
#######################################################
#                                                     #
#                        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 ( 2214),  selected  275 , name one
# Molecule2: number of CA atoms  412 ( 3310),  selected  275 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:H  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   162     241_D - 405_D       4.99    32.08
  LCS_AVERAGE:     29.89

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70     268_D - 337_D       1.91    32.36
  LONGEST_CONTINUOUS_SEGMENT:    70     269_D - 338_D       1.98    32.39
  LONGEST_CONTINUOUS_SEGMENT:    70     292_D - 361_D       1.96    33.13
  LCS_AVERAGE:      8.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22     292_D - 313_D       0.90    32.74
  LONGEST_CONTINUOUS_SEGMENT:    22     316_D - 337_D       0.95    34.74
  LCS_AVERAGE:      2.57

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  275
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     N   132_H     N   132_D      5    9   70      3    7   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     A   133_H     A   133_D      6    9   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   134_H     S   134_D      6    9   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     L   135_H     L   135_D      6    9   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     F   136_H     F   136_D      6    9   70      5   11   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   137_H     S   137_D      6    9   70      5    8   18   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     I   138_H     I   138_D      6    9   70      5    9   14   19   28   32   38   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   139_H     S   139_D      6    9   70      3    6   13   15   22   28   32   42   49   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     T   140_H     T   140_D      6    9   70      4    7   13   15   18   22   26   29   35   41   44   50   56   59   61   64   68   70   72   72 
LCS_GDT     D   141_H     D   141_D      3    9   70      3    3    5    7   12   28   38   47   50   53   54   56   58   63   66   67   69   70   72   72 
LCS_GDT     D   142_H     D   142_D      3    9   70      3    3    9   15   18   22   33   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   143_H     S   143_D      3    9   70      3    3    9   15   18   22   25   33   46   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     F   144_H     F   144_D      4    9   70      4    4   15   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     A   145_H     A   145_D      4    9   70      4    4    6    8   22   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   146_H     S   146_D      4    9   70      4    4    9   15   18   35   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   147_H     S   147_D      4    9   70      4    4    9   15   18   22   33   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     W   148_H     W   148_D      3    9   70      3    3    9   17   25   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     F   149_H     F   149_D      3    9   70      1    3    7   15   25   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     E   150_H     E   150_D      3    3   70      0    3    4    5    6    6   11   30   46   50   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     M   151_H     M   151_D      3   15   70      1    3    3    5   12   17   32   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     D   152_H     D   152_D     11   15   70      4   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     C   153_H     C   153_D     11   15   70      5   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     P   154_H     P   154_D     11   15   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     N   155_H     N   155_D     11   15   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     V   156_H     V   156_D     11   15   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     E   157_H     E   157_D     11   15   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     A   158_H     A   158_D     11   15   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     L   159_H     L   159_D     11   15   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     V   160_H     V   160_D     11   15   70      6   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     L   161_H     L   161_D     11   15   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     N   162_H     N   162_D     11   15   70      3    8   14   22   30   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     I   163_H     I   163_D      5   15   70      3    7   14   22   25   32   38   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   164_H     S   164_D      3   15   70      1    4    9   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   165_H     S   165_D      3   15   70      1    7   19   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     S   166_H     S   166_D      3    8   70      3    3    4    6    8   10   19   23   27   35   53   55   57   63   66   67   69   70   72   72 
LCS_GDT     N   167_H     N   167_D      3   20   70      3    4    9   21   29   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     Y   168_H     Y   168_D     13   21   70      5   10   13   18   23   33   40   45   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     A   169_H     A   169_D     13   21   70      6   10   21   25   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     L   170_H     L   170_D     13   21   70      5   10   21   25   30   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     P   171_H     P   171_D     13   21   70      6   11   19   25   28   33   40   45   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     N   172_H     N   172_D     13   21   70      8   12   17   23   27   32   39   45   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     F   173_H     F   173_D     13   21   70      9   12   17   22   26   32   39   45   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     I   174_H     I   174_D     13   21   70      5   12   20   25   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     A   175_H     A   175_D     13   21   70      4   10   12   19   27   36   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     T   176_H     T   176_D     13   21   70      3   10   12   20   25   32   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     M   177_H     M   177_D     13   21   70      9   12   20   25   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     K   178_H     K   178_D     13   21   70      9   13   20   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     E   179_H     E   179_D     13   21   70      9   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     L   180_H     L   180_D     13   21   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     K   181_H     K   181_D     11   21   70      9   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     V   182_H     V   182_D     11   21   70     12   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     V   183_H     V   183_D     11   21   70      9   18   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     I   184_H     I   184_D     11   21   70      9   13   21   26   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     I   185_H     I   185_D     11   21   70      4   12   21   25   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     I   186_H     I   186_D     11   21   70      4    9   21   25   30   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     N   187_H     N   187_D     11   21   70      4    9   21   25   31   37   40   47   50   53   54   56   60   63   66   67   69   70   72   72 
LCS_GDT     H   188_H     H   188_D      3   21   70      3    3    7   15   23   31   37   41   44   49   53   56   60   63   66   67   69   70   72   72 
LCS_GDT     G   189_H     G   189_D      3   20   70      1    3    6   15   20   26   33   39   43   47   52   56   60   63   66   67   69   70   72   72 
