2.07   2.46   2.60   2.91   3.25   3.53   3.77   3.92   4.32   4.52   4.74   4.96   5.14   5.17
GDT RMS_ALL_AT  13.05  12.89  12.83  12.72  12.73  12.43  12.26  12.18  12.17  12.14  12.41  12.32  12.24  12.24  12.36  12.39  12.46  12.50  12.57  12.56

# Checking swapping
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    21_A      Y    21_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  F    73_A      F    73_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  Y    81_A      Y    81_A
#   possible swapping detected:  F    87_A      F    87_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  F   119_A      F   119_A
#   possible swapping detected:  Y   123_A      Y   123_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  E   138_A      E   138_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   164_A      E   164_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  E   178_A      E   178_A
#   possible swapping detected:  D   186_A      D   186_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  E   204_A      E   204_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F     5_A      F     5_A    28.290     0    0.228   1.386    29.688    0.000    0.000
LGA    T     6_A      T     6_A    25.183     0    0.100   0.163    27.271    0.000    0.000
LGA    W     7_A      W     7_A    23.780     0    0.401   0.849    24.725    0.000    0.000
LGA    G     8_A      G     8_A    23.406     0    0.466   0.466    23.668    0.000    0.000
LGA    F     9_A      F     9_A    19.845     0    0.055   1.327    21.098    0.000    0.000
LGA    G    10_A      G    10_A    19.775     0    0.496   0.496    21.367    0.000    0.000
LGA    G    11_A      G    11_A    25.049     0    0.376   0.376    25.049    0.000    0.000
LGA    S    12_A      S    12_A    26.843     0    0.093   0.651    29.179    0.000    0.000
LGA    S    13_A      S    13_A    27.087     0    0.469   0.709    27.087    0.000    0.000
LGA    K    14_A      K    14_A    27.647     0    0.130   0.836    31.927    0.000    0.000
LGA    E    15_A      E    15_A    30.599     0    0.052   0.961    36.076    0.000    0.000
LGA    K    16_A      K    16_A    30.808     0    0.047   0.540    35.199    0.000    0.000
LGA    P    17_A      P    17_A    30.859     0    0.149   0.139    32.600    0.000    0.000
LGA    N    18_A      N    18_A    36.317     0    0.119   0.184    43.076    0.000    0.000
LGA    Y    19_A      Y    19_A    33.438     0    0.067   0.956    35.039    0.000    0.000
LGA    D    20_A      D    20_A    37.107     0    0.023   1.105    41.803    0.000    0.000
LGA    Y    21_A      Y    21_A    32.705     0    0.098   1.380    34.528    0.000    0.000
LGA    S    22_A      S    22_A    37.638     0    0.017   0.073    40.760    0.000    0.000
LGA    A    23_A      A    23_A    33.705     0    0.055   0.072    35.098    0.000    0.000
LGA    D    24_A      D    24_A    27.414     0    0.091   0.373    29.736    0.000    0.000
LGA    K    25_A      K    25_A    31.578     0    0.019   0.075    42.481    0.000    0.000
LGA    K    26_A      K    26_A    32.394     0    0.030   1.041    41.393    0.000    0.000
LGA    L    27_A      L    27_A    25.923     0    0.024   0.160    28.241    0.000    0.000
LGA    I    28_A      I    28_A    25.022     0    0.086   0.164    26.700    0.000    0.000
LGA    E    29_A      E    29_A    29.835     0    0.027   1.050    37.355    0.000    0.000
LGA    I    30_A      I    30_A    26.892     0    0.156   1.364    29.920    0.000    0.000
