
#######################################################
#                                                     #
#                        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  243 ( 1952),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1756),  selected  222 , 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:   121     111_A - 231_A       4.99    11.03
  LCS_AVERAGE:     36.84

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31     147_A - 177_A       2.00    11.26
  LCS_AVERAGE:      6.89

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    12     146_A - 157_A       0.94    11.70
  LCS_AVERAGE:      3.06

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
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     G    22_A     G    22_A     10   12   16      3    7   10   10   11   13   16   17   20   22   23   24   27   36   40   44   47   53   58   68 
LCS_GDT     S    23_A     S    23_A     10   12   16      4    7   10   10   11   14   16   17   20   22   26   29   31   37   41   51   63   74   91  103 
LCS_GDT     F    24_A     F    24_A     10   12   16      3    7   10   10   11   14   16   17   20   22   23   25   28   33   40   48   59   77   98  109 
LCS_GDT     Q    25_A     Q    25_A     10   12   16      4    7   10   10   11   14   16   17   20   22   23   25   27   33   40   43   48   54   64   95 
LCS_GDT     Y    26_A     Y    26_A     10   12   16      4    7   10   10   11   14   16   17   20   22   23   25   42   50   61   76   88  103  115  128 
LCS_GDT     M    27_A     M    27_A     10   12   16      4    7   10   10   11   14   16   23   28   38   52   57   72   89  104  118  129  139  149  157 
LCS_GDT     K    28_A     K    28_A     10   12   16      3    7   10   10   11   14   16   17   32   40   48   55   66   76   88  113  123  139  147  154 
LCS_GDT     D    29_A     D    29_A     10   12   24      3    5   10   10   11   14   16   22   32   40   49   56   69   90  111  122  129  139  147  157 
LCS_GDT     L    30_A     L    30_A     10   12   24      4    7   10   10   13   18   33   35   49   59   76   84  109  118  129  145  151  153  159  161 
LCS_GDT     N    31_A     N    31_A     10   12   24      4    5   10   10   11   27   40   56   69   84   98  109  120  132  140  146  151  156  159  161 
LCS_GDT     K    32_A     K    32_A      5   12   24      4    5    7   12   15   23   35   56   60   79   90  104  115  130  138  145  151  156  159  161 
LCS_GDT     H    33_A     H    33_A      6   12   24      4    5   12   16   27   38   53   68   82   93  108  116  125  132  140  146  151  156  159  161 
LCS_GDT     I    34_A     I    34_A      6    9   26      2    4   12   20   35   52   70   82   96  102  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     P    35_A     P    35_A      6    9   26      3    6   12   23   36   54   70   82   96  103  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F    36_A     F    36_A      6    9   26      4    9   23   44   62   76   87   93  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     Y    37_A     Y    37_A      6   15   26      4   13   30   51   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     H    38_A     H    38_A      6   15   26      4   13   33   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I    39_A     I    39_A      6   15   26      4    7   22   44   68   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E    40_A     E    40_A      5   15   26      3   15   32   54   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     D    41_A     D    41_A      7   15   26      3    5   12   37   56   71   81   95  100  106  110  116  123  131  139  146  150  156  159  161 
LCS_GDT     S    42_A     S    42_A     10   15   26      6   12   31   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K    43_A     K    43_A     10   15   26      6   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F    44_A     F    44_A     10   15   26      6   12   28   54   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K    45_A     K    45_A     10   15   26      6   12   31   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     H    46_A     H    46_A     10   15   26      6   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     Y    47_A     Y    47_A     10   15   26      6   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     G    48_A     G    48_A     10   15   26      5   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K    49_A     K    49_A     10   15   26      6   21   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V    50_A     V    50_A     10   15   26      6   20   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I    51_A     I    51_A     10   15   26      2    8   22   43   63   74   83   93  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N    52_A     N    52_A      3   15   26      1    4   11   20   30   61   72   83   94  103  110  115  123  132  140  146  151  156  159  161 
LCS_GDT     E    53_A     E    53_A      3    7   26      0    1    4    6   14   21   30   45   58   76   89   99  105  114  122  133  143  149  155  161 
LCS_GDT     Y    54_A     Y    54_A      3    6   26      0    2    4    9   11   13   19   31   38   48   73   91   99  109  115  125  134  141  149  155 
LCS_GDT     D    55_A     D    55_A      3    6   26      1    2    4    9   11   14   24   31   40   64   77   91  100  111  115  123  133  140  147  153 
LCS_GDT     F    56_A     F    56_A      4    6   26      3    4    4    9   11   14   19   24   56   67   83   95  103  111  118  123  134  141  147  153 
LCS_GDT     N    57_A     N    57_A      4    6   26      3    4    4    6    8   13   19   24   28   43   54   87   95  103  115  119  125  130  136  146 
LCS_GDT     E    58_A     E    58_A      4   12   26      3    4    5    9   11   15   31   45   58   76   87   96  105  111  118  123  133  140  147  152 
LCS_GDT     L    59_A     L    59_A      8   12   26      2    4    8   19   24   51   58   76   90   96  103  113  117  123  132  140  148  151  156  161 
LCS_GDT     E    60_A     E    60_A      9   12   26      2    7    9   11   14   19   28   35   51   65   81   97  105  115  126  137  143  150  156  161 
LCS_GDT     T    61_A     T    61_A      9   12   21      3    7    9   11   14   19   25   34   45   60   73   92  104  115  122  133  143  149  153  161 
LCS_GDT     Y    62_A     Y    62_A      9   12   21      3    6    9   16   34   53   70   80   90  101  110  118  124  132  140  146  151  156  159  161 
LCS_GDT     M    63_A     M    63_A      9   12   21      3    7    9   11   18   33   41   54   73   86  101  112  120  132  139  146  151  156  159  161 
LCS_GDT     D    64_A     D    64_A      9   12   19      3    6    9   11   14   18   23   29   32   48   59   70   85   98  106  128  132  143  149  157 