LCS_GDT     L   190_H     L   190_D      3    5   70      3    3    3    4    7    8    9   11   20   24   32   38   46   54   58   65   69   70   72   72 
LCS_GDT     E   191_H     E   191_D      4    7   70      3    3    6    7   11   19   26   29   31   37   43   45   53   58   66   66   69   70   72   72 
LCS_GDT     P   192_H     P   192_D      4    8   70      4    4    6    8    8   12   17   23   29   33   42   45   50   54   60   66   69   70   72   72 
LCS_GDT     A   193_H     A   193_D      4    8   70      4    4    5    8   15   19   20   24   30   36   42   46   50   56   59   65   69   70   72   72 
LCS_GDT     K   194_H     K   194_D      5    8   70      4    4    7   12   17   22   26   31   38   44   48   54   60   63   66   67   69   70   72   72 
LCS_GDT     L   195_H     L   195_D      5    8   70      4    4    6    9   17   22   26   31   37   41   48   54   60   63   66   67   69   70   72   72 
LCS_GDT     T   196_H     T   196_D      5    8   70      3    4    6    8   17   22   27   33   41   44   48   54   58   63   66   67   69   70   72   72 
LCS_GDT     N   197_H     N   197_D      5    8   70      3    4    6   12   17   22   27   33   41   44   48   54   59   63   66   67   69   70   72   72 
LCS_GDT     L   198_H     L   198_D      5    8   70      3    5    7   12   17   22   28   37   43   48   52   55   60   63   66   67   69   70   72   72 
LCS_GDT     S   199_H     S   199_D      4    8   70      3    3    6   11   17   22   26   33   41   46   51   55   60   63   66   67   69   70   72   72 
LCS_GDT     C   200_H     C   200_D      4    6   70      3    3    4    7   12   19   24   29   32   40   51   55   60   63   66   67   69   70   72   72 
LCS_GDT     L   201_H     L   201_D      4    4   70      3    3    4    4   10   16   26   29   31   36   46   49   58   63   66   67   69   70   72   72 
LCS_GDT     S   202_H     S   202_D      4    4   59      3    3    4    4    9   10   13   20   24   30   35   39   47   54   58   67   68   69   72   72 
LCS_GDT     S   203_H     S   203_D      4    4   37      3    3    6    6    7    8   13   20   28   39   45   54   56   59   63   67   68   69   72   72 
LCS_GDT     L   204_H     L   204_D      3    3   40      3    3    6   68   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     P   205_H     P   205_D      3    5   40      3    3   42   57   83   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   206_H     N   206_D      4    5   40      4   13   26   43   71   90  100  110  121  130  137  143  148  154  156  158  161  165  169  172 
LCS_GDT     L   207_H     L   207_D      4    6   40      4    4    5   14   41   78   92  106  120  129  136  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   208_H     K   208_D      4    7   40      4    4    4    7   16   84   99  112  125  131  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     R   209_H     R   209_D      6    7   40      5    5    7   10   38   67   89   98  109  126  134  142  149  154  156  158  161  165  169  172 
LCS_GDT     I   210_H     I   210_D      6    7   40      5    5    6   14   38   48   79  102  112  126  134  142  149  154  156  158  161  165  169  172 
LCS_GDT     R   211_H     R   211_D      6    7   40      5    5   12   24   38   53   73   98  109  126  134  142  149  154  156  158  161  165  169  172 
LCS_GDT     F   212_H     F   212_D      6    7   40      5    5    7   10   21   33   68   84   95  113  126  136  142  150  154  157  161  165  169  172 
LCS_GDT     E   213_H     E   213_D      6    7   40      5    5    6    6   11   34   65   94  107  119  129  138  147  151  156  158  161  165  169  172 
LCS_GDT     K   214_H     K   214_D      6    7   40      3    5    6    7   18   28   44   64   92  103  118  124  137  147  151  156  161  165  169  172 
LCS_GDT     V   215_H     V   215_D      3    7   40      3    3    9   18   24   36   47   70   88  102  117  128  137  146  151  156  160  165  169  172 
LCS_GDT     S   216_H     S   216_D      3    6   40      3    4    8   18   24   30   41   53   73   94  108  120  135  145  150  155  159  164  167  172 
LCS_GDT     I   217_H     I   217_D      3    6   40      3    4    8   12   19   41   45   53   63   72   94  115  135  145  151  155  160  165  169  172 
LCS_GDT     S   218_H     S   218_D      3    6   40      3    3    4    6    7   17   26   30   32   41   49   54   72   88  105  114  125  141  159  170 
LCS_GDT     L   219_H     L   219_D      3    6   40      3    4    4    6   20   27   30   32   36   48   52   59   73   82   98  103  113  118  129  152 
LCS_GDT     L   220_H     L   220_D      3    4   40      3    4    4    5   20   27   30   32   36   43   52   59   63   82   87  103  113  128  145  154 
LCS_GDT     D   221_H     D   221_D      3    4   40      3    4    8   10   16   20   22   34   49   57   67   77   88  108  129  141  156  161  166  171 
LCS_GDT     I   222_H     I   222_D      3    4   40      3    3    8    9   16   22   28   67   80   97  112  130  138  146  153  156  160  165  169  172 
LCS_GDT     P   223_H     P   223_D      3    7   40      3    3    5   10   16   20   22   28   35   55   64   76  121  127  137  148  158  162  167  171 
LCS_GDT     K   224_H     K   224_D      4    7   40      3    4    4   20   28   34   53   67   80   93  105  111  134  142  153  155  160  165  169  172 
LCS_GDT     L   225_H     L   225_D      4    7   40      3    4    4    6   40   56   69   91  109  117  125  133  141  147  153  155  160  165  169  172 
LCS_GDT     G   226_H     G   226_D      4    7   40      3    4    4    8   40   54   69   84   98  109  125  130  138  142  150  153  159  164  167  172 
LCS_GDT     L   227_H     L   227_D      4    7   40      3    4    4    5    7   12   17   32   48   98  109  128  138  142  147  152  157  164  167  171 
LCS_GDT     K   228_H     K   228_D      4    8   40      3    3    6   10   14   20   22   32   78   95  109  117  134  141  150  153  157  163  167  171 
LCS_GDT     S   229_H     S   229_D      5    8   40      4    4    5   10   16   20   30   65   93  107  125  132  138  142  148  153  158  164  167  172 
LCS_GDT     L   230_H     L   230_D      5    8   40      4    4    6    7   17   47   77   91  119  130  137  143  147  154  156  158  161  165  169  172 
LCS_GDT     E   231_H     E   231_D      5    8   40      4    4    6    7   10   13   18   25   34   64   80   89  102  131  141  149  154  164  166  172 
LCS_GDT     K   232_H     K   232_D      5    8   40      4    4    6    7    9   12   17   23   30   46   56   68   80  103  123  138  147  158  165  172 
LCS_GDT     L   233_H     L   233_D      5    8   40      3    4    6    7    9   12   17   23   35   48  114  126  135  148  155  158  161  165  169  172 
LCS_GDT     S   234_H     S   234_D      4    8   40      4    4    6    7    9   12   16   23   27   45   52   62   88  122  131  134  153  160  165  170 
LCS_GDT     L   235_H     L   235_D      4    8  144      4    4    5    7    9   12   17   29   36   45   70   81   94  112  138  141  156  160  165  170 
LCS_GDT     W   236_H     W   236_D      4    7  146      4    4    4    7    8    9   17   23   36   45   70   81  104  112  126  134  156  160  165  170 
LCS_GDT     F   237_H     F   237_D      4    7  154      4    4    4    7    8    9   11   15   25   32   57   76   88  108  115  141  148  155  165  170 
LCS_GDT     C   238_H     C   238_D      4    7  155      3    4    4    7    8   28   44   61   92  103  118  129  137  147  152  157  161  165  169  172 
LCS_GDT     H   239_H     H   239_D      4    7  156      3    4    4    7   10   16   22   39   54   73   91  115  124  138  147  152  159  162  166  172 
LCS_GDT     V   240_H     V   240_D      4    7  160      3    4    7   13   18   25   35   43   54   67   74   93  111  124  136  145  151  159  165  171 
LCS_GDT     V   241_H     V   241_D      4    7  162      3    4    5   13   18   25   34   43   54   62   72   93  109  121  134  145  150  157  164  171 
LCS_GDT     D   242_H     D   242_D      4    7  162      3    4    4   13   18   25   34   42   54   59   68   79   88  103  117  130  139  153  161  170 