LGA    N    31_A      N    31_A    20.987     0    0.592   0.830    23.127    0.000    0.000
LGA    T    32_A      T    32_A    22.186     0    0.031   0.142    26.944    0.000    0.000
LGA    R    33_A      R    33_A    16.192     0    0.099   1.627    18.437    0.000    0.000
LGA    P    34_A      P    34_A     9.976     0    0.145   0.172    12.777    3.095    1.973
LGA    I    35_A      I    35_A     6.285     0    0.192   0.221    11.238   26.190   15.595
LGA    S    36_A      S    36_A     3.584     0    0.137   0.584     5.453   37.738   34.762
LGA    T    37_A      T    37_A     7.147     0    0.246   1.026     9.525    8.690    8.095
LGA    D    38_A      D    38_A    10.412     0    0.017   0.171    11.809    0.357    0.179
LGA    N    39_A      N    39_A    10.489     0    0.022   1.232    12.782    0.119    0.119
LGA    A    40_A      A    40_A     9.385     0    0.021   0.031    11.159    0.714    1.524
LGA    K    41_A      K    41_A    12.240     0    0.047   0.115    14.243    0.000    0.000
LGA    Y    42_A      Y    42_A    14.668     0    0.011   0.081    19.203    0.000    0.000
LGA    W    43_A      W    43_A    13.741     0    0.010   0.096    16.428    0.000    0.000
LGA    C    44_A      C    44_A    13.197     0    0.022   0.036    15.184    0.000    0.000
LGA    F    45_A      F    45_A    16.392     0    0.052   0.063    18.656    0.000    0.000
LGA    D    46_A      D    46_A    18.456     0    0.121   0.583    19.399    0.000    0.000
LGA    K    47_A      K    47_A    18.058     0    0.038   0.232    21.802    0.000    0.000
LGA    G    48_A      G    48_A    17.020     0    0.021   0.021    17.254    0.000    0.000
LGA    N    49_A      N    49_A    14.297     0    0.023   0.237    15.122    0.000    0.000
LGA    D    50_A      D    50_A    11.209     0    0.105   0.281    12.513    0.357    0.179
LGA    L    51_A      L    51_A     9.462     0    0.029   1.443    11.104    1.905    1.071
LGA    G    52_A      G    52_A     9.867     0    0.053   0.053     9.979    1.310    1.310
LGA    C    53_A      C    53_A     9.548     0    0.027   0.068    12.126    3.214    2.143
LGA    L    54_A      L    54_A     6.393     0    0.041   0.237     7.732   19.286   18.869
LGA    S    55_A      S    55_A     5.435     0    0.010   0.070     6.126   25.238   22.540
LGA    L    56_A      L    56_A     7.152     0    0.048   0.133    10.588   12.500    7.143
LGA    E    57_A      E    57_A     6.549     0    0.012   1.100     6.796   17.381   19.206
LGA    K    58_A      K    58_A     3.474     0    0.030   0.715     5.125   41.905   48.148
LGA    L    59_A      L    59_A     4.558     0    0.037   0.129     6.177   26.786   32.381
LGA    E    60_A      E    60_A     7.957     0    0.066   0.192    10.927    7.619    3.862
LGA    A    61_A      A    61_A     7.290     0    0.040   0.039     8.592    8.214   10.000
LGA    L    62_A      L    62_A     6.893     0    0.029   0.077     9.016    8.214   16.845
LGA    E    63_A      E    63_A     9.131     0    0.030   0.663    11.410    1.548    0.952
LGA    S    64_A      S    64_A    11.701     0    0.029   0.046    13.431    0.000    0.000
LGA    K    65_A      K    65_A    12.158     0    0.041   0.692    13.852    0.000    0.000
LGA    D    66_A      D    66_A    12.867     0    0.072   0.097    13.976    0.000    0.000
LGA    L    67_A      L    67_A    11.566     0    0.062   0.065    12.615    0.000    0.000