LCS_GDT     S    65_A     S    65_A      9   12   19      4    7    9   11   14   16   25   35   47   56   70   83   93  105  120  132  140  146  152  156 
LCS_GDT     L    66_A     L    66_A      9   12   19      4    7    9   11   14   15   23   39   48   60   77   89   96  106  116  125  133  145  151  154 
LCS_GDT     T    67_A     T    67_A      9   12   19      4    7    9   11   14   15   16   18   23   32   38   41   62   72   81   86  108  109  116  132 
LCS_GDT     I    68_A     I    68_A      9   12   19      4    7    9   11   14   15   16   18   22   25   32   36   44   62   69   76   98  107  112  121 
LCS_GDT     P    69_A     P    69_A      4   12   19      3    4    8   11   14   14   16   18   22   25   27   30   42   46   56   60   66   70   74   85 
LCS_GDT     Q    70_A     Q    70_A      4   12   19      3    4    5   11   14   14   16   18   22   25   27   30   31   37   40   44   48   58   60   65 
LCS_GDT     D    71_A     D    71_A      3    5   19      0    3    3    6    9   10   11   15   20   24   25   28   34   37   40   44   49   58   62   67 
LCS_GDT     Q    72_A     Q    72_A      4    5   19      1    4    4    7    9   10   12   14   17   21   28   31   41   45   56   62   67   70   81   97 
LCS_GDT     N    73_A     N    73_A      4    5   19      1    4    5    7   12   14   17   22   29   37   50   61   75   87  104  111  120  131  138  149 
LCS_GDT     V    74_A     V    74_A      4    7   19      3    4    6    7   13   19   30   39   51   66   86   94   99  117  130  139  148  152  158  161 
LCS_GDT     Y    75_A     Y    75_A      6    7   19      3    5    7   12   17   32   54   69   82   93  106  116  125  132  140  146  151  156  159  161 
LCS_GDT     V    76_A     V    76_A      6    7   22      3    5   10   24   31   43   61   76   87  102  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     A    77_A     A    77_A      6    7   22      3    8    8   18   37   48   63   83   95  103  108  115  125  132  140  146  151  156  159  161 
LCS_GDT     S    78_A     S    78_A      6    7   25      3    5    8   12   26   36   51   62   85   94  107  114  120  129  137  144  151  156  159  161 
LCS_GDT     V    79_A     V    79_A      6    7   25      3    5   19   28   47   58   75   90   96  105  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     T    80_A     T    80_A      6    7   25      3    5    9   15   37   48   63   74   87  103  108  115  122  129  139  144  151  156  159  161 
LCS_GDT     E    81_A     E    81_A      3    5   25      3    4   10   22   35   50   71   84   96  105  108  118  125  132  140  146  151  156  159  161 
LCS_GDT     M    82_A     M    82_A      4    6   25      3    8   23   43   61   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E    83_A     E    83_A      4    6   25      3    4    6    7   18   38   47   55   67   73   85  106  113  122  126  134  139  149  153  157 
LCS_GDT     N    84_A     N    84_A      4    6   25      3    4    4    7   12   21   37   41   46   57   65   87  104  107  114  123  135  140  143  148 
LCS_GDT     T    85_A     T    85_A      4    6   25      3    4    4    6   10   16   30   38   42   50   70  104  106  112  120  124  131  136  147  152 
LCS_GDT     I    86_A     I    86_A      4    6   25      0    4    4    5   13   21   26   31   38   47   64   83   96  101  108  119  123  132  136  140 
LCS_GDT     I    87_A     I    87_A      3    6   25      0    3    4    5    7   12   18   31   38   51   71   83   97  103  115  119  125  132  136  144 
LCS_GDT     K    88_A     K    88_A      3    4   25      3    3    4    5    7   10   18   25   32   47   71   83   91  103  111  119  125  130  137  144 
LCS_GDT     N    89_A     N    89_A      3    4   25      3    3    4    5    5    7   10   14   20   23   29   33   54   62   70   78   86   95  100  107 
LCS_GDT     Q    90_A     Q    90_A      3    4   25      3    3    4    5    6    8   11   14   18   23   24   32   36   38   42   50   54   68   76   95 
LCS_GDT     L    91_A     L    91_A      4    4   25      3    4    4    5    6    8   11   15   20   23   25   36   54   62   70   81   87  100  108  116 
LCS_GDT     Q    92_A     Q    92_A      4    4   25      3    4    4    5    7    8   11   15   20   23   24   32   43   52   70   81   87  100  108  116 
LCS_GDT     E    93_A     E    93_A      4    4   25      3    4    4    5    6    8   10   14   16   21   23   25   28   32   38   42   54   56   62   70 
LCS_GDT     A    94_A     A    94_A      4    4   25      3    4    4    5    7    8   11   14   19   21   24   27   31   34   38   42   47   47   55   59 
LCS_GDT     F    95_A     F    95_A      3    8   25      3    3    3    5    7    8   11   14   19   21   24   27   31   34   38   45   54   66   78   90 
LCS_GDT     Y    96_A     Y    96_A      3   12   25      3    4    8   10   12   13   15   17   18   21   24   26   31   47   56   61   74   81   97  106 
LCS_GDT     G    97_A     G    97_A      3   12   25      3    4    6   10   12   13   15   16   18   21   24   25   28   32   38   45   50   61   74   84 
LCS_GDT     E    98_A     E    98_A      6   12   93      3    8    8   10   12   13   15   17   18   19   23   27   33   40   55   63   73   82   97  106 
LCS_GDT     M    99_A     M    99_A      6   12   95      3    8    8   10   12   13   17   23   32   50   60   71   80   87   95  102  110  114  121  125 
LCS_GDT     S   100_A     S   100_A      6   12   97      4    8    8   10   16   21   33   50   65   84   93   99  106  112  118  124  129  136  142  147 
LCS_GDT     I   101_A     I   101_A      6   12   99      3    8    8   11   21   29   46   65   83   92  100  105  114  120  123  131  134  142  150  157 
LCS_GDT     Q   102_A     Q   102_A      6   12  112      4    8   15   26   40   63   79   90  100  106  110  115  120  128  138  144  150  156  158  161 
LCS_GDT     I   103_A     I   103_A      6   12  112      4   10   21   39   59   74   83   93  100  106  110  117  124  132  140  146  151  156  159  161 
LCS_GDT     G   104_A     G   104_A      6   12  112      4    8   17   39   63   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     Y   105_A     Y   105_A      6   12  112      3    8   19   30   55   72   85   93   99  105  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     C   106_A     C   106_A      4   12  112      3    3    5   10   11   30   38   57   76   91  103  114  120  125  135  141  150  155  159  161 
LCS_GDT     N   107_A     N   107_A      4   12  112      1    3    5    9   14   32   48   57   76   91  100  107  115  121  127  137  142  148  153  159 
LCS_GDT     G   108_A     G   108_A      4   10  115      1    3    5    9   14   18   41   57   65   78   98  107  111  117  123  128  133  138  146  154 
