
#######################################################
#                                                     #
#                        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  278 ( 2100),  selected  278 , name one
# Molecule2: number of CA atoms  395 ( 2954),  selected  278 , 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:   146     246_A - 391_A       4.82    19.49
  LCS_AVERAGE:     23.15

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47     276_A - 322_A       1.86    20.65
  LCS_AVERAGE:      4.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42     280_A - 321_A       0.95    21.15
  LCS_AVERAGE:      3.38

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  278
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     Y   114_A     Y   114_A      3    4   15      2    3    3    4    5    5   10   13   14   14   20   20   23   28   31   36   50   54   58   62 
LCS_GDT     F   115_A     F   115_A      3    7   15      3    3    3    4    7    9    9   12   13   14   20   21   24   28   31   46   50   54   58   62 
LCS_GDT     W   116_A     W   116_A      5    7   15      3    5    7    7    7    8   10   10   11   14   15   21   26   30   31   49   55   57   63   76 
LCS_GDT     S   117_A     S   117_A      5    7   15      4    5    7    7    7    8   10   10   13   14   15   16   19   21   23   24   30   38   44   65 
LCS_GDT     L   118_A     L   118_A      5    7   15      4    5    7    7    7    9   10   10   13   14   15   16   17   20   22   26   29   38   51   65 
LCS_GDT     P   119_A     P   119_A      5    7   15      4    5    7    7    7    9   10   10   13   14   15   16   17   20   28   34   40   45   50   59 
LCS_GDT     A   120_A     A   120_A      5    7   15      4    5    7    7    7    9   10   10   13   14   15   16   17   20   22   23   27   31   38   45 
LCS_GDT     S   121_A     S   121_A      4    7   15      3    3    5    6    7    9   10   10   13   14   15   17   22   27   31   34   40   45   49   52 
LCS_GDT     F   122_A     F   122_A      4    7   15      3    3    4    4    7    9   10   10   13   14   15   22   24   27   31   38   43   51   57   64 
LCS_GDT     R   123_A     R   123_A      3    4   15      3    3    3    4    5    7    8   11   17   19   22   23   26   29   43   50   57   62   68   75 
LCS_GDT     G   124_A     G   124_A      3    5   15      3    3    4    5    8   10   12   16   19   21   22   23   25   29   31   38   47   60   66   68 
LCS_GDT     D   125_A     D   125_A      3    5   15      3    3    4    9    9   10   12   16   19   21   22   23   34   38   49   53   62   68   71   77 
LCS_GDT     K   126_A     K   126_A      3    5   17      2    3    9    9   10   13   28   36   42   46   48   52   55   59   64   70   74   80   85   94 
LCS_GDT     V   127_A     V   127_A      4    5   17      4    4    4    6   10   14   16   28   34   38   40   47   55   59   62   66   72  105  111  122 
LCS_GDT     T   128_A     T   128_A      4    5   17      4    4    4    5   10   13   16   22   34   38  113  122  130  138  141  145  149  152  158  162 
LCS_GDT     S   129_A     S   129_A      5    8   21      4    4    5   35   78   83   92  107  118  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   130_A     Y   130_A      5    8   21      4    4    5    6   18   32   56   81   97  117  124  132  135  137  140  145  149  152  158  162 
LCS_GDT     G   131_A     G   131_A      5    8   21      3    4    5    6    9   13   68   94  105  119  125  132  135  137  141  145  149  152  158  162 
LCS_GDT     G   132_A     G   132_A      5    9   21      3    4    5   41   47   79   92  111  118  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   133_A     E   133_A      5   10   21      3   17   34   62   79   89   99  111  118  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     L   134_A     L   134_A      5   10   21      3    4    5    7   25   40   67   79   94  101  112  121  128  134  140  145  149  152  158  162 
LCS_GDT     R   135_A     R   135_A      5   10   21      3    4   11   20   31   49   65   81   91  104  115  120  126  131  137  143  148  152  158  162 
LCS_GDT     F   136_A     F   136_A      5   10   21      3    4    5   14   18   25   32   37   47   60   75   84  102  109  125  133  138  147  151  159 
LCS_GDT     T   137_A     T   137_A      6   10   21      4    5    5    7    9   11   12   27   38   44   48   63   67   73   98  107  118  134  141  147 
LCS_GDT     V   138_A     V   138_A      6   10   21      4    5    5    6    9   13   20   24   30   32   38   43   50   59   68   76   97  107  122  130 
LCS_GDT     M   139_A     M   139_A      6   10   21      4    5    5    7    9   16   20   24   30   32   37   43   50   54   63   73   82   99  110  119 
LCS_GDT     Q   140_A     Q   140_A      6   10   21      4    5    5    8   12   14   18   22   26   30   36   38   45   55   62   69   75   85   93  107 
LCS_GDT     R   141_A     R   141_A      6   10   21      3    5    5    8   12   14   18   22   26   30   36   37   45   55   62   69   75   85   93  104 
LCS_GDT     P   142_A     P   142_A      6   10   21      3    4    5    7   10   12   17   21   26   30   34   41   50   56   63   69   75   83   91  102 
LCS_GDT     R   143_A     R   143_A      4    7   21      3    4    5    8   11   14   17   21   26   30   32   37   43   55   60   69   75   83   87  100 
LCS_GDT     P   144_A     P   144_A      4    6   21      3    4    5    8   11   14   18   21   26   30   36   41   46   53   59   69   75   85   94  107 
LCS_GDT     S   145_A     S   145_A      3    4   21      3    3    3    4    4    5    6    9   10   27   32   40   45   49   56   62   73   85   93  108 
LCS_GDT     S   146_A     S   146_A      3    4   21      3    3    3    6   11   15   20   22   28   34   43   48   54   63   77   85   93  102  113  122 
LCS_GDT     A   147_A     A   147_A      3    4   21      3    3    3    4    7   12   15   20   25   31   43   50   60   71   79   88   94  101  109  122 
LCS_GDT     P   148_A     P   148_A      4    6   21      3    3    4    6    9   10   12   17   21   31   41   50   66   73   81   88   97  104  111  128 
LCS_GDT     L   149_A     L   149_A      4    6   21      3    3    4    6    9   10   12   17   21   31   43   55   66   76   83   91   98  104  116  132 
LCS_GDT     H   150_A     H   150_A      4    6   20      3    3    4    6    9   10   12   12   14   43   55   65   73   92  106  112  131  135  142  152 
LCS_GDT     R   151_A     R   151_A      4    6   19      4    4    4    5    8   10   12   20   24   37   52   61   82   88  114  123  131  139  148  152 
LCS_GDT     Q   152_A     Q   152_A      4    6   24      4    4    4    5    8   10   14   18   25   30   41   45   51   61   63   70   98  112  120  131 
LCS_GDT     P   153_A     P   153_A      4    6   25      4    4    5    7    8   10   12   17   28   34   41   44   51   58   64   70   75   83   92  115 
LCS_GDT     L   154_A     L   154_A      6    7   25      4    6    6    8    9   11   13   17   19   20   27   34   41   49   60   69   75   83  101  115 
LCS_GDT     V   155_A     V   155_A      6    7   25      3    5    6    8    9   11   13   17   19   19   20   21   27   31   45   50   57   66   75   96 
LCS_GDT     V   156_A     V   156_A      6    7   25      4    6    6    8    9   11   13   17   19   19   22   23   27   36   45   49   54   63   68   75 
LCS_GDT     L   157_A     L   157_A      6    7   25      4    6    6    8    9   12   14   17   19   19   22   23   35   39   45   49   54   63   69   84 
LCS_GDT     Q   158_A     Q   158_A      6    7   25      4    6    6    8    9   12   14   17   19   19   22   23   27   33   38   40   47   57   60   70 
LCS_GDT     G   159_A     G   159_A      6    7   25      4    6    6    8    9   12   14   17   19   19   20   22   27   33   38   46   53   57   60   62 
LCS_GDT     N   160_A     N   160_A      4    9   25      3    4    4    7    9   12   14   17   19   22   29   34   38   42   48   52   55   63   69   84 
LCS_GDT     N   161_A     N   161_A      4    9   25      3    4    5    6    8   10   14   20   22   30   30   34   40   45   49   56   61   70   83   90 
LCS_GDT     I   162_A     I   162_A      4    9   25      3    4    6    7    9   15   19   22   27   36   39   45   52   57   62   69   75   83  100  116 