LGA    K    68_A      K    68_A    11.613     0    0.052   0.688    16.522    0.119    0.053
LGA    K    69_A      K    69_A     9.777     0    0.069   0.136    14.773    3.095    1.376
LGA    V    70_A      V    70_A     6.686     0    0.032   0.043     7.910   15.952   15.510
LGA    V    71_A      V    71_A     7.263     0    0.046   0.089     9.443   13.690    8.844
LGA    K    72_A      K    72_A     7.222     0    0.038   1.015    14.916   16.905    7.831
LGA    F    73_A      F    73_A     4.670     0    0.008   0.082     5.590   38.214   40.736
LGA    Y    74_A      Y    74_A     2.273     0    0.082   0.225     3.749   63.095   62.738
LGA    E    75_A      E    75_A     3.051     0    0.118   0.510     5.716   57.381   45.132
LGA    K    76_A      K    76_A     2.551     0    0.066   0.971     5.331   60.952   53.545
LGA    T    77_A      T    77_A     2.524     0    0.032   0.157     3.258   62.976   57.415
LGA    I    78_A      I    78_A     2.649     0    0.029   0.708     4.847   57.143   51.250
LGA    P    79_A      P    79_A     2.617     0    0.112   0.270     2.690   62.857   60.408
LGA    E    80_A      E    80_A     2.358     0    0.034   0.862     2.909   60.952   64.868
LGA    Y    81_A      Y    81_A     2.853     0    0.121   0.311     6.489   57.262   40.714
LGA    C    82_A      C    82_A     2.755     0    0.077   0.790     4.234   57.143   55.079
LGA    Y    83_A      Y    83_A     2.357     0    0.042   0.308     2.867   60.952   66.270
LGA    D    84_A      D    84_A     2.601     0    0.046   0.236     3.129   55.476   58.214
LGA    K    85_A      K    85_A     3.770     0    0.015   0.690     8.399   43.452   29.259
LGA    K    86_A      K    86_A     3.918     0    0.035   0.614     4.459   40.238   41.323
LGA    F    87_A      F    87_A     4.550     0    0.024   0.125     6.626   34.286   27.273
LGA    A    88_A      A    88_A     5.153     0    0.046   0.057     5.917   27.500   26.286
LGA    P    89_A      P    89_A     5.494     0    0.110   0.109     6.551   30.238   24.694
LGA    A    90_A      A    90_A     4.071     0    0.035   0.041     4.606   40.476   39.810
LGA    C    91_A      C    91_A     4.228     0    0.086   0.160     4.939   34.286   33.333
LGA    N    92_A      N    92_A     6.196     0    0.083   1.176     8.037   21.667   17.262
LGA    I    93_A      I    93_A     2.606     0    0.605   0.641     4.216   46.905   56.369
LGA    P    94_A      P    94_A     5.829     0    0.592   0.833     8.493   31.786   21.973
LGA    A    95_A      A    95_A     2.116     0    0.023   0.054     2.913   71.190   69.905
LGA    I    96_A      I    96_A     2.881     0    0.040   0.223     7.152   54.167   37.679
LGA    D    97_A      D    97_A     6.186     0    0.077   0.704    10.020   21.786   13.274
LGA    L    98_A      L    98_A     5.801     0    0.171   0.834     7.474   22.738   20.179
LGA    I    99_A      I    99_A     3.119     0    0.073   0.213     3.640   53.810   53.690
LGA    Q   100_A      Q   100_A     2.250     0    0.012   0.893     4.423   62.857   56.720
LGA    Q   101_A      Q   101_A     3.300     0    0.049   0.920     4.247   50.000   43.545
LGA    K   102_A      K   102_A     3.540     0    0.043   0.527     7.649   48.333   33.333
LGA    L   103_A      L   103_A     2.212     0    0.041   1.033     4.417   66.905   63.452
LGA    S   104_A      S   104_A     1.964     0    0.026   0.628     2.767   70.833   67.540
LGA    Y   105_A      Y   105_A     2.970     0    0.038   0.184     4.927   57.143   42.937