LCS_GDT     A   243_H     A   243_D      4    5  162      3    4    7   13   18   25   34   43   54   62   72   81   97  113  125  136  151  157  163  171 
LCS_GDT     L   247_H     L   247_D      4    5  162      4    5    5    5    6    8   10   13   13   18   24   30   36   50   58   70   80  106  112  127 
LCS_GDT     E   248_H     E   248_D      4    4  162      3    5    5    5   10   16   24   30   39   46   59   65   79   97  113  124  139  148  163  168 
LCS_GDT     D   249_H     D   249_D      4    4  162      4    5    5    9   16   28   41   53   69   93  105  117  133  145  153  156  160  165  169  172 
LCS_GDT     V   250_H     V   250_D      4    6  162      4    5    6   13   18   26   55   67   80   93  105  130  138  146  153  156  160  165  169  172 
LCS_GDT     S   251_H     S   251_D      3    6  162      3    3    4    6    7    7    8   19   21   38   43   80   90  126  137  145  149  157  163  171 
LCS_GDT     E   252_H     E   252_D      3   10  162      3    3    4   13   37   51   62   75   92  100  111  128  136  146  153  156  160  165  169  172 
LCS_GDT     T   253_H     T   253_D     10   63  162      8   14   36   57   83   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   254_H     L   254_D     10   63  162      8   30   55   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     Q   255_H     Q   255_D     10   63  162      8   19   39   68   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   256_H     S   256_D     10   63  162     12   24   49   71   87   97  108  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   257_H     L   257_D     10   63  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     Q   258_H     Q   258_D     10   63  162     10   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   259_H     E   259_D     10   63  162      9   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   260_H     I   260_D     10   63  162     10   32   56   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   261_H     E   261_D     10   63  162      6   27   52   71   83   97  108  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   262_H     I   262_D     10   63  162      5   24   47   71   83   94  108  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   263_H     D   263_D     10   63  162      4   12   42   66   83   91  107  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     Y   264_H     Y   264_D     10   63  162      3   12   26   57   74   87   97  115  123  131  136  143  149  154  156  158  161  165  169  172 
LCS_GDT     C   265_H     C   265_D     10   63  162      3   15   29   41   74   85   97  114  122  131  136  142  149  154  156  158  161  165  169  172 
LCS_GDT     Y   266_H     Y   266_D     10   63  162      5   24   39   60   81   87   97  115  123  131  136  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   267_H     N   267_D      3   69  162      3    3    7   24   47   78   95  108  121  129  136  142  149  154  156  158  161  165  169  172 
LCS_GDT     L   268_H     L   268_D      8   70  162      1   11   46   71   83   94  108  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   269_H     D   269_D      8   70  162      3   23   46   71   83   91  108  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   270_H     E   270_D     19   70  162      4   27   52   73   85   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   271_H     L   271_D     19   70  162      4   27   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     P   272_H     P   272_D     19   70  162      5   26   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     Y   273_H     Y   273_D     19   70  162      5   13   53   72   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     W   274_H     W   274_D     19   70  162      5   13   56   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   275_H     I   275_D     19   70  162     10   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   276_H     S   276_D     19   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     Q   277_H     Q   277_D     19   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     V   278_H     V   278_D     19   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     V   279_H     V   279_D     19   70  162     10   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   280_H     S   280_D     19   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   281_H     L   281_D     19   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   282_H     K   282_D     19   70  162     13   29   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   283_H     K   283_D     19   70  162     10   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   284_H     L   284_D     19   70  162     11   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   285_H     S   285_D     19   70  162      9   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     V   286_H     V   286_D     19   70  162     10   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     T   287_H     T   287_D     19   70  162      5   27   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   288_H     N   288_D     19   70  162      7   26   53   71   83   94  107  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     C   289_H     C   289_D     19   70  162      5   24   48   71   83   91  106  118  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   290_H     N   290_D     16   70  162      3   22   48   71   83   91  106  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   291_H     K   291_D      3   70  162      3    3    6   21   58   82  100  115  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   292_H     L   292_D     22   70  162      0   12   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     C   293_H     C   293_D     22   70  162      3   26   54   70   83   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     R   294_H     R   294_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     V   295_H     V   295_D     22   70  162      9   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   296_H     I   296_D     22   70  162      7   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   297_H     E   297_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     A   298_H     A   298_D     22   70  162      6   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   299_H     I   299_D     22   70  162      9   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     G   300_H     G   300_D     22   70  162      9   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   301_H     D   301_D     22   70  162      4   28   57   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   302_H     L   302_D     22   70  162     12   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     R   303_H     R   303_D     22   70  162      9   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   304_H     D   304_D     22   70  162      5   34   56   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   305_H     L   305_D     22   70  162      6   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   306_H     E   306_D     22   70  162     12   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     T   307_H     T   307_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   308_H     L   308_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     R   309_H     R   309_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   310_H     L   310_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   311_H     S   311_D     22   70  162     13   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   312_H     S   312_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     C   313_H     C   313_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     A   314_H     A   314_D     21   70  162      3   21   50   67   81   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   315_H     S   315_D      4   70  162      3    3    7   21   62   89  107  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   316_H     L   316_D     