LCS_GDT     V   163_A     V   163_A      6    9   25      3    6    6    7    9   15   21   30   33   36   43   49   53   61   63   70   75   85   93  116 
LCS_GDT     L   164_A     L   164_A      6    9   25      4    7   15   22   26   29   31   37   42   46   50   54   60   63   67   70   75  105  111  129 
LCS_GDT     E   165_A     E   165_A      6    9   25      6   10   10   17   23   27   30   32   39   46   50   54   60   63   67   70   82  105  120  128 
LCS_GDT     H   166_A     H   166_A      6    9   25      4    6    6   13   16   25   31   37   42   46   50   54   60   63   67   70   82   91  100  116 
LCS_GDT     H   167_A     H   167_A      6    9   25      4    6    6   15   26   29   31   37   42   46   50   54   60   63   67   70   82   98  120  130 
LCS_GDT     A   168_A     A   168_A      6    9   25      3    6    6    7   14   21   28   36   42   46   50   54   60   63   67   70   82   91  110  119 
LCS_GDT     S   169_A     S   169_A      4    8   25      3   10   18   23   26   29   31   37   42   46   50   54   61   71   89  101  117  125  139  148 
LCS_GDT     R   170_A     R   170_A      4    6   25      3    4    4   23   26   29   30   37   42   46   50   54   60   63   72   89   97  108  122  130 
LCS_GDT     D   171_A     D   171_A      4    6   25      3    4   15   22   26   29   31   37   42   46   50   54   60   63   67   70   77   88  102  114 
LCS_GDT     P   172_A     P   172_A      4    5   25      3    4    5    7    9   13   20   24   32   37   47   53   60   63   67   70   75   83   88   98 
LCS_GDT     S   173_A     S   173_A      4    6   25      3    4    4    9   15   19   23   28   36   42   47   52   60   63   67   70   75   83   88  100 
LCS_GDT     P   174_A     P   174_A      4    6   25      3    4    5    6    7   10   13   16   20   23   27   34   41   45   55   62   69   77   84   90 
LCS_GDT     G   175_A     G   175_A      4    6   25      3    3    5    6    6    8   10   15   17   19   25   28   32   38   42   46   52   63   72   76 
LCS_GDT     Q   176_A     Q   176_A      4    6   25      3    3    4    6    6    8   10   15   17   19   25   31   38   48   59   66   72   78   84   90 
LCS_GDT     P   177_A     P   177_A      4    9   25      3    3    4    6   15   19   23   28   36   42   48   52   60   63   67   70   75   83   88   93 
LCS_GDT     S   178_A     S   178_A      8   10   18      4   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   75   85   91  102 
LCS_GDT     N   179_A     N   179_A      8   10   18      4   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   75   87   93  104 
LCS_GDT     F   180_A     F   180_A      8   10   18      6   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   82   93  106  118 
LCS_GDT     I   181_A     I   181_A      8   10   18      5   13   18   23   26   29   31   37   42   46   50   54   60   63   67   76   93   99  110  119 
LCS_GDT     V   182_A     V   182_A      8   10   18      6   13   18   23   26   29   31   37   42   46   50   54   60   71   83  101  117  128  141  148 
LCS_GDT     P   183_A     P   183_A      8   10   18      6   13   18   23   26   29   31   37   42   46   50   54   60   81   92  104  125  137  144  149 
LCS_GDT     F   184_A     F   184_A      8   10   17      6   12   18   23   26   29   31   37   42   46   50   65   77   84  108  128  137  147  153  160 
LCS_GDT     Q   185_A     Q   185_A      8   10   17      5   10   17   23   26   29   30   37   41   52   87   95  121  127  133  140  147  151  158  162 
LCS_GDT     E   186_A     E   186_A      4   10   17      3    4   10   13   15   26   29   32   41   45   50   54   60   63  100  116  138  147  156  162 
LCS_GDT     Q   187_A     Q   187_A      4   10   17      6   10   15   18   26   29   30   35   41   46   82  116  120  129  135  141  147  151  158  162 
LCS_GDT     A   188_A     A   188_A      4    6   17      3    4    7    8    9   23   47   84  101  115  118  121  127  129  136  141  147  151  158  162 
LCS_GDT     W   189_A     W   189_A      3    6   17      3    3    4    5    6    7   16   27   93   99  110  119  124  129  135  140  147  151  158  162 
LCS_GDT     Q   190_A     Q   190_A      3    5   21      3    4    9   22   52   74   97  109  113  117  123  126  129  136  139  143  148  152  158  162 
LCS_GDT     R   191_A     R   191_A      4    5   21      4    4   14   20   23   28   35   57   61   90  103  113  125  129  134  141  145  151  158  162 
LCS_GDT     P   192_A     P   192_A      4    5   21      4    4    4    5   11   14   20   29   36   41   78   89   98  114  122  134  136  144  150  160 
LCS_GDT     D   193_A     D   193_A      4    5   21      4    4    4    4    5   33   41   52   59   75  104  113  123  129  135  141  146  151  158  162 
LCS_GDT     G   194_A     G   194_A      4    5   21      4    4    4    4    5    6    9   38   47   54   68   89   98  114  133  139  146  151  154  161 
LCS_GDT     Q   195_A     Q   195_A      3    5   21      3    4    4    4    6   11   13   13   19   21   67   79   88  100  133  141  146  151  154  161 
LCS_GDT     P   196_A     P   196_A      4    5   21      3    4    4    5    8   11   13   16   19   21   22   23  126  128  135  139  144  151  156  162 
LCS_GDT     A   197_A     A   197_A      4    9   21      3    3    4   31   81   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   198_A     T   198_A      8    9   40      8    8    9    9   10   93  105  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     R   199_A     R   199_A      8    9   41      8    8   31   56   75   90  103  110  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   200_A     E   200_A      8    9   41      8    8    9   10   13   24   30   35   41  107  117  127  133  138  141  145  149  152  158  162 
LCS_GDT     H   201_A     H   201_A      8    9   41      8    8   23   31   68   83   91  103  116  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     L   202_A     L   202_A      8    9   41      8   17   26   32   78   86   99  110  118  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     L   203_A     L   203_A      8    9   41      8    8   18   23   26   29   31   37   42   46   50   54   60   63   67  129  139  151  158  162 
LCS_GDT     M   204_A     M   204_A      8    9   41      8    8    9    9   10   11   13   17   34   45   49   54   60   63   67   90  103  119  126  150 
LCS_GDT     A   205_A     A   205_A      8    9   41      8    8    9   12   19   22   27   31   34   41   58   78   95  105  114  134  137  144  151  159 
LCS_GDT     L   206_A     L   206_A      5    9   41      3    4    9   19   22   26   30   35   41   46   50   54   60   89  108  111  131  141  150  158 
LCS_GDT     A   207_A     A   207_A      5    6   41      3    5    6    7   10   12   26   34   41   46   50   54   60   63   67   70   74   80   88   95 
LCS_GDT     G   208_A     G   208_A      5    9   41      3    5    6    7   10   13   21   32   41   46   50   54   60   63   67   70   74   80   85   92 
LCS_GDT     I   209_A     I   209_A      5    9   41      3    5    6    7   10   13   28   35   41   46   50   54   60   63   67   70   74   80   88   93 
LCS_GDT     D   210_A     D   210_A      6    9   41      3    5    7    7   10   13   16   25   38   46   50   54   60   63   67   70   74   80   85   91 
LCS_GDT     A   211_A     A   211_A      6    9   41      4    5    7    7   10   13   16   25   41   46   50   54   60   63   67   70   74   80   85   91 
LCS_GDT     L   212_A     L   212_A      6   10   41      4    5    7    8   10   14   28   36   42   46   50   54   60   63   67   70   74   80   85   90 
LCS_GDT     L   213_A     L   213_A      6   10   41      3    5    7    8   10   14   28   36   42   46   50   54   60   63   67   70   74   80   85   90 
LCS_GDT     I   214_A     I   214_A      6   10   41      4    5    7    7    8   10   14   20   32   36   41   46   49   54   61   66   74   80   85   90 
LCS_GDT     Q   215_A     Q   215_A      6   10   41      4    5    7    8   10   18   28   35   42   46   50   53   60   63   67   70   74   80   85   90 
LCS_GDT     A   216_A     A   216_A      5   10   41      3    4    6    8   11   22   31   37   42   46   50   54   60   63   67   70   74   80   85   92 