LGA    Y   106_A      Y   106_A     2.453     0    0.032   0.457     5.780   66.905   46.825
LGA    V   107_A      V   107_A     0.492     0    0.127   0.111     2.070   88.333   80.612
LGA    R   108_A      R   108_A     2.557     0    0.131   1.365     9.528   57.976   36.667
LGA    N   109_A      N   109_A     4.022     0    0.111   1.032     5.585   35.000   38.929
LGA    D   110_A      D   110_A     4.192     0    0.106   0.686     5.870   30.833   43.393
LGA    I   111_A      I   111_A     8.274     0    0.044   0.258     9.989    5.000    4.940
LGA    D   112_A      D   112_A    12.047     0    0.514   1.042    15.398    0.000    0.000
LGA    N   113_A      N   113_A    10.872     0    0.258   0.306    16.920    1.071    0.536
LGA    K   114_A      K   114_A     8.790     0    0.589   1.286    13.759    4.762    2.116
LGA    T   115_A      T   115_A     4.090     0    0.602   1.392     4.836   42.143   47.551
LGA    I   116_A      I   116_A     3.045     0    0.100   1.242     4.034   48.333   47.560
LGA    K   117_A      K   117_A     3.718     0    0.031   0.599     7.686   46.667   31.958
LGA    T   118_A      T   118_A     3.096     0    0.179   1.042     4.800   50.000   47.415
LGA    F   119_A      F   119_A     3.970     0    0.021   0.180     6.430   43.333   30.909
LGA    Y   120_A      Y   120_A     3.018     0    0.006   0.345     4.028   53.571   50.794
LGA    S   121_A      S   121_A     2.266     0    0.056   0.117     2.626   62.857   63.492
LGA    D   122_A      D   122_A     3.505     0    0.029   0.067     4.864   48.333   42.024
LGA    Y   123_A      Y   123_A     3.331     0    0.022   0.380     3.740   53.571   48.413
LGA    A   124_A      A   124_A     1.974     0    0.011   0.020     2.492   70.833   71.238
LGA    K   125_A      K   125_A     2.395     0    0.045   0.733     6.163   60.952   45.979
LGA    A   126_A      A   126_A     3.147     0    0.015   0.026     3.373   55.357   54.286
LGA    L   127_A      L   127_A     2.385     0    0.022   0.163     2.677   64.881   67.857
LGA    S   128_A      S   128_A     1.862     0    0.041   0.077     2.193   66.786   67.460
LGA    E   129_A      E   129_A     2.837     0    0.085   0.175     3.950   55.357   50.159
LGA    S   130_A      S   130_A     2.828     0    0.026   0.045     3.050   59.048   57.222
LGA    K   131_A      K   131_A     2.500     0    0.024   0.217     4.262   60.952   53.598
LGA    A   132_A      A   132_A     2.085     0    0.055   0.065     2.300   68.810   68.000
LGA    D   133_A      D   133_A     1.591     0    0.005   0.037     2.684   77.143   71.012
LGA    V   134_A      V   134_A     1.156     0    0.048   0.043     1.482   83.690   82.721
LGA    K   135_A      K   135_A     1.177     0    0.027   0.948     4.000   85.952   77.566
LGA    M   136_A      M   136_A     0.803     0    0.046   0.724     3.241   90.476   79.881
LGA    L   137_A      L   137_A     0.795     0    0.029   0.137     1.195   88.214   87.083
LGA    E   138_A      E   138_A     0.955     0    0.036   0.215     2.224   85.952   79.683
LGA    Y   139_A      Y   139_A     0.876     0    0.015   0.135     1.575   88.214   85.238
LGA    G   140_A      G   140_A     1.136     0    0.018   0.018     1.544   81.548   81.548
LGA    C   141_A      C   141_A     1.479     0    0.043   0.064     1.921   77.143   78.571
LGA    N   142_A      N   142_A     1.782     0    0.065   0.093     2.589   66.905   73.095