22   70  162      3   28   48   69   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   317_H     L   317_D     22   70  162      6   24   43   61   78   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   318_H     E   318_D     22   70  162     13   31   51   70   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   319_H     L   319_D     22   70  162      9   24   49   72   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     P   320_H     P   320_D     22   70  162      9   24   39   66   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   321_H     E   321_D     22   70  162     12   24   39   66   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     T   322_H     T   322_D     22   70  162     13   24   47   72   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   323_H     I   323_D     22   70  162     13   30   58   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   324_H     D   324_D     22   70  162     13   30   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     R   325_H     R   325_D     22   70  162     11   30   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   326_H     L   326_D     22   70  162     13   30   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   327_H     D   327_D     22   70  162     13   34   57   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   328_H     N   328_D     22   70  162     13   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   329_H     L   329_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     R   330_H     R   330_D     22   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     F   331_H     F   331_D     22   70  162     14   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   332_H     L   332_D     22   70  162     13   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   333_H     D   333_D     22   70  162     12   32   56   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     V   334_H     V   334_D     22   70  162     13   31   54   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   335_H     S   335_D     22   70  162     12   30   51   69   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     G   336_H     G   336_D     22   70  162     11   31   53   70   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     G   337_H     G   337_D     22   70  162      4   20   38   64   81   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     F   338_H     F   338_D     18   70  162      3    7   31   51   66   85  106  117  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     Q   339_H     Q   339_D      3   70  162      3    3    6   31   52   86  108  119  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   340_H     L   340_D      6   70  162      3    6   30   54   71   90  108  119  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   341_H     K   341_D      6   70  162      3   15   44   59   77   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   342_H     N   342_D      8   70  162      3   12   35   59   77   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   343_H     L   343_D      8   70  162      3   15   32   57   80   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     P   344_H     P   344_D      8   70  162      3   15   30   50   71   91  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   345_H     L   345_D     12   70  162      3   15   35   59   86   97  108  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   346_H     E   346_D     16   70  162     11   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   347_H     I   347_D     16   70  162      9   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     G   348_H     G   348_D     16   70  162     12   34   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   349_H     K   349_D     16   70  162      5   33   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   350_H     L   350_D     16   70  162      5   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   351_H     K   351_D     16   70  162     14   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   352_H     K   352_D     16   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   353_H     L   353_D     16   70  162     16   35   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   354_H     E   354_D     16   70  162     13   35   56   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   355_H     K   355_D     16   70  162     13   34   56   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   356_H     I   356_D     16   70  162     11   31   56   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   357_H     S   357_D     16   70  162      8   25   48   66   84   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     M   358_H     M   358_D     16   70  162      7   20   44   59   78   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   359_H     K   359_D     16   70  162      6   20   40   59   77   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   360_H     D   360_D     16   70  162      3   21   42   59   75   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     C   361_H     C   361_D     16   70  162      8   21   44   59   75   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     Y   362_H     Y   362_D     12   67  162      5   18   28   42   64   77   98  116  124  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     R   363_H     R   363_D      3   57  162      3    4   11   31   46   71  100  116  125  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     C   364_H     C   364_D      9   57  162      3    4    9   11   35   61   79  100  115  130  136  142  147  153  156  158  161  165  169  172 
LCS_GDT     E   365_H     E   365_D     12   57  162      3    8   20   35   50   82  100  112  125  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   366_H     L   366_D     12   57  162      3   16   39   65   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     P   367_H     P   367_D     12   57  162      5   16   39   59   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   368_H     D   368_D     12   57  162      5   15   35   56   87   97  107  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     S   369_H     S   369_D     12   57  162      5   15   35   59   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     V   370_H     V   370_D     12   57  162      9   31   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   371_H     K   371_D     12   57  162      5   30   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   372_H     N   372_D     12   57  162      5   30   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   373_H     L   373_D     12   57  162      7   31   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   374_H     E   374_D     12   57  162      5   30   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     N   375_H     N   375_D     12   38  162      3   15   21   39   83   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   376_H     L   376_D     12   38  162      3   30   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   377_H     E   377_D     12   38  162      7   31   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     V   378_H     V   378_D     11   28  162      7   31   59   73   87   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   379_H     K   379_D      4   17  162      3    8   26   51   75   94  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     C   380_H     C   380_D      4   17  162      3    8   30   55   77   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   381_H     D   381_D      4    7  162      3   12   15   25   38   43   62   80  103  118  134  142  147  153  156  158  161  165  169  172 
LCS_GDT     E   382_H     E   382_D      4    6  162      3    4    5   20   38   54   82  104  123  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     D   383_H     D   383_D      4    6  162      3    6   10   13   51   79   98  113  125  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     T   384_H     T   384_D      4    5  162      3    4   20   35   48   58   86  106  122  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     A   385_H     A   385_D      4    5  162      3    4    5    6    9   33   41   50   77   84   97  111  123  132  137  149  157  161  164  167 