LCS_GDT     S   217_A     S   217_A      5   10   41      3    5    7    8   10   19   28   37   42   46   50   54   60   63   67   70   74   80   85   91 
LCS_GDT     Y   218_A     Y   218_A      5   10   41      4    5    6    8   10   13   23   32   42   46   50   54   60   63   67   70   74   80   85   92 
LCS_GDT     T   219_A     T   219_A      5   10   41      4    5    6    8   17   26   31   37   42   46   50   54   60   63   67   70   74   79   84   89 
LCS_GDT     Q   220_A     Q   220_A      5   17   41      4    5    6   10   18   26   31   37   42   46   50   54   59   63   66   70   73   77   82   87 
LCS_GDT     Q   221_A     Q   221_A      5   17   41      4    6   12   14   22   26   31   37   42   46   50   54   60   63   67   70   73   79   84   89 
LCS_GDT     P   222_A     P   222_A      5   17   41      3    4    5   13   22   29   31   37   42   46   50   54   60   63   67   70   74   79   84   89 
LCS_GDT     A   223_A     A   223_A      6   17   41      3    4   14   22   26   29   31   37   42   46   50   54   60   63   67   70   74   80   85   91 
LCS_GDT     E   224_A     E   224_A     12   17   41      5   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   74   80   86   93 
LCS_GDT     S   225_A     S   225_A     12   17   41      5   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   74   83   88   94 
LCS_GDT     R   226_A     R   226_A     12   17   41      5   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   74   83   88   94 
LCS_GDT     L   227_A     L   227_A     12   17   41      5    6   17   23   26   29   31   37   42   46   50   54   60   63   67   70   74   83   88   94 
LCS_GDT     S   228_A     S   228_A     12   17   41      5    6   15   23   26   29   31   37   42   46   50   54   60   63   67   70   75   83   88   95 
LCS_GDT     G   229_A     G   229_A     12   17   41      3   12   18   23   26   29   31   37   42   46   50   54   60   63   67   70   75   85   91  101 
LCS_GDT     I   230_A     I   230_A     12   17   41      4   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   75   85   93  104 
LCS_GDT     S   231_A     S   231_A     12   17   41      4   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   79   87   93  104 
LCS_GDT     M   232_A     M   232_A     12   17   41      4   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   82   97  106  119 
LCS_GDT     D   233_A     D   233_A     12   17   41      4   13   18   23   26   29   31   37   42   46   50   54   60   63   67   70   82   92  106  119 
LCS_GDT     V   234_A     V   234_A     12   17   41      4   10   18   23   26   29   31   37   42   46   50   54   60   63   67   70   82   92  106  119 
LCS_GDT     A   235_A     A   235_A     12   17   41      4   13   18   23   26   29   31   37   42   46   50   54   60   63   67   81   89  107  119  130 
LCS_GDT     V   236_A     V   236_A     10   17   41      4    7   12   17   23   29   31   37   42   46   50   52   59   63   74   81   98  123  128  135 
LCS_GDT     P   237_A     P   237_A      4   17   41      3    4    9   13   19   25   31   39   46   55   62   71   75   91   99  105  123  129  137  141 
LCS_GDT     E   238_A     E   238_A      4   15   41      3    4    8   13   16   25   31   36   42   46   47   56   60   66   73   80   89   95  105  116 
LCS_GDT     N   239_A     N   239_A      4   15   41      3    5   10   13   17   25   31   37   42   46   48   52   55   61   65   70   78   83   87  103 
LCS_GDT     T   240_A     T   240_A      4   15   39      3    4    4    9   13   17   30   33   41   46   48   52   55   59   64   70   75   82   89   93 
LCS_GDT     G   241_A     G   241_A      4    7   39      3    3    5    8   10   13   16   20   22   38   40   47   53   56   61   69   75   82   89  107 
LCS_GDT     Q   242_A     Q   242_A      5    7  139      3    4    5    6    7   10   10   13   16   19   21   24   26   47   63   73   81   94  101  107 
LCS_GDT     D   243_A     D   243_A      5    7  140      4    4    5    6    7    7    8   10   13   19   21   24   26   59   80  107  113  131  138  151 
LCS_GDT     S   244_A     S   244_A      5    7  141      4    4    5    6    7    7    8   10   12   14   28   46   78   93   99  107  113  124  141  149 
LCS_GDT     A   245_A     A   245_A      5    7  145      4    4    5    6    7    9   14   19   26   34   39   43   54   64   82   98  105  120  125  131 
LCS_GDT     R   246_A     R   246_A      5    7  146      4    4    6    7   10   12   13   16   21   28   31   62   72   80   86  107  123  133  141  147 
LCS_GDT     E   247_A     E   247_A      5    7  146      4    4    6    7   11   14   17   24   31   37   48   62   72   80   97  103  132  135  141  147 
LCS_GDT     V   248_A     V   248_A      5   20  146      4    4    8   12   17   23   32   41   62   76  114  126  130  135  139  144  148  151  154  158 
LCS_GDT     E   249_A     E   249_A      5   22  146      4    4    9   12   18   44   63   80  107  119  125  132  135  137  141  145  149  152  158  162 
LCS_GDT     Q   250_A     Q   250_A     17   24  146      8   21   41   66   84   95  105  111  118  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   251_A     C   251_A     17   24  146     12   30   57   77   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   252_A     T   252_A     17   24  146     12   30   57   77   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   253_A     C   253_A     17   24  146     12   38   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   254_A     P   254_A     17   24  146     12   34   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   255_A     P   255_A     17   24  146      3    4   10   33   52   71   87  103  111  121  127  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   256_A     G   256_A     17   24  146     11   17   56   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   257_A     Y   257_A     17   24  146     12   34   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     R   258_A     R   258_A     17   24  146     12   33   64   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   259_A     G   259_A     17   24  146     12   31   62   77   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   260_A     P   260_A     17   24  146     12   29   57   77   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   261_A     S   261_A     17   24  146     12   21   57   77   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   262_A     C   262_A     17   24  146     12   23   62   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   263_A     Q   263_A     17   24  146     12   18   57   77   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     D   264_A     D   264_A     17   24  146     12   18   64   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   265_A     C   265_A     17   24  146     11   18   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     D   266_A     D   266_A     17   24  146     11   34   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   267_A     T   267_A     15   24  146      7   40   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   268_A     G   268_A     15   24  146      7   30   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   269_A     Y   269_A     15   24  146      9   44   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   270_A     T   270_A     15   24  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     R   271_A     R   271_A      4   24  146      3    4    4   13   16   96  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     V   272_A     V   272_A      4   24  146      3   26   55   74   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   273_A     P   273_A      4   24  146      3    4   17   39   58   78   97  111  118  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   274_A     S   274_A      4    5  146      3    4    4    5   16   33   43   74   88  112  122  126  133  135  139  145  149  151  154  160 
LCS_GDT     G   275_A     G   275_A      3    5  146      3    3   15   30   43   70   90   99  113  119  126  132  135  137  141  145  149  152  158  161 