LCS_GDT     P   109_A     P   109_A      4    6  115      1    4    6   15   26   38   48   59   70   81   98  107  111  118  123  128  133  138  144  151 
LCS_GDT     N   110_A     N   110_A      3    5  117      1    3    3   11   16   21   39   57   71   80   98  103  111  118  123  128  132  143  147  153 
LCS_GDT     S   111_A     S   111_A      3   16  121      3    9   21   37   61   74   87   95  100  106  110  118  124  131  140  146  150  156  159  161 
LCS_GDT     T   112_A     T   112_A      5   16  121      3   11   25   42   68   79   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   113_A     L   113_A      5   16  121      3   11   29   51   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   114_A     N   114_A      5   16  121      3   10   26   48   69   78   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     G   115_A     G   115_A     10   16  121      3   11   29   51   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   116_A     L   116_A     10   23  121      3   13   32   54   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   117_A     E   117_A     10   23  121      3   11   32   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     Y   118_A     Y   118_A     10   23  121      3   17   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     H   119_A     H   119_A     10   23  121      5   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   120_A     K   120_A     10   23  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     S   121_A     S   121_A     10   23  121      6   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     S   122_A     S   122_A     10   23  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   123_A     E   123_A     10   23  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I   124_A     I   124_A     10   23  121      5   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   125_A     N   125_A     10   23  121      3   11   35   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I   126_A     I   126_A      8   23  121      3   13   29   50   68   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     A   127_A     A   127_A      8   23  121      3   12   20   37   57   70   80   90  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I   128_A     I   128_A      8   23  121      3    9   18   26   51   67   76   88   95  105  110  117  125  132  140  146  151  156  159  161 
LCS_GDT     T   129_A     T   129_A      6   23  121      3    7   22   40   58   71   79   89   97  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     D   130_A     D   130_A      6   23  121      3    6   12   32   51   67   79   88   95  105  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     M   131_A     M   131_A      8   23  121      6   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V   132_A     V   132_A      8   23  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   133_A     L   133_A      8   23  121      5   20   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   134_A     L   134_A      8   23  121      4   16   31   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   135_A     L   135_A      8   23  121      5   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     G   136_A     G   136_A      8   23  121      5   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   137_A     K   137_A      8   23  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V   138_A     V   138_A      8   23  121      4    8   31   54   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     Q   139_A     Q   139_A      6   12  121      3    6   14   39   62   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   140_A     E   140_A      5   10  121      3    7   11   23   33   66   83   93   99  105  110  116  125  131  140  146  151  156  159  161 
LCS_GDT     V   141_A     V   141_A      5   20  121      3   10   16   30   55   77   89   93  100  105  110  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   142_A     E   142_A      5   20  121      3    9   19   28   38   61   76   89   97  105  110  115  121  129  138  145  151  156  159  161 
LCS_GDT     N   143_A     N   143_A      5   20  121      3    5    5    8   18   30   43   63   87  102  108  115  120  127  133  141  148  155  159  161 
LCS_GDT     N   144_A     N   144_A      5   27  121      3    5   13   24   44   65   79   92   99  105  110  116  125  132  140  146  151  156  159  161 
LCS_GDT     V   145_A     V   145_A     10   27  121      3    6   25   42   63   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F   146_A     F   146_A     12   30  121      3   10   24   50   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     H   147_A     H   147_A     12   31  121      5   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     S   148_A     S   148_A     12   31  121      3    6   27   53   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   149_A     N   149_A     12   31  121      5   14   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     D   150_A     D   150_A     12   31  121      5   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V   151_A     V   151_A     12   31  121      5   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I   152_A     I   152_A     12   31  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     A   153_A     A   153_A     12   31  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F   154_A     F   154_A     12   31  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F   155_A     F   155_A     12   31  121      5   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V   156_A     V   156_A     12   31  121      5   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     P   157_A     P   157_A     12   31  121      4   16   33   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   158_A     K   158_A      7   31  121      3    6   22   39   63   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     G   159_A     G   159_A      8   31  121      4   15   32   51   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     T   160_A     T   160_A      8   31  121      3   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     A   161_A     A   161_A      9   31  121      4   13   27   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V   162_A     V   162_A      9   31  121      4   13   30   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   163_A     E   163_A      9   31  121      6   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   164_A     L   164_A      9   31  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     Y   165_A     Y   165_A      9   31  121      4   15   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     S   166_A     S   166_A      9   31  121      5   19   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     T   167_A     T   167_A      9   31  121      4    7   16   34   60   80   89   95  100  106  110  118  125  132  140  146  151  156  159  161 