LCS_GDT     F   386_H     F   386_D      4    4  162      3    5   21   36   42   51   65   79  102  115  126  138  147  150  154  157  161  163  169  172 
LCS_GDT     L   387_H     L   387_D      4    4  162      3   20   36   57   78   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     W   388_H     W   388_D      3    3  162      3   24   35   55   75   95  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   389_H     K   389_D      3    3  162      4   20   31   44   58   86  104  117  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     I   390_H     I   390_D      4    4  162      3    3   11   31   51   77  106  119  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     L   391_H     L   391_D      4    5  162      3    3   19   32   73   97  105  119  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   392_H     K   392_D      4    5  162      4   11   34   53   83   97  109  120  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     P   393_H     P   393_D      4    5  162      4    4    5    6   29   78   99  106  119  130  136  142  147  154  156  158  161  165  169  172 
LCS_GDT     E   394_H     E   394_D      4    5  162      4    5   10   13   16   26   37   50   78  102  114  121  128  138  148  155  158  164  167  171 
LCS_GDT     M   395_H     M   395_D      4    7  162      4    5   15   39   66   82   99  111  122  130  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     K   396_H     K   396_D      3    7  162      3    5    8   14   31   58   75   95  114  123  132  142  147  154  156  158  161  164  167  171 
LCS_GDT     N   397_H     N   397_D      4    7  162      3    4   13   36   55   69   94  109  119  130  138  143  149  154  156  158  161  164  169  171 
LCS_GDT     L   398_H     L   398_D      4    7  162      3    6   10   36   55   71   94  109  121  130  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     T   399_H     T   399_D      4    7  162      3    6   10   18   28   56   77   94  114  127  136  143  149  154  156  158  161  164  169  171 
LCS_GDT     I   400_H     I   400_D      4    7  162      3    4    5    9   21   41   61   88  114  127  132  143  149  154  156  158  161  165  169  172 
LCS_GDT     T   401_H     T   401_D      3    7  162      3    6   10   15   35   51   69   97  120  130  138  143  149  154  156  158  161  164  169  171 
LCS_GDT     E   402_H     E   402_D      3    6  162      3   20   31   48   73   90  107  119  126  132  138  143  149  154  156  158  161  165  169  172 
LCS_GDT     E   403_H     E   403_D      3    6  162      3    4    5   13   22   27   44   64   88  106  117  132  139  146  151  156  159  163  168  171 
LCS_GDT     K   404_H     K   404_D      3    6  162      3    4    6   13   22   35   48   75   88  106  122  134  141  146  151  156  159  163  168  171 
LCS_GDT     T   405_H     T   405_D      4    6  162      3    4    5    7   13   20   31   44   54   71  101  113  127  139  143  148  156  158  162  166 
LCS_GDT     E   406_H     E   406_D      4    6  161      3    4    4    5    5    7   10   11   11   11   28   31   41   50   58   69   83   97  116  140 
LCS_GDT     H   407_H     H   407_D      4    6  161      3    4    4    4    5    6   10   11   11   14   16   31   39   50   56   66   72   87  100  105 
LCS_GDT     N   408_H     N   408_D      4    5  141      3    4    4    4    4    5    6    7    8   10   11   27   31   35   37   40   43   47   53   55 
LCS_GDT     L   409_H     L   409_D      3    5   10      0    3    3    4    4    5    5    5    5    6    8   10   10   12   37   40   43   47   53   55 
LCS_AVERAGE  LCS_A:  13.73  (   2.57    8.73   29.89 )

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     16     35     59     73     87     97    109    120    126    132    138    143    149    154    156    158    161    165    169    172 
GDT PERCENT_AT   3.88   8.50  14.32  17.72  21.12  23.54  26.46  29.13  30.58  32.04  33.50  34.71  36.17  37.38  37.86  38.35  39.08  40.05  41.02  41.75
GDT RMS_LOCAL    0.35   0.62   1.02   1.19   1.48   1.72   2.07   2.30   2.44   2.64   2.87   3.03   3.31   3.49   3.56   3.67   3.86   4.35   4.49   4.82
GDT RMS_ALL_AT  33.09  32.96  33.06  33.00  33.48  33.44  33.47  33.03  32.99  32.92  33.07  33.24  32.44  32.59  32.60  32.43  32.13  31.75  31.80  31.67

# Checking swapping
#   possible swapping detected:  F   136_H      F   136_D
#   possible swapping detected:  F   144_H      F   144_D
#   possible swapping detected:  F   149_H      F   149_D
#   possible swapping detected:  F   173_H      F   173_D
#   possible swapping detected:  E   179_H      E   179_D
#   possible swapping detected:  E   191_H      E   191_D
#   possible swapping detected:  F   212_H      F   212_D
#   possible swapping detected:  E   213_H      E   213_D
#   possible swapping detected:  E   248_H      E   248_D
#   possible swapping detected:  E   252_H      E   252_D
#   possible swapping detected:  E   259_H      E   259_D
#   possible swapping detected:  E   261_H      E   261_D
#   possible swapping detected:  D   263_H      D   263_D
#   possible swapping detected:  Y   264_H      Y   264_D
#   possible swapping detected:  Y   266_H      Y   266_D
#   possible swapping detected:  D   269_H      D   269_D
#   possible swapping detected:  E   270_H      E   270_D
#   possible swapping detected:  Y   273_H      Y   273_D
#   possible swapping detected:  E   297_H      E   297_D
#   possible swapping detected:  F   331_H      F   331_D
#   possible swapping detected:  F   338_H      F   338_D
#   possible swapping detected:  Y   362_H      Y   362_D
#   possible swapping detected:  E   365_H      E   365_D
#   possible swapping detected:  D   381_H      D   381_D
#   possible swapping detected:  E   403_H      E   403_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N   132_H      N   132_D    65.583     0    0.703   1.223    67.734    0.000    0.000
LGA    A   133_H      A   133_D    62.130     0    0.134   0.165    63.903    0.000    0.000
LGA    S   134_H      S   134_D    56.077     0    0.045   0.649    58.229    0.000    0.000
LGA    L   135_H      L   135_D    55.167     0    0.090   1.016    58.174    0.000    0.000
LGA    F   136_H      F   136_D    58.413     0    0.105   1.246    64.331    0.000    0.000
LGA    S   137_H      S   137_D    57.667     0    0.215   0.525    60.072    0.000    0.000
LGA    I   138_H      I   138_D    60.669     0    0.552   1.497    62.630    0.000    0.000
LGA    S   139_H      S   139_D    59.120     0    0.073   0.746    61.680    0.000    0.000
LGA    T   140_H      T   140_D    61.282     0    0.647   1.337    62.768    0.000    0.000
LGA    D   141_H      D   141_D    66.828     0    0.124   1.196    72.379    0.000    0.000
LGA    D   142_H      D   142_D    68.872     0    0.677   0.699    72.885    0.000    0.000
LGA    S   143_H      S   143_D    74.728     0    0.693   0.624    76.549    0.000    0.000
LGA    F   144_H      F   144_D    73.870     0    0.288   1.386    74.254    0.000    0.000
LGA    A   145_H      A   145_D    76.359     0    0.732   0.694    78.905    0.000    0.000
LGA    S   146_H      S   146_D    73.952     0    0.357   0.711    76.018    0.000    0.000
LGA    S   147_H      S   147_D    79.581     0    0.237   0.615    84.178    0.000    0.000
LGA    W   148_H      W   148_D    77.842     0    0.589   1.311    79.799    0.000    0.000
LGA    F   149_H      F   149_D    79.402     0    0.668   1.022    80.040    0.000    0.000
LGA    E   150_H      E   150_D    74.492     0    0.638   0.536    76.368    0.000    0.000
LGA    M   151_H      M   151_D    71.318     0    0.683   0.504    72.374    0.000    0.000
LGA    D   152_H      D   152_D    71.261     0    0.645   0.904    75.005    0.000    0.000
LGA    C   153_H      C   153_D    66.326     0    0.198   0.834    67.679    0.000    0.000
LGA    P   154_H      P   154_D    63.079     0    0.036   0.089    66.702    0.000    0.000