LCS_GDT     L   276_A     L   276_A      3   47  146      3    3    4    5    7   93  104  112  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   277_A     Y   277_A      3   47  146      3    7   14   40   70   93  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     L   278_A     L   278_A      5   47  146      3    6    9   28   40   62   88  109  113  117  123  126  133  138  141  145  149  152  158  162 
LCS_GDT     G   279_A     G   279_A      5   47  146      4   17   33   62   80   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   280_A     T   280_A     42   47  146      4   25   58   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   281_A     C   281_A     42   47  146      4   41   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   282_A     E   282_A     42   47  146      8   32   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     R   283_A     R   283_A     42   47  146      8   29   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   284_A     C   284_A     42   47  146      5   43   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     N   285_A     N   285_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   286_A     C   286_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   287_A     H   287_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   288_A     G   288_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   289_A     H   289_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   290_A     S   290_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   291_A     E   291_A     42   47  146      4   19   45   65   85   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   292_A     T   292_A     42   47  146     28   45   61   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   293_A     C   293_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   294_A     E   294_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   295_A     P   295_A     42   47  146      5   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   296_A     E   296_A     42   47  146     23   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   297_A     T   297_A     42   47  146     21   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   298_A     G   298_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   299_A     A   299_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   300_A     C   300_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   301_A     Q   301_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   302_A     S   302_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   303_A     C   303_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   304_A     Q   304_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   305_A     H   305_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   306_A     H   306_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   307_A     T   307_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   308_A     E   308_A     42   47  146     16   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   309_A     G   309_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   310_A     A   310_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   311_A     S   311_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   312_A     C   312_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   313_A     E   313_A     42   47  146     28   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   314_A     Q   314_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   315_A     C   315_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   316_A     Q   316_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   317_A     P   317_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   318_A     G   318_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   319_A     Y   319_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   320_A     Y   320_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   321_A     G   321_A     42   47  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     D   322_A     D   322_A     38   47  146      4    5    7   26   45   73   97  112  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   323_A     A   323_A      5   45  146      4    5    6    7    9   23   30   40   52   57  115  125  129  135  137  144  149  152  158  162 
LCS_GDT     Q   324_A     Q   324_A      5    8  146      4    5    6    8   14   20   25   33   40   49   57   64   95  108  129  134  139  149  154  161 
LCS_GDT     R   325_A     R   325_A      5   14  146      4    5    7   13   21   33   65   81  108  118  123  128  135  138  141  145  149  152  158  162 
LCS_GDT     G   326_A     G   326_A      4   14  146      3    5   10   18   39   72  105  112  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   327_A     T   327_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   328_A     P   328_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   329_A     Q   329_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     D   330_A     D   330_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   331_A     C   331_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   332_A     Q   332_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   333_A     P   333_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   334_A     C   334_A     12   14  146     31   45   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   335_A     P   335_A     12   14  146      7   32   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   336_A     C   336_A     12   14  146      6   38   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   337_A     Y   337_A     12   14  146      6   37   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   338_A     G   338_A     12   14  146      3    8   22   41   80   92  105  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   339_A     A   339_A      3   14  146      3   18   56   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   340_A     P   340_A      3    7  146      3    3    4   10   22   34   49   79  104  118  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   341_A     A   341_A      3    5  146      0    4   14   27   35   76   91  107  120  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   342_A     A   342_A      3    5  146      0    4    4   27   35   69   91  102  114  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   343_A     G   343_A      3    5  146      0    4    4   12   67   91  104  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Q   344_A     Q   344_A      4    5  146      3   13   47   74   89   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   345_A     A   345_A      4    5  146      3    8   47   69   85   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   346_A     A   346_A      4    5  146      3    4    7   44   74   94  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   347_A     H   347_A      4    5  146      5   34   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   348_A     T   348_A      4    5  146     12   44   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   349_A     C   349_A      4    5  146     14   43   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     F   350_A     F   350_A      4    5  146      5   24   57   77   87   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     L   351_A     L   351_A      3    4  146      3    6    9   14   31   44   57   78   92  102  108  116  128  133  139  145  149  152  158  162 
LCS_GDT     D   352_A     D   352_A      3    4  146      3    4    8   14   35   52   64   88   96  104  111  122  129  136  140  145  149  152  158  162 
LCS_GDT     T   353_A     T   353_A      6    6  146      3    3   16   30   41   54   66   85   95  104  111  117  128  136  140  145  149  152  158  162 
LCS_GDT     D   354_A     D   354_A      6    6  146      3    4    6   11   37   66   86   91   97  107  113  126  132  136  140  145  149  152  158  162 