LGA    E   143_A      E   143_A     1.994     0    0.038   0.741     2.549   68.810   66.614
LGA    L   144_A      L   144_A     2.215     0    0.020   0.062     2.541   64.881   64.821
LGA    K   145_A      K   145_A     2.235     0    0.029   0.133     2.546   62.857   63.069
LGA    S   146_A      S   146_A     2.147     0    0.021   0.081     2.310   66.786   66.111
LGA    A   147_A      A   147_A     2.698     0    0.043   0.057     3.288   60.952   58.762
LGA    Y   148_A      Y   148_A     2.372     0    0.098   0.464     2.924   68.810   61.032
LGA    I   149_A      I   149_A     1.619     0    0.020   0.616     1.950   77.143   77.143
LGA    C   150_A      C   150_A     1.365     0    0.028   0.118     1.516   81.429   80.000
LGA    R   151_A      R   151_A     1.251     0    0.061   0.117     2.240   81.429   74.545
LGA    D   152_A      D   152_A     1.545     0    0.011   0.275     2.764   77.143   72.024
LGA    L   153_A      L   153_A     1.150     0    0.028   1.312     2.455   85.952   80.655
LGA    R   154_A      R   154_A     0.785     0    0.017   0.517     1.314   90.476   88.874
LGA    D   155_A      D   155_A     0.833     0    0.017   0.134     1.684   90.476   86.012
LGA    M   156_A      M   156_A     0.710     0    0.032   0.114     0.825   90.476   92.857
LGA    Y   157_A      Y   157_A     0.561     0    0.040   0.080     0.805   90.476   91.270
LGA    K   158_A      K   158_A     0.880     0    0.028   0.139     1.281   90.476   87.460
LGA    Y   159_A      Y   159_A     1.243     0    0.094   0.113     3.039   81.429   69.167
LGA    L   160_A      L   160_A     1.011     0    0.012   0.079     1.233   81.429   84.821
LGA    G   161_A      G   161_A     0.830     0    0.059   0.059     0.866   90.476   90.476
LGA    D   162_A      D   162_A     0.618     0    0.022   0.039     1.029   92.857   90.536
LGA    K   163_A      K   163_A     0.447     0    0.047   0.626     2.019  100.000   96.085
LGA    E   164_A      E   164_A     0.781     0    0.040   0.613     2.015   90.476   85.608
LGA    K   165_A      K   165_A     0.909     0    0.040   0.620     1.898   90.476   85.556
LGA    T   166_A      T   166_A     0.563     0    0.027   0.107     0.833   90.476   93.197
LGA    K   167_A      K   167_A     0.796     0    0.036   0.785     2.739   88.214   82.751
LGA    E   168_A      E   168_A     1.005     0    0.024   0.171     1.440   85.952   84.444
LGA    Y   169_A      Y   169_A     0.878     0    0.043   0.169     0.932   90.476   90.476
LGA    N   170_A      N   170_A     0.934     0    0.017   1.062     2.371   85.952   80.655
LGA    D   171_A      D   171_A     1.420     0    0.023   0.072     2.308   79.286   73.036
LGA    K   172_A      K   172_A     1.464     0    0.023   0.088     1.659   77.143   77.619
LGA    M   173_A      M   173_A     1.467     0    0.056   0.133     2.092   75.119   79.405
LGA    K   174_A      K   174_A     2.174     0    0.071   0.331     2.837   62.976   67.566
LGA    N   175_A      N   175_A     3.233     0    0.343   1.130     3.941   48.452   52.024
LGA    G   176_A      G   176_A     6.027     0    0.414   0.414     6.027   25.238   25.238
LGA    D   177_A      D   177_A     4.454     0    0.026   0.167     5.138   34.405   35.119
LGA    E   178_A      E   178_A     2.877     0    0.020   1.321     6.045   55.357   43.810
LGA    K   179_A      K   179_A     3.378     0    0.094   0.789     4.839   45.119   40.794
LGA    W   180_A      W   180_A     4.895     0    0.226   0.440    10.488   37.262   14.966