LGA    N   155_H      N   155_D    59.007     0    0.054   0.384    62.453    0.000    0.000
LGA    V   156_H      V   156_D    57.206     0    0.021   1.082    58.496    0.000    0.000
LGA    E   157_H      E   157_D    51.557     0    0.152   0.550    53.462    0.000    0.000
LGA    A   158_H      A   158_D    50.770     0    0.094   0.099    53.564    0.000    0.000
LGA    L   159_H      L   159_D    54.077     0    0.113   0.224    58.459    0.000    0.000
LGA    V   160_H      V   160_D    52.799     0    0.077   0.076    55.562    0.000    0.000
LGA    L   161_H      L   161_D    56.005     0    0.508   0.492    59.547    0.000    0.000
LGA    N   162_H      N   162_D    54.051     0    0.174   0.738    56.813    0.000    0.000
LGA    I   163_H      I   163_D    55.473     0    0.346   1.355    57.360    0.000    0.000
LGA    S   164_H      S   164_D    60.905     0    0.690   0.851    62.825    0.000    0.000
LGA    S   165_H      S   165_D    64.012     0    0.612   0.858    66.299    0.000    0.000
LGA    S   166_H      S   166_D    68.171     0    0.612   0.763    71.751    0.000    0.000
LGA    N   167_H      N   167_D    68.288     0    0.143   1.182    72.284    0.000    0.000
LGA    Y   168_H      Y   168_D    68.373     0    0.291   0.379    69.940    0.000    0.000
LGA    A   169_H      A   169_D    69.004     0    0.228   0.308    71.181    0.000    0.000
LGA    L   170_H      L   170_D    66.195     0    0.049   0.963    69.021    0.000    0.000
LGA    P   171_H      P   171_D    70.109     0    0.047   0.336    70.407    0.000    0.000
LGA    N   172_H      N   172_D    70.588     0    0.087   0.781    76.063    0.000    0.000
LGA    F   173_H      F   173_D    69.499     0    0.052   1.038    74.816    0.000    0.000
LGA    I   174_H      I   174_D    63.954     0    0.127   0.647    66.169    0.000    0.000
LGA    A   175_H      A   175_D    62.857     0    0.102   0.100    63.711    0.000    0.000
LGA    T   176_H      T   176_D    64.131     0    0.026   0.178    67.612    0.000    0.000
LGA    M   177_H      M   177_D    60.607     0    0.280   1.070    65.385    0.000    0.000
LGA    K   178_H      K   178_D    58.640     0    0.111   0.933    67.935    0.000    0.000
LGA    E   179_H      E   179_D    54.285     0    0.052   1.039    56.192    0.000    0.000
LGA    L   180_H      L   180_D    52.837     0    0.011   0.102    54.858    0.000    0.000
LGA    K   181_H      K   181_D    47.781     0    0.124   0.235    49.489    0.000    0.000
LGA    V   182_H      V   182_D    47.157     0    0.110   0.195    49.780    0.000    0.000
LGA    V   183_H      V   183_D    50.512     0    0.098   0.168    53.592    0.000    0.000
LGA    I   184_H      I   184_D    49.069     0    0.154   0.188    51.591    0.000    0.000
LGA    I   185_H      I   185_D    52.620     0    0.512   0.963    56.999    0.000    0.000
LGA    I   186_H      I   186_D    50.026     0    0.072   0.095    52.164    0.000    0.000
LGA    N   187_H      N   187_D    51.895     0    0.342   0.871    53.186    0.000    0.000
LGA    H   188_H      H   188_D    55.559     0    0.706   1.181    56.678    0.000    0.000
LGA    G   189_H      G   189_D    59.494     0    0.634   0.634    60.488    0.000    0.000
LGA    L   190_H      L   190_D    63.570     0    0.592   1.060    68.176    0.000    0.000
LGA    E   191_H      E   191_D    64.495     0    0.171   1.202    65.435    0.000    0.000
LGA    P   192_H      P   192_D    64.781     0    0.205   0.268    66.371    0.000    0.000
LGA    A   193_H      A   193_D    65.228     0    0.167   0.204    65.584    0.000    0.000
LGA    K   194_H      K   194_D    66.818     0    0.116   1.058    69.584    0.000    0.000
LGA    L   195_H      L   195_D    68.139     0    0.080   0.207    68.875    0.000    0.000
LGA    T   196_H      T   196_D    70.115     0    0.635   0.576    73.496    0.000    0.000
LGA    N   197_H      N   197_D    70.957     0    0.377   0.473    73.673    0.000    0.000
LGA    L   198_H      L   198_D    66.176     0    0.599   1.332    68.050    0.000    0.000
LGA    S   199_H      S   199_D    68.204     0    0.556   0.706    72.169    0.000    0.000
LGA    C   200_H      C   200_D    64.263     0    0.433   0.751    65.751    0.000    0.000
LGA    L   201_H      L   201_D    62.098     0    0.027   0.097    66.426    0.000    0.000
LGA    S   202_H      S   202_D    60.924     0    0.154   0.184    65.156    0.000    0.000
LGA    S   203_H      S   203_D    55.478     0    0.463   0.762    57.712    0.000    0.000
LGA    L   204_H      L   204_D     2.890     0    0.517   1.228     5.300   50.833   40.476
LGA    P   205_H      P   205_D     3.326     0    0.608   0.587     5.461   51.905   43.197
LGA    N   206_H      N   206_D     5.549     0    0.245   0.393     9.137   24.048   14.643
LGA    L   207_H      L   207_D     6.521     0    0.506   1.398    12.645   21.905   11.548
LGA    K   208_H      K   208_D     4.809     0    0.640   0.955     9.189   25.119   23.492
LGA    R   209_H      R   209_D     7.733     0    0.634   1.284    17.106    8.690    3.290
LGA    I   210_H      I   210_D     8.496     0    0.099   0.097    12.988    4.524    2.262
LGA    R   211_H      R   211_D     8.280     0    0.057   1.058    13.692    4.286    2.511
LGA    F   212_H      F   212_D    10.830     0    0.120   1.058    16.367    0.000    0.000
LGA    E   213_H      E   213_D     9.743     0    0.564   0.787    11.424    0.357    0.635
LGA    K   214_H      K   214_D    12.809     0    0.461   0.982    17.729    0.000    0.000
LGA    V   215_H      V   215_D    13.967     0    0.581   1.415    15.834    0.000    0.000
LGA    S   216_H      S   216_D    15.727     0    0.242   0.600    17.426    0.000    0.000
LGA    I   217_H      I   217_D    14.118     0    0.556   0.528    15.261    0.000    0.357
LGA    S   218_H      S   218_D    18.732     0    0.116   0.150    22.884    0.000    0.000
LGA    L   219_H      L   219_D    16.874     0    0.307   1.359    19.653    0.000    0.000
LGA    L   220_H      L   220_D    18.334     0    0.596   0.702    23.183    0.000    0.000
LGA    D   221_H      D   221_D    14.636     0    0.595   0.824    15.480    0.000    0.000
LGA    I   222_H      I   222_D    10.431     0    0.628   0.709    11.898    0.000    1.726
LGA    P   223_H      P   223_D    12.272     0    0.654   0.540    13.741    0.000    0.000
LGA    K   224_H      K   224_D    10.698     0    0.041   0.972    14.994    0.238    0.106
LGA    L   225_H      L   225_D     8.233     0    0.592   1.357     8.810    4.881    9.643
LGA    G   226_H      G   226_D     9.347     0    0.385   0.385     9.347    2.976    2.976
LGA    L   227_H      L   227_D     9.805     0    0.337   0.319    12.175    0.595    0.298
LGA    K   228_H      K   228_D    10.629     0    0.688   0.754    16.565    0.000    0.000
LGA    S   229_H      S   229_D     9.370     0    0.516   0.780    10.455    2.262    1.746
LGA    L   230_H      L   230_D     5.594     0    0.149   1.367     6.552   18.333   26.905
LGA    E   231_H      E   231_D    10.059     0    0.041   1.039    17.123    0.714    0.317
LGA    K   232_H      K   232_D    11.196     0    0.626   1.088    22.073    0.119    0.053
LGA    L   233_H      L   233_D     9.214     0    0.048   0.093    11.071    0.476    4.286
LGA    S   234_H      S   234_D    12.651     0    0.608   0.886    14.116    0.000    0.000
LGA    L   235_H      L   235_D    13.492     0    0.056   0.126    17.822    0.000    0.000
LGA    W   236_H      W   236_D    12.819     0    0.045   1.158    14.529    0.000    0.000
LGA    F   237_H      F   237_D    14.352     0    0.339   1.253    22.707    0.000    0.000
LGA    C   238_H      C   238_D    11.454     0    0.213   0.846    12.074    0.000    2.460
LGA    H   239_H      H   239_D    15.017     0    0.072   0.958    24.136    0.000    0.000
LGA    V   240_H      V   240_D    17.246     0    0.468   1.309    19.799    0.000    0.000
LGA    V   241_H      V   241_D    18.659     0    0.692   0.593    18.745    0.000    0.000