LCS_GDT     G   355_A     G   355_A      6    6  146      3    4   26   41   63   81   89   95  106  116  124  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   356_A     H   356_A      6   25  146      3   15   38   71   81   90   99  111  118  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   357_A     P   357_A      6   25  146      4   44   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     T   358_A     T   358_A      6   25  146      3    8   24   38   80   96  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   359_A     C   359_A      4   25  146      3    5    6   49   66   94  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     D   360_A     D   360_A     21   25  146      3    8   35   67   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   361_A     S   361_A     21   25  146      4   17   57   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   362_A     C   362_A     21   25  146     11   22   56   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   363_A     S   363_A     21   25  146      8   35   56   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   364_A     P   364_A     21   25  146      3   17   53   74   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   365_A     G   365_A     21   25  146      6   22   56   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   366_A     H   366_A     21   25  146     11   39   60   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     S   367_A     S   367_A     21   25  146     10   30   60   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   368_A     G   368_A     21   25  146     10   26   58   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     R   369_A     R   369_A     21   25  146      7   27   60   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   370_A     H   370_A     21   25  146      8   40   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   371_A     C   371_A     21   25  146     12   44   65   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     E   372_A     E   372_A     21   25  146     11   25   51   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     R   373_A     R   373_A     21   25  146     11   25   51   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   374_A     C   374_A     21   25  146     11   28   60   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     A   375_A     A   375_A     21   25  146     11   22   45   71   90   96  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     P   376_A     P   376_A     21   25  146     11   22   35   48   72   92  103  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   377_A     G   377_A     21   25  146     11   22   26   57   69   88  103  111  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   378_A     Y   378_A     21   25  146     11   27   57   75   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     Y   379_A     Y   379_A     21   25  146     11   32   60   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     G   380_A     G   380_A     21   25  146     11   26   62   77   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     N   381_A     N   381_A      5   24  146      3    4    5    6   13   22   42   71   94  103  115  122  126  133  140  145  149  152  158  162 
LCS_GDT     P   382_A     P   382_A      5    7  146      3    4    5    6    7    7   13   16   19   22   28   57   84  115  121  134  143  151  156  162 
LCS_GDT     S   383_A     S   383_A      5    7  146      3    4    5    6    7    7   10   12   18   41   55   68   91   98  104  109  117  124  140  147 
LCS_GDT     Q   384_A     Q   384_A      5    8  146      3    5    5    7   16   38   50   60   64   71   79   88  102  108  127  137  143  147  156  162 
LCS_GDT     G   385_A     G   385_A      4    8  146      4    8   15   22   25   30   34   40   66   76   82   90  101  123  125  132  139  146  152  161 
LCS_GDT     Q   386_A     Q   386_A      4    8  146      3    3    6   21   34   46   61   70   87  102  110  116  120  129  134  141  147  152  158  162 
LCS_GDT     P   387_A     P   387_A      5    8  146     10   22   48   69   86   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     C   388_A     C   388_A      5    8  146     11   40   57   76   90   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     H   389_A     H   389_A      5    8  146     11   22   52   66   85   97  106  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     R   390_A     R   390_A      5    8  146     11   22   26   50   70   92  105  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_GDT     D   391_A     D   391_A      5    8  146     11   22   37   57   80   96  105  113  121  123  128  132  135  138  141  145  149  152  158  162 
LCS_AVERAGE  LCS_A:  10.40  (   3.38    4.67   23.15 )

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     31     45     65     77     90     97    106    113    121    123    128    132    135    138    141    145    149    152    158    162 
GDT PERCENT_AT   7.85  11.39  16.46  19.49  22.78  24.56  26.84  28.61  30.63  31.14  32.41  33.42  34.18  34.94  35.70  36.71  37.72  38.48  40.00  41.01
GDT RMS_LOCAL    0.35   0.50   0.98   1.17   1.48   1.64   1.89   2.07   2.33   2.40   2.62   2.81   2.97   3.11   3.29   3.57   3.84   4.09   4.55   4.86
GDT RMS_ALL_AT  20.69  21.26  20.49  20.69  21.15  20.45  20.65  20.78  21.08  20.99  20.91  20.51  20.51  20.42  20.30  20.15  19.97  19.66  19.36  19.21

# Checking swapping
#   possible swapping detected:  F   115_A      F   115_A
#   possible swapping detected:  F   122_A      F   122_A
#   possible swapping detected:  E   133_A      E   133_A
#   possible swapping detected:  F   136_A      F   136_A
#   possible swapping detected:  D   171_A      D   171_A
#   possible swapping detected:  F   184_A      F   184_A
#   possible swapping detected:  D   193_A      D   193_A
#   possible swapping detected:  D   210_A      D   210_A
#   possible swapping detected:  E   238_A      E   238_A
#   possible swapping detected:  E   249_A      E   249_A
#   possible swapping detected:  Y   257_A      Y   257_A
#   possible swapping detected:  D   266_A      D   266_A
#   possible swapping detected:  E   308_A      E   308_A
#   possible swapping detected:  Y   319_A      Y   319_A
#   possible swapping detected:  Y   320_A      Y   320_A
#   possible swapping detected:  D   322_A      D   322_A
#   possible swapping detected:  F   350_A      F   350_A
#   possible swapping detected:  D   360_A      D   360_A
#   possible swapping detected:  Y   379_A      Y   379_A
#   possible swapping detected:  D   391_A      D   391_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Y   114_A      Y   114_A    49.401     0    0.039   0.186    50.107    0.000    0.000
LGA    F   115_A      F   115_A    50.401     0    0.570   1.445    53.989    0.000    0.000
LGA    W   116_A      W   116_A    51.267     0    0.424   0.546    58.698    0.000    0.000
LGA    S   117_A      S   117_A    49.708     0    0.151   0.595    51.179    0.000    0.000
LGA    L   118_A      L   118_A    44.743     0    0.076   1.346    46.364    0.000    0.000
LGA    P   119_A      P   119_A    44.779     0    0.151   0.288    44.779    0.000    0.000
LGA    A   120_A      A   120_A    44.887     0    0.030   0.033    46.994    0.000    0.000
LGA    S   121_A      S   121_A    38.999     0    0.575   0.613    41.249    0.000    0.000
LGA    F   122_A      F   122_A    33.149     0    0.680   1.548    35.357    0.000    0.000
LGA    R   123_A      R   123_A    31.135     0    0.205   0.749    36.163    0.000    0.000
LGA    G   124_A      G   124_A    30.128     0    0.314   0.314    30.666    0.000    0.000
LGA    D   125_A      D   125_A    24.509     0    0.269   1.142    26.785    0.000    0.000
LGA    K   126_A      K   126_A    17.874     0    0.582   1.159    20.047    0.000    0.000
LGA    V   127_A      V   127_A    13.637     0    0.656   0.663    17.644    0.000    0.000
LGA    T   128_A      T   128_A     7.354     0    0.078   0.070     9.729   17.262   11.633
LGA    S   129_A      S   129_A     7.698     0    0.281   0.743     9.638    4.048    3.730
LGA    Y   130_A      Y   130_A    11.364     0    0.419   1.089    13.716    0.119    0.040
LGA    G   131_A      G   131_A    10.396     0    0.049   0.049    10.680    0.238    0.238
LGA    G   132_A      G   132_A     8.962     0    0.563   0.563    10.841    1.429    1.429
LGA    E   133_A      E   133_A     8.353     0    0.015   1.042     9.301    3.095   10.053
LGA    L   134_A      L   134_A    12.023     0    0.054   1.162    19.609    0.000    0.000