LCS_GDT     T   168_A     T   168_A      9   31  121      4    9   17   37   67   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   169_A     L   169_A      9   31  121      4   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     H   170_A     H   170_A      7   31  121      3    7   24   53   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F   171_A     F   171_A      7   31  121      3    7   16   30   54   75   86   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     A   172_A     A   172_A      7   31  121      3    5   16   30   37   60   79   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     P   173_A     P   173_A      5   31  121      4   16   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     C   174_A     C   174_A      5   31  121      3   18   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   175_A     K   175_A      5   31  121      3   14   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V   176_A     V   176_A      5   31  121      6   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   177_A     N   177_A      5   31  121      3   14   38   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   178_A     N   178_A      6   16  121      4    9   19   48   68   80   89   95  100  106  111  118  125  132  140  146  150  156  159  161 
LCS_GDT     E   179_A     E   179_A      8   16  121      4    8   17   35   59   78   89   95  100  106  110  118  125  132  140  146  150  156  159  161 
LCS_GDT     G   180_A     G   180_A      8   16  121      4    8   16   32   55   75   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F   181_A     F   181_A      8   16  121      4    8   23   42   63   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   182_A     K   182_A      8   16  121      4   16   32   51   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     T   183_A     T   183_A      8   16  121      5   16   32   53   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I   184_A     I   184_A      8   16  121      3   12   31   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     V   185_A     V   185_A      8   16  121      3   10   26   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I   186_A     I   186_A      8   16  121      4   12   30   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   187_A     L   187_A      7   16  121      3   12   36   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     P   188_A     P   188_A      5   16  121      3   11   29   51   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   189_A     K   189_A      4   16  121      4   15   41   54   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     G   190_A     G   190_A      4    9  121      3   12   20   24   40   58   69   85   95  103  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     T   191_A     T   191_A      4    9  121      3    5   20   24   31   43   63   80   92  102  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   192_A     N   192_A      4    9  121      3    3    8   19   31   42   57   71   86  101  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     D   193_A     D   193_A      4    9  121      3    3   12   15   27   32   43   62   71   84   98  109  118  132  140  146  151  156  159  161 
LCS_GDT     P   194_A     P   194_A      4    9  121      3    3    5    8   11   18   34   40   50   70   86   99  111  120  133  139  149  153  159  161 
LCS_GDT     L   195_A     L   195_A      4    7  121      3    3    4   11   17   28   45   67   88   99  110  118  125  132  140  146  151  156  159  161 
LCS_GDT     S   196_A     S   196_A      4    7  121      3    4    6   10   12   26   37   52   66   89  103  115  123  132  140  146  151  156  159  161 
LCS_GDT     T   197_A     T   197_A      4    7  121      3    7   12   19   43   61   73   87   95  103  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   198_A     N   198_A      4    6  121      3    3    7   14   18   28   43   68   87   97  109  118  124  132  140  146  151  156  159  161 
LCS_GDT     I   199_A     I   199_A      4    5  121      3    3    7   12   17   38   66   84   95  102  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     Q   200_A     Q   200_A      4    5  121      3    5    8   13   17   21   38   60   85   98  109  118  124  132  140  146  151  156  159  161 
LCS_GDT     K   201_A     K   201_A      4    5  121      3    3    8   13   17   21   25   48   62   89  105  118  124  132  140  145  151  156  159  161 
LCS_GDT     R   202_A     R   202_A      4    5  121      3    3    4    4    5    6   17   24   30   40  105  118  124  132  140  146  151  156  159  161 
LCS_GDT     T   203_A     T   203_A      4    5  121      3    3    4    8   13   15   18   26   32   42   93  117  124  132  140  146  151  156  159  161 
LCS_GDT     K   204_A     K   204_A      4    5  121      3    3    4    6   11   21   30   59   84  101  109  118  124  132  140  146  151  156  159  161 
LCS_GDT     E   205_A     E   205_A      4    5  121      3   12   21   39   55   69   79   88   97  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     D   206_A     D   206_A      4    5  121      1    3    4   29   40   53   75   83   96  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   207_A     E   207_A      3    7  121      1    5    6   11   17   54   79   88   97  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   208_A     L   208_A      4    7  121      3   11   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     L   209_A     L   209_A      5    7  121      3    4    6   40   68   78   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     F   210_A     F   210_A      5    7  121      3   22   41   55   69   78   88   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     M   211_A     M   211_A      5    7  121      3    7   22   48   66   76   85   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   212_A     K   212_A      5    7  121      9   22   41   55   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     N   213_A     N   213_A      5    7  121      3   11   29   47   68   80   89   95  100  106  110  118  125  132  140  146  151  156  159  161 
LCS_GDT     K   214_A     K   214_A      6   16  121      3    4    6   14   27   40   52   86   96  104  110  115  121  129  138  144  150  156  159  161 
LCS_GDT     W   215_A     W   215_A      6   16  121      3    5    7   15   25   30   42   63   73   95  100  111  117  124  129  135  143  149  155  159 
LCS_GDT     L   216_A     L   216_A      6   16  121      3    5   19   28   38   61   79   90   97  105  110  116  125  132  140  146  151  156  159  161 