LGA    D   242_H      D   242_D    19.960     0    0.421   0.681    24.971    0.000    0.000
LGA    A   243_H      A   243_D    18.154     0    0.149   0.182    18.794    0.000    0.000
LGA    L   247_H      L   247_D    17.088     0    0.120   0.382    18.285    0.000    0.000
LGA    E   248_H      E   248_D    14.404     0    0.040   0.950    19.565    0.000    0.000
LGA    D   249_H      D   249_D     9.905     0    0.671   0.618    11.454    0.238    0.893
LGA    V   250_H      V   250_D     9.880     0    0.670   1.344    11.670    0.595    1.088
LGA    S   251_H      S   251_D    12.776     0    0.636   0.722    16.175    0.000    0.000
LGA    E   252_H      E   252_D     8.914     0    0.304   1.251    14.408   10.357    4.603
LGA    T   253_H      T   253_D     3.456     0    0.598   0.485     6.675   38.214   34.354
LGA    L   254_H      L   254_D     1.279     0    0.153   0.873     4.323   72.976   62.619
LGA    Q   255_H      Q   255_D     3.161     0    0.072   1.135     9.205   50.476   34.286
LGA    S   256_H      S   256_D     3.078     0    0.091   0.655     3.719   57.262   56.190
LGA    L   257_H      L   257_D     1.047     0    0.040   0.227     1.541   79.286   83.810
LGA    Q   258_H      Q   258_D     1.534     0    0.062   0.558     3.004   77.143   67.831
LGA    E   259_H      E   259_D     1.858     0    0.085   0.144     3.386   70.833   62.540
LGA    I   260_H      I   260_D     2.085     0    0.116   1.138     2.932   68.810   65.833
LGA    E   261_H      E   261_D     2.818     0    0.158   0.248     3.841   51.905   50.106
LGA    I   262_H      I   262_D     3.617     0    0.559   1.022     5.285   43.452   44.702
LGA    D   263_H      D   263_D     4.180     0    0.057   1.020     6.079   29.405   32.560
LGA    Y   264_H      Y   264_D     6.246     0    0.027   0.214     8.437   15.952   11.190
LGA    C   265_H      C   265_D     6.806     0    0.352   0.813     7.489   13.452   18.413
LGA    Y   266_H      Y   266_D     6.453     0    0.207   1.159    10.181   14.286   10.317
LGA    N   267_H      N   267_D     7.183     0    0.574   1.128     8.761   13.690   11.488
LGA    L   268_H      L   268_D     3.678     0    0.266   1.100     8.963   38.810   27.500
LGA    D   269_H      D   269_D     3.881     0    0.701   1.098     5.378   39.048   37.500
LGA    E   270_H      E   270_D     2.696     0    0.090   0.191     2.696   60.952   64.021
LGA    L   271_H      L   271_D     2.186     0    0.030   1.312     3.563   64.762   63.214
LGA    P   272_H      P   272_D     1.742     0    0.037   0.055     1.971   72.857   77.823
LGA    Y   273_H      Y   273_D     2.670     0    0.077   1.303     7.273   60.952   44.921
LGA    W   274_H      W   274_D     2.247     0    0.049   1.091    11.838   68.810   32.347
LGA    I   275_H      I   275_D     0.800     0    0.026   1.286     3.118   92.976   79.286
LGA    S   276_H      S   276_D     0.495     0    0.009   0.086     0.760   97.619   95.238
LGA    Q   277_H      Q   277_D     0.408     0    0.109   0.126     1.240  100.000   94.762
LGA    V   278_H      V   278_D     0.424     0    0.122   0.126     1.080   92.976   95.986
LGA    V   279_H      V   279_D     0.624     0    0.043   0.090     1.069   90.595   90.544
LGA    S   280_H      S   280_D     0.568     0    0.022   0.564     2.669   92.857   86.508
LGA    L   281_H      L   281_D     0.450     0    0.063   0.264     1.287   92.976   94.107
LGA    K   282_H      K   282_D     1.397     0    0.161   1.020     2.465   88.333   81.005
LGA    K   283_H      K   283_D     0.867     0    0.096   0.878     2.676   88.214   78.095
LGA    L   284_H      L   284_D     1.313     0    0.030   1.051     3.667   77.143   73.452
LGA    S   285_H      S   285_D     2.036     0    0.094   0.652     2.504   64.881   64.841
LGA    V   286_H      V   286_D     2.350     0    0.547   0.980     4.145   61.071   59.864
LGA    T   287_H      T   287_D     2.244     0    0.033   0.979     3.710   55.714   57.483
LGA    N   288_H      N   288_D     3.639     0    0.071   1.096     6.104   42.262   41.429
LGA    C   289_H      C   289_D     4.522     0    0.360   0.464     5.387   31.548   33.413
LGA    N   290_H      N   290_D     4.365     0    0.153   0.165     5.103   35.714   32.917
LGA    K   291_H      K   291_D     5.092     0    0.638   0.925    14.432   31.786   15.926
LGA    L   292_H      L   292_D     1.788     0    0.265   1.064     8.560   63.452   42.143
LGA    C   293_H      C   293_D     2.266     0    0.553   0.731     5.243   66.905   56.190
LGA    R   294_H      R   294_D     0.687     0    0.079   1.167     3.870   90.595   74.502
LGA    V   295_H      V   295_D     1.233     0    0.000   0.072     2.156   85.952   79.184
LGA    I   296_H      I   296_D     1.365     0    0.037   1.366     3.723   85.952   73.690
LGA    E   297_H      E   297_D     0.691     0    0.100   0.115     2.023   88.214   82.698
LGA    A   298_H      A   298_D     1.095     0    0.045   0.046     1.307   83.690   83.238
LGA    I   299_H      I   299_D     1.205     0    0.063   1.330     3.841   81.429   70.595
LGA    G   300_H      G   300_D     2.038     0    0.052   0.052     2.474   66.786   66.786
LGA    D   301_H      D   301_D     2.128     0    0.109   0.139     3.329   70.833   63.155
LGA    L   302_H      L   302_D     0.828     0    0.253   1.353     3.353   85.952   78.929
LGA    R   303_H      R   303_D     0.721     0    0.609   1.024     4.257   80.476   74.156
LGA    D   304_H      D   304_D     1.675     0    0.313   0.764     4.827   81.548   62.143
LGA    L   305_H      L   305_D     1.222     0    0.089   0.312     1.798   77.143   79.286
LGA    E   306_H      E   306_D     0.995     0    0.125   0.879     4.318   90.476   70.847
LGA    T   307_H      T   307_D     0.457     0    0.029   0.083     0.839   92.857   91.837
LGA    L   308_H      L   308_D     0.895     0    0.013   0.107     1.482   90.476   85.952
LGA    R   309_H      R   309_D     0.901     0    0.081   0.831     1.938   83.810   82.381
LGA    L   310_H      L   310_D     1.663     0    0.471   0.456     3.325   69.286   70.060
LGA    S   311_H      S   311_D     0.902     0    0.054   0.515     1.734   81.548   83.016
LGA    S   312_H      S   312_D     1.668     0    0.115   0.114     2.571   69.048   71.746
LGA    C   313_H      C   313_D     2.120     0    0.347   0.775     2.702   64.881   69.127
LGA    A   314_H      A   314_D     2.834     0    0.268   0.274     3.957   53.810   53.048
LGA    S   315_H      S   315_D     3.742     0    0.631   0.705     7.527   57.619   43.175
LGA    L   316_H      L   316_D     2.157     0    0.308   0.962     9.197   57.976   36.905
LGA    L   317_H      L   317_D     3.534     0    0.585   1.070     8.573   59.405   36.250
LGA    E   318_H      E   318_D     1.658     0    0.054   0.543     3.417   68.810   64.127
LGA    L   319_H      L   319_D     2.075     0    0.152   1.434     4.912   64.881   60.714
LGA    P   320_H      P   320_D     2.742     0    0.025   0.339     2.856   59.048   59.320
LGA    E   321_H      E   321_D     2.710     0    0.099   1.345     4.149   57.143   54.127
LGA    T   322_H      T   322_D     2.349     0    0.009   0.060     2.802   68.810   64.898
LGA    I   323_H      I   323_D     1.436     0    0.015   0.631     1.940   81.548   81.667
LGA    D   324_H      D   324_D     1.640     0    0.047   0.230     1.886   72.857   72.857
LGA    R   325_H      R   325_D     1.482     0    0.023   0.741     3.749   79.286   66.926
LGA    L   326_H      L   326_D     1.355     0    0.141   0.129     1.636   79.286   83.750
LGA    D   327_H      D   327_D     1.776     0    0.082   0.179     3.056   77.143   68.155
LGA    N   328_H      N   328_D     0.705     0    0.046   0.170     1.609   92.976   89.524
LGA    L   329_H      L   329_D     0.441     0    0.008   0.194     0.854   95.238   92.857
LGA    R   330_H      R   330_D     0.679     0    0.065   1.425     7.666   88.214   65.238
LGA    F   331_H      F   331_D     0.776     0    0.029   1.153     5.345   90.476   68.788
LGA    L   332_H      L   332_D     0.919     0    0.035   0.114     1.862   85.952   82.619