LGA    R   135_A      R   135_A    11.542     0    0.055   1.461    16.099    0.000    4.762
LGA    F   136_A      F   136_A    17.434     0    0.045   1.209    18.167    0.000    0.000
LGA    T   137_A      T   137_A    22.059     0    0.663   0.906    24.824    0.000    0.000
LGA    V   138_A      V   138_A    25.877     0    0.030   1.168    27.315    0.000    0.000
LGA    M   139_A      M   139_A    28.970     0    0.046   1.059    31.944    0.000    0.000
LGA    Q   140_A      Q   140_A    33.772     0    0.047   1.150    37.649    0.000    0.000
LGA    R   141_A      R   141_A    36.351     0    0.051   1.494    38.483    0.000    0.000
LGA    P   142_A      P   142_A    39.024     0    0.052   0.382    39.576    0.000    0.000
LGA    R   143_A      R   143_A    39.881     0    0.049   1.320    44.062    0.000    0.000
LGA    P   144_A      P   144_A    37.469     0    0.618   0.933    40.417    0.000    0.000
LGA    S   145_A      S   145_A    37.141     0    0.268   0.425    38.400    0.000    0.000
LGA    S   146_A      S   146_A    32.017     0    0.643   0.811    33.399    0.000    0.000
LGA    A   147_A      A   147_A    33.689     0    0.609   0.615    35.824    0.000    0.000
LGA    P   148_A      P   148_A    32.143     0    0.615   0.538    32.861    0.000    0.000
LGA    L   149_A      L   149_A    29.273     0    0.687   0.558    34.301    0.000    0.000
LGA    H   150_A      H   150_A    24.373     0    0.493   1.191    28.758    0.000    0.000
LGA    R   151_A      R   151_A    20.385     0    0.476   1.370    23.343    0.000    0.000
LGA    Q   152_A      Q   152_A    21.710     0    0.025   0.158    25.374    0.000    0.000
LGA    P   153_A      P   153_A    23.294     0    0.019   0.097    27.053    0.000    0.000
LGA    L   154_A      L   154_A    22.213     0    0.409   1.392    25.918    0.000    0.000
LGA    V   155_A      V   155_A    20.276     0    0.058   0.173    20.462    0.000    0.000
LGA    V   156_A      V   156_A    21.399     0    0.022   0.102    23.028    0.000    0.000
LGA    L   157_A      L   157_A    19.791     0    0.096   0.168    20.314    0.000    0.000
LGA    Q   158_A      Q   158_A    20.412     0    0.186   0.432    22.803    0.000    0.000
LGA    G   159_A      G   159_A    19.157     0    0.029   0.029    19.482    0.000    0.000
LGA    N   160_A      N   160_A    18.287     0    0.280   0.214    20.401    0.000    0.000
LGA    N   161_A      N   161_A    20.255     0    0.180   0.858    27.154    0.000    0.000
LGA    I   162_A      I   162_A    17.049     0    0.104   0.112    17.859    0.000    0.000
LGA    V   163_A      V   163_A    18.806     0    0.123   1.059    22.618    0.000    0.000
LGA    L   164_A      L   164_A    18.225     0    0.225   0.335    19.960    0.000    0.000
LGA    E   165_A      E   165_A    19.037     0    0.074   0.126    21.013    0.000    0.000
LGA    H   166_A      H   166_A    19.232     0    0.052   1.172    20.828    0.000    0.000
LGA    H   167_A      H   167_A    21.299     0    0.048   1.161    25.686    0.000    0.000
LGA    A   168_A      A   168_A    23.065     0    0.577   0.561    24.421    0.000    0.000
LGA    S   169_A      S   169_A    22.046     0    0.073   0.540    25.179    0.000    0.000
LGA    R   170_A      R   170_A    27.336     0    0.643   1.628    30.802    0.000    0.000
LGA    D   171_A      D   171_A    31.982     0    0.573   1.133    33.726    0.000    0.000
LGA    P   172_A      P   172_A    35.180     0    0.483   0.513    37.619    0.000    0.000
LGA    S   173_A      S   173_A    39.089     0    0.379   0.393    41.412    0.000    0.000
LGA    P   174_A      P   174_A    42.029     0    0.163   0.422    44.534    0.000    0.000
LGA    G   175_A      G   175_A    46.785     0    0.122   0.122    48.186    0.000    0.000
LGA    Q   176_A      Q   176_A    43.876     0    0.495   0.892    44.295    0.000    0.000
LGA    P   177_A      P   177_A    43.186     0    0.460   0.684    46.185    0.000    0.000
LGA    S   178_A      S   178_A    38.646     0    0.576   0.754    40.767    0.000    0.000
LGA    N   179_A      N   179_A    35.220     0    0.121   0.730    36.694    0.000    0.000
LGA    F   180_A      F   180_A    29.483     0    0.067   1.314    31.743    0.000    0.000
LGA    I   181_A      I   181_A    25.344     0    0.107   0.129    28.549    0.000    0.000
LGA    V   182_A      V   182_A    20.834     0    0.014   0.066    22.637    0.000    0.000
LGA    P   183_A      P   183_A    17.782     0    0.082   0.139    18.707    0.000    0.000
LGA    F   184_A      F   184_A    14.029     0    0.517   0.701    17.832    0.000    0.000
LGA    Q   185_A      Q   185_A    11.194     0    0.658   0.603    14.175    0.000    0.000
LGA    E   186_A      E   186_A    12.290     0    0.651   1.343    16.049    0.000    0.000
LGA    Q   187_A      Q   187_A     9.680     0    0.079   0.991    13.905    1.667    0.899
LGA    A   188_A      A   188_A     9.712     0    0.567   0.535    12.606    0.238    0.190
LGA    W   189_A      W   189_A    10.224     0    0.599   1.340    19.743    1.786    0.510
LGA    Q   190_A      Q   190_A     7.432     0    0.643   0.944    10.520    4.048   11.111
LGA    R   191_A      R   191_A    12.088     0    0.637   1.073    18.494    0.119    0.043
LGA    P   192_A      P   192_A    16.366     0    0.068   0.372    17.421    0.000    0.000
LGA    D   193_A      D   193_A    12.713     0    0.269   0.905    13.134    0.000    1.964
LGA    G   194_A      G   194_A    13.861     0    0.181   0.181    13.861    0.000    0.000
LGA    Q   195_A      Q   195_A    12.587     0    0.621   1.384    17.741    0.000    0.000
LGA    P   196_A      P   196_A     9.550     0    0.549   0.483    10.574    8.810    5.102
LGA    A   197_A      A   197_A     3.496     0    0.272   0.307     6.067   40.119   40.762
LGA    T   198_A      T   198_A     4.760     0    0.593   1.408     9.082   45.476   31.156
LGA    R   199_A      R   199_A     5.546     0    0.028   1.536    18.140   23.929    9.134
LGA    E   200_A      E   200_A     7.092     0    0.036   1.297    12.883   12.381    6.455
LGA    H   201_A      H   201_A     6.210     0    0.025   1.452    10.599   14.881    9.429
LGA    L   202_A      L   202_A     5.500     0    0.071   1.390     8.529   16.310   38.036
LGA    L   203_A      L   203_A     9.740     0    0.036   1.403    13.513    2.619    1.310
LGA    M   204_A      M   204_A    13.925     0    0.177   0.288    17.478    0.000    0.000
LGA    A   205_A      A   205_A    14.196     0    0.616   0.596    15.762    0.000    0.000
LGA    L   206_A      L   206_A    15.010     0    0.652   1.351    16.412    0.000    0.000
LGA    A   207_A      A   207_A    17.575     0    0.016   0.022    21.651    0.000    0.000
LGA    G   208_A      G   208_A    24.388     0    0.413   0.413    25.167    0.000    0.000
LGA    I   209_A      I   209_A    26.672     0    0.120   0.615    30.161    0.000    0.000
LGA    D   210_A      D   210_A    32.472     0    0.650   1.298    35.606    0.000    0.000
LGA    A   211_A      A   211_A    34.181     0    0.135   0.186    36.348    0.000    0.000
LGA    L   212_A      L   212_A    32.005     0    0.031   1.343    33.150    0.000    0.000
LGA    L   213_A      L   213_A    35.926     0    0.023   0.079    41.829    0.000    0.000
LGA    I   214_A      I   214_A    33.942     0    0.619   0.610    37.652    0.000    0.000
LGA    Q   215_A      Q   215_A    37.823     0    0.025   1.062    39.566    0.000    0.000
LGA    A   216_A      A   216_A    43.247     0    0.136   0.142    45.685    0.000    0.000
LGA    S   217_A      S   217_A    45.363     0    0.589   0.981    49.460    0.000    0.000
LGA    Y   218_A      Y   218_A    40.731     0    0.164   1.512    42.372    0.000    0.000
LGA    T   219_A      T   219_A    46.427     0    0.050   0.077    49.191    0.000    0.000
LGA    Q   220_A      Q   220_A    51.885     0    0.080   0.516    55.948    0.000    0.000
LGA    Q   221_A      Q   221_A    55.930     0    0.176   1.148    62.765    0.000    0.000
LGA    P   222_A      P   222_A    53.183     0    0.025   0.137    56.871    0.000    0.000
LGA    A   223_A      A   223_A    54.530     0    0.640   0.621    54.530    0.000    0.000