LGA    N   181_A      N   181_A     3.241     0    0.521   0.906     3.785   59.881   54.107
LGA    S   182_A      S   182_A     3.948     0    0.612   0.756     6.573   41.786   35.317
LGA    V   183_A      V   183_A     5.710     0    0.127   1.113    10.055   26.310   16.735
LGA    L   184_A      L   184_A     6.856     0    0.059   0.757    12.473   13.810    7.262
LGA    Y   185_A      Y   185_A     7.633     0    0.338   1.532    10.577    9.762    4.444
LGA    D   186_A      D   186_A     6.472     0    0.613   1.344    10.927   19.405   11.429
LGA    Y   187_A      Y   187_A     6.775     0    0.189   0.859     9.442   11.667    6.429
LGA    K   188_A      K   188_A     9.247     0    0.194   0.233    15.288    2.976    1.323
LGA    H   189_A      H   189_A     8.055     0    0.558   0.712     9.138   10.000    5.619
LGA    M   190_A      M   190_A     5.723     0    0.072   1.042    13.291   40.119   21.131
LGA    R   191_A      R   191_A     1.966     0    0.167   1.219    13.646   57.619   29.697
LGA    Y   192_A      Y   192_A     6.837     0    0.603   0.630    19.403   20.238    6.984
LGA    I   193_A      I   193_A     5.324     0    0.082   0.293     5.956   23.810   29.821
LGA    H   194_A      H   194_A     6.290     0    0.034   1.138     7.128   15.476   16.095
LGA    G   195_A      G   195_A     7.234     0    0.513   0.513     7.651   10.119   10.119
LGA    G   196_A      G   196_A     7.348     0    0.024   0.024     8.707    8.333    8.333
LGA    Y   197_A      Y   197_A     8.295     0    0.616   0.441    12.747    5.952    2.262
LGA    S   198_A      S   198_A     6.325     0    0.072   0.512     6.920   20.833   21.111
LGA    S   199_A      S   199_A     5.999     0    0.035   0.183     8.404   22.738   17.619
LGA    W   200_A      W   200_A     4.277     0    0.077   0.411     6.201   35.714   30.680
LGA    W   201_A      W   201_A     3.845     0    0.076   1.411     5.754   41.786   37.925
LGA    L   202_A      L   202_A     4.275     0    0.039   0.238     6.125   34.286   30.417
LGA    L   203_A      L   203_A     5.173     0    0.050   0.138     7.277   26.310   21.964
LGA    E   204_A      E   204_A     4.597     0    0.022   0.986     5.136   31.548   34.021
LGA    K   205_A      K   205_A     4.180     0    0.045   0.993     4.951   34.286   40.159
LGA    I   206_A      I   206_A     6.451     0    0.533   0.631     8.983   19.286   12.143
LGA    K   207_A      K   207_A     8.000     0    0.074   1.016    10.578    3.333   23.704

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      203     812    812  100.00    1687   1687  100.00               207
SUMMARY(RMSD_GDC):    11.560         11.473                 11.914           36.515   34.031

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  203  207    4.0     99    2.46    44.686    39.418     3.861

LGA_LOCAL      RMSD:   2.464  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.182  Number of assigned atoms:  203 
Std_ASGN_ATOMS RMSD:  11.560  Standard rmsd on all 203 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.182768 * X  +  -0.961801 * Y  +  -0.203799 * Z  + -27.399200
  Y_new =  -0.976486 * X  +   0.201691 * Y  +  -0.076134 * Z  +  -7.047980
  Z_new =   0.114330 * X  +   0.185092 * Y  +  -0.976048 * Z  +  -1.511521 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.755825 -0.114581  2.954184   [DEG: -100.6014   -6.5650  169.2623 ]
ZXZ: -1.213277  2.922283  0.553328   [DEG:  -69.5157  167.4345   31.7033 ]
 
# END of job