LCS_GDT     I   217_A     I   217_A      6   16  121      3    5   12   14   26   48   63   83   95  103  108  115  125  132  140  146  151  156  159  161 
LCS_GDT     A   218_A     A   218_A      8   16  121      3    7   26   44   61   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     H   219_A     H   219_A      8   16  121      5   16   30   50   69   80   89   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     P   220_A     P   220_A      8   16  121      3    7   12   14   53   75   85   95  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   221_A     E   221_A      8   16  121      3    8   29   53   67   76   85   93  100  106  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     R   222_A     R   222_A      9   16  121      3    8   20   39   61   70   79   88   97  105  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     E   223_A     E   223_A      9   16  121      3    7   14   27   46   56   69   79   91  101  106  113  123  129  136  140  148  152  156  161 
LCS_GDT     Q   224_A     Q   224_A      9   16  121      3    7   12   14   18   37   49   60   80   90   98  106  116  122  127  134  143  150  154  161 
LCS_GDT     L   225_A     L   225_A      9   16  121      3    7   12   19   36   66   75   82   92  101  110  117  123  132  140  146  151  156  159  161 
LCS_GDT     I   226_A     I   226_A      9   16  121      3   12   20   36   51   67   75   82   94  101  110  118  124  132  140  146  151  156  159  161 
LCS_GDT     N   227_A     N   227_A      9   16  121      3    7   14   16   29   38   57   69   80   91   98  106  116  122  127  134  143  149  153  161 
LCS_GDT     K   228_A     K   228_A      9   16  121      3    7    9   13   17   34   49   60   80   91  100  106  116  122  127  136  143  150  156  161 
LCS_GDT     G   229_A     G   229_A      9   16  121      5   12   22   40   58   70   79   88   97  106  111  118  124  132  140  146  151  156  159  161 
LCS_GDT     A   230_A     A   230_A      9   16  121      4    9   18   34   53   69   80   91   99  105  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     H   231_A     H   231_A      5   15  121      3    4   19   28   38   59   75   90   96  105  109  116  125  131  140  146  151  156  159  161 
LCS_GDT     P   232_A     P   232_A      5   15   39      3    4    8   16   26   40   52   74   85   97  108  115  121  129  138  146  151  156  159  161 
LCS_GDT     G   233_A     G   233_A      5   15   39      3    4    6   12   16   16   25   36   52   65   82   94  105  116  123  131  133  141  150  154 
LCS_GDT     I   234_A     I   234_A      5   15   39      3    4    8   11   14   16   25   43   52   65   78   95  105  118  123  131  138  149  155  160 
LCS_GDT     K   235_A     K   235_A      5   15   34      3    4    6   12   16   16   20   26   30   36   38   44   66   82   91  117  122  130  138  143 
LCS_GDT     G   236_A     G   236_A      5    6   34      3    4    6   12   16   16   20   27   30   39   45   50   71   85  109  119  126  132  139  147 
LCS_GDT     E   237_A     E   237_A      5    7   34      3    4    7   12   24   27   41   62   74   83  103  112  120  126  137  145  151  156  159  161 
LCS_GDT     N   238_A     N   238_A      5    7   34      3    9   19   30   45   61   79   90   97  105  111  118  125  132  140  146  151  156  159  161 
LCS_GDT     I   239_A     I   239_A      5    7   34      3    4    8   12   21   36   50   71   80   93  108  115  125  132  140  146  151  156  159  161 
LCS_GDT     K   240_A     K   240_A      5    7   27      3    7   11   15   27   41   54   69   83   95  108  117  125  132  140  146  151  156  159  161 
LCS_GDT     V   241_A     V   241_A      5    7   12      3    4    5    6    8   15   29   37   55   72   81   94  109  121  134  145  151  156  159  161 
LCS_GDT     Y   242_A     Y   242_A      5    7    9      3    4    5    6    8    8   10   14   28   32   35   40   46   72   81  106  116  124  138  148 
LCS_GDT     Q   243_A     Q   243_A      3    7    9      3    3    4    5    8    8   10   11   15   17   22   26   30   32   36   42   49   62   72   98 
LCS_AVERAGE  LCS_A:  15.60  (   3.06    6.89   36.84 )

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     22     41     55     69     80     89     95    100    106    111    118    125    132    140    146    151    156    159    161 
GDT PERCENT_AT   4.05   9.91  18.47  24.77  31.08  36.04  40.09  42.79  45.05  47.75  50.00  53.15  56.31  59.46  63.06  65.77  68.02  70.27  71.62  72.52
GDT RMS_LOCAL    0.31   0.71   1.09   1.39   1.67   2.00   2.17   2.33   2.47   2.77   3.20   3.42   3.74   4.09   4.32   4.57   4.94   4.99   5.17   5.26
GDT RMS_ALL_AT  11.11  10.98  11.00  11.07  11.17  11.36  11.42  11.40  11.36  11.26  11.08  11.16  11.24  11.12  11.09  11.07  11.03  11.06  11.10  11.09

# Checking swapping
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  Y    37_A      Y    37_A
#   possible swapping detected:  Y    47_A      Y    47_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  D    64_A      D    64_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  Y    96_A      Y    96_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  D   130_A      D   130_A
#   possible swapping detected:  F   146_A      F   146_A
#   possible swapping detected:  D   150_A      D   150_A
#   possible swapping detected:  F   154_A      F   154_A
#   possible swapping detected:  F   155_A      F   155_A
#   possible swapping detected:  E   163_A      E   163_A
#   possible swapping detected:  F   171_A      F   171_A
#   possible swapping detected:  E   207_A      E   207_A
#   possible swapping detected:  E   221_A      E   221_A
#   possible swapping detected:  Y   242_A      Y   242_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    22_A      G    22_A    31.606     0    0.632   0.632    32.661    0.000    0.000
LGA    S    23_A      S    23_A    25.998     0    0.181   0.378    28.038    0.000    0.000
LGA    F    24_A      F    24_A    23.639     0    0.152   1.203    24.768    0.000    0.000
LGA    Q    25_A      Q    25_A    27.916     0    0.087   1.004    35.431    0.000    0.000
LGA    Y    26_A      Y    26_A    24.716     0    0.114   0.190    26.000    0.000    0.000
LGA    M    27_A      M    27_A    18.596     0    0.058   1.010    20.981    0.000    0.000
LGA    K    28_A      K    28_A    20.860     0    0.131   1.231    25.616    0.000    0.000
LGA    D    29_A      D    29_A    21.419     0    0.076   0.842    27.046    0.000    0.000
LGA    L    30_A      L    30_A    16.530     0    0.192   1.177    19.231    0.000    0.000
LGA    N    31_A      N    31_A    12.855     0    0.204   1.037    14.495    0.000    0.000
LGA    K    32_A      K    32_A    14.630     0    0.089   0.901    19.499    0.000    0.000