LGA    E   224_A      E   224_A    51.854     0    0.104   0.999    54.457    0.000    0.000
LGA    S   225_A      S   225_A    47.222     0    0.077   0.633    49.449    0.000    0.000
LGA    R   226_A      R   226_A    47.264     0    0.109   0.837    55.556    0.000    0.000
LGA    L   227_A      L   227_A    44.135     0    0.054   0.134    45.851    0.000    0.000
LGA    S   228_A      S   228_A    44.726     0    0.698   0.609    46.674    0.000    0.000
LGA    G   229_A      G   229_A    39.951     0    0.321   0.321    41.525    0.000    0.000
LGA    I   230_A      I   230_A    35.194     0    0.056   0.108    37.290    0.000    0.000
LGA    S   231_A      S   231_A    32.042     0    0.067   0.113    32.895    0.000    0.000
LGA    M   232_A      M   232_A    26.705     0    0.049   1.150    28.966    0.000    0.000
LGA    D   233_A      D   233_A    24.955     0    0.079   0.132    27.308    0.000    0.000
LGA    V   234_A      V   234_A    22.237     0    0.014   1.194    23.615    0.000    0.000
LGA    A   235_A      A   235_A    20.456     0    0.029   0.034    20.770    0.000    0.000
LGA    V   236_A      V   236_A    19.306     0    0.029   0.995    22.171    0.000    0.000
LGA    P   237_A      P   237_A    17.328     0    0.071   0.342    20.221    0.000    0.000
LGA    E   238_A      E   238_A    22.965     0    0.536   1.559    25.453    0.000    0.000
LGA    N   239_A      N   239_A    26.496     0    0.599   1.123    29.951    0.000    0.000
LGA    T   240_A      T   240_A    27.438     0    0.691   1.427    27.946    0.000    0.000
LGA    G   241_A      G   241_A    25.238     0    0.662   0.662    27.010    0.000    0.000
LGA    Q   242_A      Q   242_A    24.695     0    0.079   0.986    31.550    0.000    0.000
LGA    D   243_A      D   243_A    21.215     0    0.095   1.072    23.279    0.000    0.000
LGA    S   244_A      S   244_A    18.939     0    0.061   0.189    20.388    0.000    0.000
LGA    A   245_A      A   245_A    21.676     0    0.375   0.348    22.658    0.000    0.000
LGA    R   246_A      R   246_A    18.973     0    0.185   1.539    26.998    0.000    0.000
LGA    E   247_A      E   247_A    19.390     0    0.076   1.250    23.725    0.000    0.000
LGA    V   248_A      V   248_A    14.108     0    0.033   0.064    15.964    0.000    0.000
LGA    E   249_A      E   249_A    10.145     0    0.069   0.868    13.980    2.976    1.323
LGA    Q   250_A      Q   250_A     5.084     0    0.227   0.881     6.851   27.024   24.180
LGA    C   251_A      C   251_A     3.091     0    0.070   0.087     3.677   48.333   50.079
LGA    T   252_A      T   252_A     2.988     0    0.142   0.165     3.725   57.143   53.129
LGA    C   253_A      C   253_A     1.591     0    0.120   0.170     2.066   70.833   72.937
LGA    P   254_A      P   254_A     2.212     0    0.240   0.369     3.612   57.738   58.639
LGA    P   255_A      P   255_A     6.424     0    0.468   0.562     9.420   27.976   18.503
LGA    G   256_A      G   256_A     2.536     0    0.189   0.189     4.037   62.143   62.143
LGA    Y   257_A      Y   257_A     1.675     0    0.027   0.291     4.302   68.810   58.452
LGA    R   258_A      R   258_A     1.884     0    0.031   1.437     4.290   68.810   63.463
LGA    G   259_A      G   259_A     2.732     0    0.015   0.015     2.948   59.048   59.048
LGA    P   260_A      P   260_A     3.569     0    0.052   0.297     4.276   48.333   45.306
LGA    S   261_A      S   261_A     2.972     0    0.014   0.094     3.599   55.357   52.460
LGA    C   262_A      C   262_A     1.923     0    0.029   0.073     2.169   66.786   68.810
LGA    Q   263_A      Q   263_A     2.540     0    0.022   0.118     3.648   60.952   54.127
LGA    D   264_A      D   264_A     1.898     0    0.067   0.744     1.996   72.857   75.060
LGA    C   265_A      C   265_A     1.722     0    0.049   0.110     1.799   72.857   72.857
LGA    D   266_A      D   266_A     1.750     0    0.102   0.610     4.371   77.143   61.369
LGA    T   267_A      T   267_A     1.275     0    0.063   0.220     1.456   83.690   82.721
LGA    G   268_A      G   268_A     1.765     0    0.021   0.021     1.862   75.000   75.000
LGA    Y   269_A      Y   269_A     1.160     0    0.434   0.435     2.975   75.357   81.706
LGA    T   270_A      T   270_A     1.648     0    0.601   1.380     5.719   62.619   54.150
LGA    R   271_A      R   271_A     3.492     0    0.650   1.523    14.969   63.095   26.667
LGA    V   272_A      V   272_A     3.413     0    0.100   1.138     5.535   40.000   40.544
LGA    P   273_A      P   273_A     6.606     0    0.682   0.603     7.338   16.667   15.918
LGA    S   274_A      S   274_A    10.141     0    0.593   0.726    13.885    2.500    1.667
LGA    G   275_A      G   275_A     8.924     0    0.263   0.263     9.961    8.452    8.452
LGA    L   276_A      L   276_A     5.106     0    0.345   1.361    10.055   35.952   20.060
LGA    Y   277_A      Y   277_A     3.863     0    0.451   1.191     6.345   35.238   52.381
LGA    L   278_A      L   278_A     6.328     0    0.048   0.221    10.484   20.595   11.845
LGA    G   279_A      G   279_A     3.749     0    0.700   0.700     4.844   40.476   40.476
LGA    T   280_A      T   280_A     1.987     0    0.149   1.085     4.309   66.905   59.932
LGA    C   281_A      C   281_A     1.268     0    0.066   0.091     1.276   81.429   82.937
LGA    E   282_A      E   282_A     2.323     0    0.125   0.911     5.293   66.786   54.868
LGA    R   283_A      R   283_A     2.200     0    0.028   0.944     5.306   64.762   58.009
LGA    C   284_A      C   284_A     1.733     0    0.031   0.098     2.543   77.143   71.746
LGA    N   285_A      N   285_A     0.767     0    0.087   0.884     4.661   90.476   73.036
LGA    C   286_A      C   286_A     0.905     0    0.012   0.042     1.041   88.214   87.460
LGA    H   287_A      H   287_A     0.969     0    0.051   0.220     0.969   90.476   90.476
LGA    G   288_A      G   288_A     1.121     0    0.031   0.031     1.121   83.690   83.690
LGA    H   289_A      H   289_A     0.833     0    0.073   0.180     1.001   90.476   89.571
LGA    S   290_A      S   290_A     1.360     0    0.090   0.157     2.083   75.119   78.730
LGA    E   291_A      E   291_A     2.986     0    0.220   0.249     7.344   62.857   39.048
LGA    T   292_A      T   292_A     1.701     0    0.038   0.090     2.384   75.119   71.837
LGA    C   293_A      C   293_A     0.985     0    0.060   0.156     1.252   85.952   85.952
LGA    E   294_A      E   294_A     1.102     0    0.056   0.984     3.835   83.690   74.656
LGA    P   295_A      P   295_A     1.780     0    0.098   0.125     2.372   72.976   74.150
LGA    E   296_A      E   296_A     1.566     0    0.077   1.074     7.036   79.286   55.820
LGA    T   297_A      T   297_A     1.319     0    0.031   0.069     1.439   81.429   81.429
LGA    G   298_A      G   298_A     1.203     0    0.020   0.020     1.203   83.690   83.690
LGA    A   299_A      A   299_A     0.800     0    0.021   0.034     0.849   90.476   90.476
LGA    C   300_A      C   300_A     0.750     0    0.058   0.088     0.788   90.476   90.476
LGA    Q   301_A      Q   301_A     0.822     0    0.079   1.350     5.610   88.214   67.619
LGA    S   302_A      S   302_A     1.124     0    0.023   0.048     1.609   85.952   83.016
LGA    C   303_A      C   303_A     0.691     0    0.045   0.051     0.927   90.476   92.063
LGA    Q   304_A      Q   304_A     0.945     0    0.029   1.015     3.757   90.476   77.460
LGA    H   305_A      H   305_A     0.566     0    0.053   0.083     1.428   95.238   88.762
LGA    H   306_A      H   306_A     0.595     0    0.086   0.113     0.750   90.476   90.476
LGA    T   307_A      T   307_A     0.368     0    0.019   0.136     0.730   97.619   98.639
LGA    E   308_A      E   308_A     0.625     0    0.037   1.070     4.546   97.619   80.265
LGA    G   309_A      G   309_A     0.362     0    0.016   0.016     0.365  100.000  100.000
LGA    A   310_A      A   310_A     0.717     0    0.032   0.033     1.046   90.476   88.667
LGA    S   311_A      S   311_A     0.624     0    0.095   0.137     0.958   90.476   92.063
LGA    C   312_A      C   312_A     0.402     0    0.025   0.046     0.553   97.619   96.825