LGA    D   333_H      D   333_D     0.892     0    0.050   0.141     1.368   90.476   87.083
LGA    V   334_H      V   334_D     1.467     0    0.113   0.099     2.371   75.119   75.374
LGA    S   335_H      S   335_D     1.982     0    0.066   0.130     2.033   72.857   71.508
LGA    G   336_H      G   336_D     1.739     0    0.284   0.284     2.520   66.905   66.905
LGA    G   337_H      G   337_D     3.118     0    0.520   0.520     3.473   51.786   51.786
LGA    F   338_H      F   338_D     5.192     0    0.556   0.525     7.492   23.452   17.835
LGA    Q   339_H      Q   339_D     4.376     0    0.708   0.563    11.342   54.762   27.937
LGA    L   340_H      L   340_D     4.640     0    0.118   1.424     9.337   29.286   17.560
LGA    K   341_H      K   341_D     4.035     0    0.492   1.141     5.305   47.262   39.788
LGA    N   342_H      N   342_D     3.190     0    0.027   1.031     4.419   48.333   48.452
LGA    L   343_H      L   343_D     2.969     0    0.191   1.438     4.797   53.571   52.202
LGA    P   344_H      P   344_D     3.343     0    0.661   0.637     3.903   48.333   49.048
LGA    L   345_H      L   345_D     3.414     0    0.068   0.930     6.006   57.381   43.333
LGA    E   346_H      E   346_D     0.534     0    0.210   0.892     4.734   90.833   73.862
LGA    I   347_H      I   347_D     0.493     0    0.020   0.043     1.094   97.619   94.107
LGA    G   348_H      G   348_D     0.699     0    0.520   0.520     1.905   88.452   88.452
LGA    K   349_H      K   349_D     1.041     0    0.150   0.226     1.632   79.286   86.561
LGA    L   350_H      L   350_D     1.354     0    0.146   1.003     3.806   79.286   75.595
LGA    K   351_H      K   351_D     1.065     0    0.206   1.030     5.753   79.286   62.646
LGA    K   352_H      K   352_D     1.105     0    0.006   0.293     2.885   83.690   77.831
LGA    L   353_H      L   353_D     0.941     0    0.035   0.066     1.027   88.214   89.345
LGA    E   354_H      E   354_D     1.456     0    0.194   0.626     2.487   77.143   76.720
LGA    K   355_H      K   355_D     1.596     0    0.039   0.607     4.820   79.405   63.862
LGA    I   356_H      I   356_D     1.007     0    0.074   1.147     2.303   77.381   76.310
LGA    S   357_H      S   357_D     2.376     0    0.101   0.680     4.298   66.786   61.508
LGA    M   358_H      M   358_D     3.233     0    0.205   1.040     4.476   45.119   45.238
LGA    K   359_H      K   359_D     3.953     0    0.676   0.842     6.007   40.714   39.259
LGA    D   360_H      D   360_D     4.093     0    0.264   1.215     8.443   38.690   25.714
LGA    C   361_H      C   361_D     3.922     0    0.453   0.818     4.223   46.786   44.603
LGA    Y   362_H      Y   362_D     6.239     0    0.559   1.309     7.922   15.714   20.714
LGA    R   363_H      R   363_D     5.622     0    0.638   1.123    14.587   30.595   12.338
LGA    C   364_H      C   364_D     6.795     0    0.315   0.407    10.359   23.452   15.873
LGA    E   365_H      E   365_D     4.877     0    0.020   0.806     7.414   31.786   22.063
LGA    L   366_H      L   366_D     2.619     0    0.079   1.354     4.278   53.571   55.774
LGA    P   367_H      P   367_D     2.944     0    0.114   0.297     2.944   59.048   59.320
LGA    D   368_H      D   368_D     3.599     0    0.043   0.729     4.482   48.333   42.738
LGA    S   369_H      S   369_D     2.815     0    0.022   0.648     3.185   61.190   58.651
LGA    V   370_H      V   370_D     0.995     0    0.073   1.204     3.123   83.810   76.122
LGA    K   371_H      K   371_D     2.054     0    0.073   0.752     5.792   66.786   50.423
LGA    N   372_H      N   372_D     1.772     0    0.125   0.388     2.533   72.857   68.869
LGA    L   373_H      L   373_D     1.431     0    0.074   0.086     2.227   72.976   80.595
LGA    E   374_H      E   374_D     1.781     0    0.658   0.803     3.778   72.976   64.339
LGA    N   375_H      N   375_D     3.086     0    0.191   0.342     5.627   59.167   45.536
LGA    L   376_H      L   376_D     1.429     0    0.140   0.972     2.872   83.810   78.512
LGA    E   377_H      E   377_D     1.782     0    0.659   1.141     5.424   64.048   48.466
LGA    V   378_H      V   378_D     2.623     0    0.053   0.117     7.341   57.976   41.361
LGA    K   379_H      K   379_D     3.746     0    0.069   0.923    11.461   54.048   27.037
LGA    C   380_H      C   380_D     3.175     0    0.228   0.668     7.333   32.381   43.492
LGA    D   381_H      D   381_D     7.483     0    0.701   1.213     9.960   14.524    8.452
LGA    E   382_H      E   382_D     6.140     0    0.571   1.113     7.642   14.643   18.095
LGA    D   383_H      D   383_D     5.553     0    0.524   1.074     7.780   17.976   17.798
LGA    T   384_H      T   384_D     6.718     0    0.602   1.366     8.499   11.071   15.034
LGA    A   385_H      A   385_D    12.425     0    0.203   0.202    15.166    0.000    0.000
LGA    F   386_H      F   386_D     9.505     0    0.460   0.844    11.487    3.810    1.602
LGA    L   387_H      L   387_D     4.056     0    0.614   0.948     5.831   31.786   38.333
LGA    W   388_H      W   388_D     4.242     0    0.631   1.439     4.579   35.714   49.558
LGA    K   389_H      K   389_D     5.791     0    0.602   0.699    13.656   19.762   10.212
LGA    I   390_H      I   390_D     4.633     0    0.607   0.927    10.263   43.929   25.536
LGA    L   391_H      L   391_D     3.939     0    0.073   1.291     9.135   46.667   27.798
LGA    K   392_H      K   392_D     3.479     0    0.493   0.928     8.793   52.024   33.069
LGA    P   393_H      P   393_D     5.585     0    0.135   0.134     8.625   17.738   12.653
LGA    E   394_H      E   394_D     9.105     0    0.230   1.150    13.575    3.452    1.534
LGA    M   395_H      M   395_D     5.776     0    0.595   1.305     7.492   16.548   24.821
LGA    K   396_H      K   396_D     8.556     0    0.606   0.863    11.459    3.929    1.958
LGA    N   397_H      N   397_D     7.061     0    0.358   0.875     8.317    8.690   14.821
LGA    L   398_H      L   398_D     6.514     0    0.026   0.137     6.770   13.333   17.976
LGA    T   399_H      T   399_D     7.607     0    0.153   1.092    10.166    7.857    6.803
LGA    I   400_H      I   400_D     7.537     0    0.611   0.659     9.289    8.571    6.607
LGA    T   401_H      T   401_D     7.405     0    0.620   0.890     8.379   14.643   11.088
LGA    E   402_H      E   402_D     4.833     0    0.523   1.154     9.368   18.571   21.164
LGA    E   403_H      E   403_D    10.624     0    0.663   0.753    15.346    1.190    0.529
LGA    K   404_H      K   404_D    10.778     0    0.060   0.736    12.797    0.000    4.180
LGA    T   405_H      T   405_D    13.938     0    0.635   1.100    17.122    0.000    0.000
LGA    E   406_H      E   406_D    21.151     0    0.103   1.295    23.537    0.000    0.000
LGA    H   407_H      H   407_D    25.125     0    0.499   1.268    28.065    0.000    0.000
LGA    N   408_H      N   408_D    31.294     0    0.746   1.046    34.903    0.000    0.000
LGA    L   409_H      L   409_D    32.533     0    0.509   0.876    34.268    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      275    1100   1100  100.00    2189   2189  100.00               412
SUMMARY(RMSD_GDC):    19.422         19.346                 19.848           21.952   19.992

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  278  412    4.0    120    2.30    23.422    21.104     5.008

LGA_LOCAL      RMSD:   2.296  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  33.033  Number of assigned atoms:  275 
Std_ASGN_ATOMS RMSD:  19.422  Standard rmsd on all 275 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.842962 * X  +   0.348183 * Y  +   0.410103 * Z  +  19.053192
  Y_new =   0.356538 * X  +  -0.932430 * Y  +   0.058787 * Z  + -47.987408
  Z_new =   0.402861 * X  +   0.096662 * Y  +  -0.910143 * Z  + -85.614105 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.400140 -0.414640  3.035784   [DEG:   22.9263  -23.7571  173.9376 ]
ZXZ:  1.713173  2.714425  1.335309   [DEG:   98.1576  155.5251   76.5076 ]
 
# END of job