LGA    H    33_A      H    33_A    10.769     0    0.235   1.132    11.864    1.071    3.619
LGA    I    34_A      I    34_A     7.438     0    0.275   0.797     8.571    6.905   13.155
LGA    P    35_A      P    35_A     7.361     0    0.337   0.354     8.600   18.214   12.653
LGA    F    36_A      F    36_A     4.304     0    0.197   1.116     5.853   33.333   32.944
LGA    Y    37_A      Y    37_A     3.284     0    0.034   0.166     4.801   55.476   45.476
LGA    H    38_A      H    38_A     2.477     0    0.041   1.252     8.385   59.167   35.952
LGA    I    39_A      I    39_A     2.620     0    0.632   1.320     5.853   59.524   45.893
LGA    E    40_A      E    40_A     1.682     0    0.715   0.884     6.951   73.214   46.296
LGA    D    41_A      D    41_A     4.311     0    0.645   0.885    10.097   48.571   25.952
LGA    S    42_A      S    42_A     1.681     0    0.082   0.620     4.020   70.833   65.556
LGA    K    43_A      K    43_A     1.979     0    0.034   1.202     8.632   75.000   48.889
LGA    F    44_A      F    44_A     1.848     0    0.062   1.165     4.885   75.000   59.134
LGA    K    45_A      K    45_A     1.566     2    0.026   0.507     2.472   75.000   57.672
LGA    H    46_A      H    46_A     1.551     0    0.024   1.608     4.981   77.143   64.571
LGA    Y    47_A      Y    47_A     1.325     0    0.116   1.147     8.676   83.690   53.333
LGA    G    48_A      G    48_A     0.708     0    0.079   0.079     1.596   83.810   83.810
LGA    K    49_A      K    49_A     1.738     4    0.133   0.176     2.200   72.976   39.630
LGA    V    50_A      V    50_A     2.259     0    0.152   0.844     3.621   55.714   59.864
LGA    I    51_A      I    51_A     4.407     0    0.275   0.817     5.415   36.190   42.679
LGA    N    52_A      N    52_A     8.099     0    0.608   1.374     9.787    3.929    5.060
LGA    E    53_A      E    53_A    13.751     0    0.626   0.903    17.437    0.000    0.000
LGA    Y    54_A      Y    54_A    15.589     0    0.487   1.258    19.228    0.000    0.000
LGA    D    55_A      D    55_A    16.986     0    0.317   0.634    20.455    0.000    0.000
LGA    F    56_A      F    56_A    15.919     0    0.410   1.039    20.153    0.000    0.000
LGA    N    57_A      N    57_A    19.207     0    0.093   0.343    23.093    0.000    0.000
LGA    E    58_A      E    58_A    16.487     0    0.271   0.819    22.209    0.000    0.000
LGA    L    59_A      L    59_A    10.368     0    0.178   0.514    12.742    0.357    2.143
LGA    E    60_A      E    60_A    13.620     0    0.229   1.491    20.856    0.000    0.000
LGA    T    61_A      T    61_A    14.994     0    0.217   1.018    16.932    0.000    0.000
LGA    Y    62_A      Y    62_A     8.065     0    0.146   0.902    10.400    1.667   27.857
LGA    M    63_A      M    63_A    10.895     0    0.086   1.329    14.990    0.119    0.060
LGA    D    64_A      D    64_A    17.605     0    0.102   0.819    22.024    0.000    0.000
LGA    S    65_A      S    65_A    17.790     0    0.093   0.616    19.883    0.000    0.000
LGA    L    66_A      L    66_A    18.593     0    0.127   0.717    20.539    0.000    0.000
LGA    T    67_A      T    67_A    23.700     0    0.165   1.076    27.178    0.000    0.000
LGA    I    68_A      I    68_A    22.438     0    0.159   1.425    26.432    0.000    0.000
LGA    P    69_A      P    69_A    25.772     0    0.163   0.480    26.473    0.000    0.000
LGA    Q    70_A      Q    70_A    29.382     0    0.360   1.219    35.004    0.000    0.000
LGA    D    71_A      D    71_A    27.645     3    0.304   0.313    28.873    0.000    0.000
LGA    Q    72_A      Q    72_A    21.927     3    0.638   0.718    24.136    0.000    0.000
LGA    N    73_A      N    73_A    17.473     0    0.214   1.118    21.050    0.000    0.000
LGA    V    74_A      V    74_A    14.808     0    0.410   0.559    17.838    0.000    0.000
LGA    Y    75_A      Y    75_A     9.559     0    0.387   1.306    11.041    0.595   19.762
LGA    V    76_A      V    76_A     8.541     0    0.180   0.498    11.512    5.714    3.333
LGA    A    77_A      A    77_A     7.720     0    0.562   0.507     8.671    8.571    7.429
LGA    S    78_A      S    78_A     9.489     0    0.203   0.662    11.478    1.429    0.952
LGA    V    79_A      V    79_A     7.182     0    0.618   0.844     7.676   10.119   14.354
LGA    T    80_A      T    80_A     9.332     0    0.336   0.510    12.483    4.048    2.313
LGA    E    81_A      E    81_A     7.620     0    0.330   1.156    14.125   12.619    5.767
LGA    M    82_A      M    82_A     3.343     0    0.446   0.541     6.914   29.405   53.095
LGA    E    83_A      E    83_A     9.798     0    0.159   0.610    12.881    2.619    1.164
LGA    N    84_A      N    84_A    12.728     0    0.372   1.381    13.672    0.000    0.000
LGA    T    85_A      T    85_A    12.996     0    0.350   0.795    15.770    0.000    0.000
LGA    I    86_A      I    86_A    18.250     0    0.332   1.082    21.946    0.000    0.000
LGA    I    87_A      I    87_A    17.618     0    0.398   1.626    21.518    0.000    0.000
LGA    K    88_A      K    88_A    17.218     0    0.245   0.927    20.685    0.000    0.000
LGA    N    89_A      N    89_A    24.137     0    0.327   0.940    27.837    0.000    0.000
LGA    Q    90_A      Q    90_A    25.661     0    0.251   1.191    28.324    0.000    0.000
LGA    L    91_A      L    91_A    19.756     0    0.419   0.790    21.701    0.000    0.000
LGA    Q    92_A      Q    92_A    21.740     0    0.163   0.838    25.808    0.000    0.000
LGA    E    93_A      E    93_A    28.649     0    0.204   0.643    33.046    0.000    0.000
LGA    A    94_A      A    94_A    28.388     0    0.248   0.241    28.726    0.000    0.000
LGA    F    95_A      F    95_A    22.594     0    0.188   1.393    24.411    0.000    0.000
LGA    Y    96_A      Y    96_A    22.297     0    0.438   1.112    24.738    0.000    0.000
LGA    G    97_A      G    97_A    27.294     0    0.234   0.234    27.908    0.000    0.000
LGA    E    98_A      E    98_A    25.210     0    0.268   1.155    32.754    0.000    0.000
LGA    M    99_A      M    99_A    18.545     0    0.126   1.086    22.350    0.000    0.000
LGA    S   100_A      S   100_A    12.262     0    0.100   0.470    14.421    0.000    0.000
LGA    I   101_A      I   101_A    10.184     0    0.260   0.470    15.923    0.714    0.357
LGA    Q   102_A      Q   102_A     5.541     0    0.221   1.217     6.688   25.833   33.439
LGA    I   103_A      I   103_A     4.504     0    0.096   0.838     9.558   33.452   20.298
LGA    G   104_A      G   104_A     3.113     0    0.362   0.362     3.113   57.500   57.500
LGA    Y   105_A      Y   105_A     4.676     0    0.128   1.369    13.113   24.762   14.405
LGA    C   106_A      C   106_A     8.671     0    0.454   1.168    10.956    7.738    5.635