LGA    E   313_A      E   313_A     0.503     0    0.017   0.957     3.583   92.857   78.730
LGA    Q   314_A      Q   314_A     0.768     0    0.115   1.032     3.577   90.476   76.032
LGA    C   315_A      C   315_A     0.993     0    0.035   0.071     1.237   88.214   85.952
LGA    Q   316_A      Q   316_A     0.554     0    0.028   0.564     1.943   90.476   87.672
LGA    P   317_A      P   317_A     0.722     0    0.020   0.069     0.853   92.857   91.837
LGA    G   318_A      G   318_A     0.984     0    0.064   0.064     1.033   85.952   85.952
LGA    Y   319_A      Y   319_A     1.083     0    0.019   0.087     1.120   81.429   81.429
LGA    Y   320_A      Y   320_A     1.179     0    0.027   0.292     1.486   81.429   83.690
LGA    G   321_A      G   321_A     1.615     0    0.304   0.304     3.155   69.286   69.286
LGA    D   322_A      D   322_A     4.483     0    0.078   1.066    10.072   44.167   25.952
LGA    A   323_A      A   323_A     8.486     0    0.131   0.140    10.794    5.000    4.000
LGA    Q   324_A      Q   324_A    10.783     0    0.009   1.112    16.351    0.476    0.212
LGA    R   325_A      R   325_A     6.299     0    0.622   1.223     7.931   16.429   13.117
LGA    G   326_A      G   326_A     4.623     0    0.646   0.646     5.340   33.095   33.095
LGA    T   327_A      T   327_A     0.657     0    0.195   0.453     1.953   88.214   82.857
LGA    P   328_A      P   328_A     0.605     0    0.098   0.134     0.720   92.857   93.197
LGA    Q   329_A      Q   329_A     1.197     0    0.015   0.870     4.314   81.429   71.111
LGA    D   330_A      D   330_A     1.236     0    0.058   1.023     3.827   79.286   70.476
LGA    C   331_A      C   331_A     1.257     0    0.043   0.053     1.282   81.429   81.429
LGA    Q   332_A      Q   332_A     1.305     0    0.037   0.980     3.352   81.429   76.984
LGA    P   333_A      P   333_A     1.251     0    0.050   0.365     2.122   75.119   77.823
LGA    C   334_A      C   334_A     1.397     0    0.515   0.520     3.041   73.571   76.190
LGA    P   335_A      P   335_A     1.658     0    0.202   0.609     2.696   71.071   70.680
LGA    C   336_A      C   336_A     1.772     0    0.010   0.100     2.210   72.857   71.508
LGA    Y   337_A      Y   337_A     1.676     0    0.137   1.071     8.046   70.833   46.944
LGA    G   338_A      G   338_A     3.594     0    0.609   0.609     3.594   59.524   59.524
LGA    A   339_A      A   339_A     2.587     0    0.607   0.631     4.038   59.286   54.857
LGA    P   340_A      P   340_A     6.336     0    0.668   0.546     9.199   22.738   15.510
LGA    A   341_A      A   341_A     5.459     0    0.668   0.630     6.610   27.500   24.667
LGA    A   342_A      A   342_A     6.402     0    0.566   0.641     7.687   14.643   16.000
LGA    G   343_A      G   343_A     4.477     0    0.589   0.589     4.477   49.048   49.048
LGA    Q   344_A      Q   344_A     3.738     0    0.713   0.708     9.169   50.357   26.772
LGA    A   345_A      A   345_A     3.006     0    0.393   0.384     5.922   51.310   48.476
LGA    A   346_A      A   346_A     3.751     0    0.663   0.615     5.762   53.810   47.333
LGA    H   347_A      H   347_A     1.467     0    0.649   1.115     9.859   85.952   42.571
LGA    T   348_A      T   348_A     1.290     0    0.170   1.035     3.737   72.976   68.707
LGA    C   349_A      C   349_A     1.633     0    0.576   0.572     3.615   65.595   69.444
LGA    F   350_A      F   350_A     3.533     0    0.621   0.867     7.825   30.952   25.931
LGA    L   351_A      L   351_A    10.660     0    0.070   0.119    17.547    1.190    0.595
LGA    D   352_A      D   352_A    10.865     0    0.727   0.704    13.159    0.000    0.000
LGA    T   353_A      T   353_A    10.070     0    0.132   1.243    11.202    0.238    0.340
LGA    D   354_A      D   354_A    10.739     0    0.064   1.253    12.551    0.000    0.000
LGA    G   355_A      G   355_A     8.270     0    0.021   0.021     9.019    7.381    7.381
LGA    H   356_A      H   356_A     5.731     0    0.170   1.057    12.425   30.357   14.238
LGA    P   357_A      P   357_A     1.210     0    0.640   0.568     4.005   77.619   65.102
LGA    T   358_A      T   358_A     3.249     0    0.585   0.960     5.945   42.976   41.088
LGA    C   359_A      C   359_A     3.555     0    0.032   0.044     8.200   55.595   42.222
LGA    D   360_A      D   360_A     2.966     0    0.664   1.144     6.455   52.143   35.179
LGA    S   361_A      S   361_A     1.817     0    0.193   0.694     3.731   72.857   67.937
LGA    C   362_A      C   362_A     2.078     0    0.124   0.157     2.630   62.857   63.492
LGA    S   363_A      S   363_A     2.023     0    0.042   0.395     2.023   68.810   71.587
LGA    P   364_A      P   364_A     2.253     0    0.125   0.217     2.719   64.762   62.585
LGA    G   365_A      G   365_A     1.932     0    0.113   0.113     2.017   72.976   72.976
LGA    H   366_A      H   366_A     1.224     0    0.049   1.157     3.558   79.286   69.429
LGA    S   367_A      S   367_A     1.415     0    0.029   0.753     3.955   77.143   72.222
LGA    G   368_A      G   368_A     2.211     0    0.055   0.055     2.211   75.238   75.238
LGA    R   369_A      R   369_A     1.644     0    0.179   1.030     6.300   81.667   54.416
LGA    H   370_A      H   370_A     1.453     0    0.086   0.201     2.672   81.429   69.905
LGA    C   371_A      C   371_A     0.563     0    0.206   0.210     1.672   83.810   83.095
LGA    E   372_A      E   372_A     2.456     0    0.078   0.999     6.268   62.976   46.825
LGA    R   373_A      R   373_A     2.496     0    0.088   1.092     4.699   73.214   61.602
LGA    C   374_A      C   374_A     1.755     0    0.018   0.044     2.869   64.881   67.540
LGA    A   375_A      A   375_A     3.214     0    0.033   0.052     3.810   50.357   50.286
LGA    P   376_A      P   376_A     4.814     0    0.064   0.137     5.291   32.857   30.748
LGA    G   377_A      G   377_A     4.929     0    0.142   0.142     4.978   32.857   32.857
LGA    Y   378_A      Y   378_A     2.765     0    0.039   0.147     5.436   57.262   47.460
LGA    Y   379_A      Y   379_A     1.510     0    0.045   0.429     2.249   79.405   73.730
LGA    G   380_A      G   380_A     2.192     0    0.241   0.241     6.712   44.286   44.286
LGA    N   381_A      N   381_A     9.090     0    0.280   1.221    14.835    5.952    2.976
LGA    P   382_A      P   382_A    11.608     0    0.065   0.120    13.773    0.000    0.000
LGA    S   383_A      S   383_A    15.789     0    0.651   0.849    18.117    0.000    0.000
LGA    Q   384_A      Q   384_A    13.544     0    0.210   1.107    14.516    0.000    0.000
LGA    G   385_A      G   385_A    13.559     0    0.074   0.074    13.559    0.000    0.000
LGA    Q   386_A      Q   386_A    10.734     0    0.276   0.834    18.624    1.905    0.847
LGA    P   387_A      P   387_A     3.371     0    0.705   0.679     6.279   52.262   48.027
LGA    C   388_A      C   388_A     1.724     0    0.033   0.128     3.393   61.190   66.508
LGA    H   389_A      H   389_A     2.942     0    0.058   1.311     9.408   60.952   36.190
LGA    R   390_A      R   390_A     4.048     0    0.034   1.065     9.038   41.786   27.879
LGA    D   391_A      D   391_A     4.070     0    0.126   0.696     5.298   34.524   31.667

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      278    1112   1112  100.00    2100   2100  100.00               395
SUMMARY(RMSD_GDC):    14.115         14.056                 14.765           22.249   20.528

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  278  395    4.0    113    2.07    24.051    20.406     5.211

LGA_LOCAL      RMSD:   2.069  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.776  Number of assigned atoms:  278 
Std_ASGN_ATOMS RMSD:  14.115  Standard rmsd on all 278 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.637580 * X  +  -0.569648 * Y  +   0.518645 * Z  + -20.603554
  Y_new =  -0.461664 * X  +   0.821477 * Y  +   0.334728 * Z  + -24.836060
  Z_new =  -0.616732 * X  +  -0.026024 * Y  +  -0.786743 * Z  +  13.436721 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.514882  0.664584 -3.108526   [DEG: -144.0921   38.0779 -178.1054 ]
ZXZ:  2.143923  2.476311 -1.612968   [DEG:  122.8377  141.8822  -92.4163 ]
 
# END of job