LGA    N   107_A      N   107_A     9.565     0    0.475   0.907    11.180    0.238    0.119
LGA    G   108_A      G   108_A    10.983     0    0.166   0.166    10.983    0.119    0.119
LGA    P   109_A      P   109_A    10.576     0    0.597   0.813    14.472    0.238    0.136
LGA    N   110_A      N   110_A     9.913     0    0.704   1.378    15.021    4.405    2.202
LGA    S   111_A      S   111_A     3.954     0    0.630   0.782     5.985   42.976   43.095
LGA    T   112_A      T   112_A     2.743     0    0.187   0.675     3.986   59.167   58.571
LGA    L   113_A      L   113_A     1.824     0    0.507   0.909     5.067   55.238   56.964
LGA    N   114_A      N   114_A     2.711     0    0.275   1.400     4.999   64.881   58.036
LGA    G   115_A      G   115_A     1.812     0    0.198   0.198     1.845   77.143   77.143
LGA    L   116_A      L   116_A     1.347     0    0.231   1.000     2.232   77.262   76.250
LGA    E   117_A      E   117_A     1.039     0    0.167   0.310     2.162   90.595   79.894
LGA    Y   118_A      Y   118_A     0.474     0    0.175   0.665     3.653   92.976   74.008
LGA    H   119_A      H   119_A     1.094     0    0.139   1.304     6.856   81.548   52.667
LGA    K   120_A      K   120_A     1.158     0    0.343   1.204     7.129   71.429   62.857
LGA    S   121_A      S   121_A     2.019     0    0.338   0.722     3.638   66.905   62.619
LGA    S   122_A      S   122_A     1.127     0    0.236   0.641     3.571   75.357   71.032
LGA    E   123_A      E   123_A     1.257     0    0.136   0.714     3.250   81.429   70.794
LGA    I   124_A      I   124_A     1.260     0    0.133   1.105     3.062   83.690   77.560
LGA    N   125_A      N   125_A     2.033     0    0.089   1.132     3.617   68.810   61.310
LGA    I   126_A      I   126_A     2.978     0    0.088   0.339     4.022   50.238   52.202
LGA    A   127_A      A   127_A     5.029     0    0.214   0.226     6.434   25.476   26.667
LGA    I   128_A      I   128_A     6.431     0    0.269   1.449     8.858   17.143   13.571
LGA    T   129_A      T   129_A     6.118     0    0.231   0.806     6.414   18.214   20.408
LGA    D   130_A      D   130_A     6.880     0    0.257   0.844    11.885   19.762   10.536
LGA    M   131_A      M   131_A     2.829     0    0.330   1.434     7.442   54.048   44.940
LGA    V   132_A      V   132_A     2.005     0    0.031   0.277     3.828   68.810   62.925
LGA    L   133_A      L   133_A     1.357     0    0.066   1.179     3.835   79.286   73.452
LGA    L   134_A      L   134_A     1.632     0    0.201   0.815     2.509   72.976   69.940
LGA    L   135_A      L   135_A     1.600     0    0.075   1.252     3.980   77.143   66.488
LGA    G   136_A      G   136_A     0.811     0    0.257   0.257     1.829   83.810   83.810
LGA    K   137_A      K   137_A     0.585     0    0.101   1.041     3.027   86.190   81.111
LGA    V   138_A      V   138_A     1.960     0    0.561   1.272     5.134   77.143   64.218
LGA    Q   139_A      Q   139_A     3.621     0    0.590   1.307    10.430   43.452   22.963
LGA    E   140_A      E   140_A     5.883     0    0.641   1.315    14.167   27.619   12.804
LGA    V   141_A      V   141_A     5.000     0    0.428   1.118     6.391   22.738   27.415
LGA    E   142_A      E   142_A     7.654     4    0.545   0.535     9.566    8.095    3.651
LGA    N   143_A      N   143_A     8.981     0    0.109   0.175    13.311    5.476    2.738
LGA    N   144_A      N   144_A     5.665     0    0.150   1.417     8.651   27.262   18.869
LGA    V   145_A      V   145_A     2.983     0    0.173   0.757     3.815   55.595   58.503
LGA    F   146_A      F   146_A     2.254     0    0.175   1.067     8.454   66.905   41.775
LGA    H   147_A      H   147_A     1.311     0    0.219   1.048     4.883   79.286   64.000
LGA    S   148_A      S   148_A     2.223     0    0.183   0.220     4.098   72.976   63.175
LGA    N   149_A      N   149_A     1.474     0    0.147   0.843     2.919   75.000   67.976
LGA    D   150_A      D   150_A     1.697     0    0.133   0.914     4.991   75.000   60.595
LGA    V   151_A      V   151_A     1.754     0    0.081   0.286     3.252   70.833   65.034
LGA    I   152_A      I   152_A     1.015     0    0.062   0.954     2.889   85.952   78.631
LGA    A   153_A      A   153_A     1.122     0    0.075   0.090     1.826   81.429   79.714
LGA    F   154_A      F   154_A     1.156     0    0.097   1.096     8.002   81.429   50.216
LGA    F   155_A      F   155_A     1.625     0    0.196   1.077     6.037   75.000   57.100
LGA    V   156_A      V   156_A     1.121     0    0.106   1.373     3.389   83.690   76.054
LGA    P   157_A      P   157_A     1.091     0    0.171   0.264     2.336   81.429   76.667
LGA    K   158_A      K   158_A     3.192     1    0.127   0.892     6.075   57.262   36.667
LGA    G   159_A      G   159_A     1.747     0    0.231   0.231     2.255   72.976   72.976
LGA    T   160_A      T   160_A     1.351     0    0.190   0.800     2.238   77.143   77.891
LGA    A   161_A      A   161_A     2.482     0    0.171   0.203     2.841   62.857   61.714
LGA    V   162_A      V   162_A     2.037     0    0.061   0.502     2.961   70.952   68.367
LGA    E   163_A      E   163_A     1.048     0    0.063   1.003     2.122   83.690   79.630
LGA    L   164_A      L   164_A     0.958     0    0.137   0.913     5.102   90.476   76.012
LGA    Y   165_A      Y   165_A     1.343     0    0.158   0.906     6.082   81.429   59.246
LGA    S   166_A      S   166_A     1.412     0    0.388   0.803     1.869   79.286   78.571
LGA    T   167_A      T   167_A     3.666     0    0.118   1.081     6.694   45.238   41.224
LGA    T   168_A      T   168_A     3.055     0    0.058   0.872     3.785   59.405   54.422
LGA    L   169_A      L   169_A     1.569     0    0.352   0.721     2.700   68.810   64.881
LGA    H   170_A      H   170_A     2.667     0    0.229   0.740     3.309   60.952   62.810
LGA    F   171_A      F   171_A     3.663     0    0.397   0.708     5.420   37.500   44.892
LGA    A   172_A      A   172_A     4.270     0    0.287   0.370     4.459   43.571   42.286
LGA    P   173_A      P   173_A     1.138     0    0.228   0.730     4.449   77.619   63.129
LGA    C   174_A      C   174_A     1.783     0    0.177   0.842     6.130   77.262   60.556
LGA    K   175_A      K   175_A     2.745     0    0.059   0.983     3.131   59.048   60.688
LGA    V   176_A      V   176_A     2.868     0    0.657   0.593     5.017   47.619   45.034
LGA    N   177_A      N   177_A     3.006     0    0.374   0.662     7.275   59.286   38.452
LGA    N   178_A      N   178_A     2.596     0    0.080   1.166     5.403   52.024   43.452
LGA    E   179_A      E   179_A     3.619     4    0.150   0.163     3.906   46.786   25.608
LGA    G   180_A      G   180_A     3.836     0    0.059   0.059     3.836   46.667   46.667
LGA    F   181_A      F   181_A     2.992     0    0.135   1.206     9.936   53.571   30.823
LGA    K   182_A      K   182_A     1.716     0    0.130   0.953     4.988   70.833   62.063
LGA    T   183_A      T   183_A     1.383     0    0.187   0.330     3.973   77.143   68.776
LGA    I   184_A      I   184_A     2.518     0    0.063   0.184     6.332   73.333   48.869
LGA    V   185_A      V   185_A     2.012     0    0.106   1.397     3.886   59.167   56.327
LGA    I   186_A      I   186_A     2.196     0    0.197   1.238     6.084   77.381   60.536
LGA    L   187_A      L   187_A     1.050     0    0.254   1.202     3.058   67.262   68.274
LGA    P   188_A      P   188_A     2.105     0    0.317   0.482     6.250   59.524   45.510
LGA    K   189_A      K   189_A     2.354     2    0.271   0.709     4.626   55.952   43.333
LGA    G   190_A      G   190_A     8.015     0    0.036   0.036    10.900    6.905    6.905
LGA    T   191_A      T   191_A     8.460     0    0.477   0.704     9.637    4.048    5.850
LGA    N   192_A      N   192_A     9.040     0    0.287   1.112    11.451    1.071    2.143
LGA    D   193_A      D   193_A    12.768     0    0.149   0.726    14.887    0.000    0.000
LGA    P   194_A      P   194_A    15.810     0    0.131   0.193    20.007    0.000    0.000
LGA    L   195_A      L   195_A    11.157     0    0.170   1.371    13.698    0.000    3.214
LGA    S   196_A      S   196_A    12.936     0    0.661   0.587    14.392    0.000    0.000
LGA    T   197_A      T   197_A     9.296     0    0.618   0.869    10.573    0.357    3.878
LGA    N   198_A      N   198_A    12.872     0    0.240   0.952    16.925    0.000    0.000
LGA    I   199_A      I   199_A     8.983     0    0.561   0.898    10.867    0.833   14.762
LGA    Q   200_A      Q   200_A    11.992     4    0.552   0.617    12.804    0.000    0.000
LGA    K   201_A      K   201_A    12.754     0    0.257   1.565    15.966    0.000    0.000
LGA    R   202_A      R   202_A     8.747     0    0.160   2.101    13.491    2.143    1.818
LGA    T   203_A      T   203_A     8.826     0    0.497   0.440    10.670    1.786    1.837
LGA    K   204_A      K   204_A     9.439     0    0.174   1.283    12.899    2.857    1.323
LGA    E   205_A      E   205_A     6.569     0    0.181   1.402     9.351   11.786    8.360
LGA    D   206_A      D   206_A     7.298     0    0.274   0.933    10.706   11.667    6.726
LGA    E   207_A      E   207_A     6.278     0    0.617   0.735    11.069   17.619    9.735
LGA    L   208_A      L   208_A     2.022     0    0.627   1.199     6.568   67.024   52.619
LGA    L   209_A      L   209_A     2.749     0    0.208   1.405     7.458   63.333   43.512
LGA    F   210_A      F   210_A     3.193     0    0.521   1.203    13.219   45.357   20.260
LGA    M   211_A      M   211_A     3.907     0    0.226   0.830     7.062   46.667   36.429
LGA    K   212_A      K   212_A     2.325     0    0.279   0.685     4.530   62.976   59.630
LGA    N   213_A      N   213_A     2.564     0    0.164   0.791     6.829   55.595   41.131
LGA    K   214_A      K   214_A     6.454     0    0.449   1.420    11.351   23.452   12.063
LGA    W   215_A      W   215_A     9.273     0    0.167   1.263    17.310    2.619    0.748
LGA    L   216_A      L   216_A     6.179     0    0.210   0.854     8.489   14.405   14.643
LGA    I   217_A      I   217_A     7.160     0    0.083   0.781    13.728   15.476    7.917
LGA    A   218_A      A   218_A     3.303     0    0.150   0.197     4.496   43.571   44.857
LGA    H   219_A      H   219_A     2.730     0    0.236   0.965     6.228   52.143   37.952
LGA    P   220_A      P   220_A     4.097     0    0.141   0.319     5.543   38.214   37.959
LGA    E   221_A      E   221_A     4.061     0    0.113   0.941     6.242   35.000   33.122
LGA    R   222_A      R   222_A     6.462     0    0.256   1.459    14.091   15.119    7.489
LGA    E   223_A      E   223_A    10.166     0    0.036   1.186    13.705    0.714    0.317
LGA    Q   224_A      Q   224_A    12.205     4    0.098   0.109    13.276    0.000    0.000
LGA    L   225_A      L   225_A     8.198     0    0.072   0.797     9.321    3.929    6.607
LGA    I   226_A      I   226_A     8.616     0    0.104   1.590    10.324    1.905    3.214
LGA    N   227_A      N   227_A    13.212     0    0.051   1.075    17.491    0.000    0.000
LGA    K   228_A      K   228_A    11.930     0    0.146   1.359    20.325    0.000    0.000
LGA    G   229_A      G   229_A     6.842     0    0.305   0.305     8.519   21.429   21.429
LGA    A   230_A      A   230_A     5.094     0    0.301   0.297     7.288   20.952   19.429
LGA    H   231_A      H   231_A     7.443     0    0.124   1.312    11.778   12.619    5.190
LGA    P   232_A      P   232_A     9.394     0    0.294   0.634    13.071    1.071    0.816
LGA    G   233_A      G   233_A    13.436     0    0.564   0.564    13.572    0.000    0.000
LGA    I   234_A      I   234_A    12.534     0    0.150   0.841    15.803    0.000    2.500
LGA    K   235_A      K   235_A    17.607     0    0.360   1.527    21.261    0.000    0.000
LGA    G   236_A      G   236_A    17.794     0    0.248   0.248    17.794    0.000    0.000
LGA    E   237_A      E   237_A    12.545     4    0.163   0.198    14.813    0.000    0.000
LGA    N   238_A      N   238_A     6.489     0    0.436   0.954     8.600   14.881   26.964
LGA    I   239_A      I   239_A     9.748     0    0.073   0.627    12.804    2.738    1.369
LGA    K   240_A      K   240_A     8.610     0    0.131   0.903    11.597    1.071    2.275
LGA    V   241_A      V   241_A    12.379     0    0.206   1.087    14.389    0.000    0.000
LGA    Y   242_A      Y   242_A    16.413     0    0.188   1.277    20.926    0.000    0.000
LGA    Q   243_A      Q   243_A    19.584     0    0.398   1.369    22.188    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1756   1756  100.00               222
SUMMARY(RMSD_GDC):    10.685         10.628                 11.168           31.582   27.442

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  243  222    4.0     95    2.33    35.811    30.178     3.917

LGA_LOCAL      RMSD:   2.325  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.398  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  10.685  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.198569 * X  +   0.440593 * Y  +   0.875470 * Z  +  33.262440
  Y_new =   0.010649 * X  +   0.894175 * Y  +  -0.447591 * Z  +  41.923527
  Z_new =  -0.980029 * X  +  -0.079555 * Y  +  -0.182248 * Z  +  52.810146 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.088013  1.370607 -2.730006   [DEG:  176.9301   78.5300 -156.4178 ]
ZXZ:  1.098183  1.754068 -1.651794   [DEG:   62.9212  100.5007  -94.6409 ]
 
# END of job
