
#######################################################
#                                                     #
#                        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  177 ( 1293),  selected  152 , name one
# Molecule2: number of CA atoms  316 ( 2296),  selected  152 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   152     162_B - 313_B       4.54     4.54
  LCS_AVERAGE:     48.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44     183_B - 226_B       1.97     5.64
  LONGEST_CONTINUOUS_SEGMENT:    44     184_B - 227_B       1.94     5.52
  LONGEST_CONTINUOUS_SEGMENT:    44     186_B - 229_B       1.96     5.33
  LCS_AVERAGE:      8.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22     190_B - 211_B       0.99     5.60
  LONGEST_CONTINUOUS_SEGMENT:    22     191_B - 212_B       0.98     5.54
  LONGEST_CONTINUOUS_SEGMENT:    22     192_B - 213_B       1.00     5.69
  LONGEST_CONTINUOUS_SEGMENT:    22     193_B - 214_B       0.99     5.82
  LCS_AVERAGE:      4.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  152
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     A   162_B     A   162_B      3    8  152      3    3    4    5    7    8   14   18   25   38   47   67   78   84   92  109  118  126  130  135 
LCS_GDT     A   163_B     A   163_B      6    8  152      3    5    6    7    7    8   10   14   16   23   27   30   48   70   78   99  120  127  137  142 
LCS_GDT     R   164_B     R   164_B      6    8  152      3    5    6    7    7    8   10   22   45   61   72   92  103  125  130  134  139  142  146  150 
LCS_GDT     P   165_B     P   165_B      6    8  152      4    5    6    7    7    8   10   26   27   61   72   93  110  125  130  136  139  145  148  150 
LCS_GDT     A   166_B     A   166_B      6    8  152      4   10   17   24   34   46   67   79   97  109  120  127  133  137  140  143  144  145  148  150 
LCS_GDT     L   167_B     L   167_B      6    8  152      4    5    6    7   13   19   24   39   66   87  103  114  123  129  135  140  142  145  148  150 
LCS_GDT     S   168_B     S   168_B      6    8  152      4    5    6    7    9   12   17   29   42   57   75  100  112  119  129  136  139  143  145  150 
LCS_GDT     P   169_B     P   169_B      5    8  152      3    5    6   19   33   60   78   96  104  112  122  128  135  138  140  143  144  145  148  150 
LCS_GDT     G   170_B     G   170_B      6   12  152      4   14   53   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     F   171_B     F   171_B      6   12  152      9   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     F   172_B     F   172_B      6   12  152     11   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     Y   173_B     Y   173_B      6   12  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   174_B     V   174_B      8   12  152      4   31   55   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     M   175_B     M   175_B      8   12  152      5   31   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   176_B     G   176_B      8   12  152      4    7   35   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     S   177_B     S   177_B      8   12  152      4    7   24   58   82   91  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   178_B     R   178_B      8   12  152      4    7   19   47   77   88  100  111  117  122  126  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   179_B     P   179_B      8   12  152      4   16   45   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   180_B     L   180_B      8   12  152      5   29   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   181_B     P   181_B      8   12  152      4   15   45   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   182_B     R   182_B      7   34  152      4    5    7    8    9   10   18   75   98  109  122  128  135  138  140  143  144  145  148  150 
LCS_GDT     P   183_B     P   183_B      7   44  152      3    6    7    9   15   51   63  100  112  120  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   184_B     A   184_B      4   44  152      3   12   31   55   71   88   97  110  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   185_B     G   185_B      4   44  152      3    4   16   35   53   73   94  100  113  120  126  130  135  138  140  143  144  145  148  150 
LCS_GDT     A   186_B     A   186_B     11   44  152      4   26   46   65   82   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   187_B     V   187_B     11   44  152     12   37   58   70   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   188_B     R   188_B     11   44  152     17   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   189_B     R   189_B     11   44  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     I   190_B     I   190_B     22   44  152     18   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     F   191_B     F   191_B     22   44  152     17   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   192_B     L   192_B     22   44  152     17   36   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     H   193_B     H   193_B     22   44  152     14   29   57   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   194_B     A   194_B     22   44  152      3   27   45   63   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   195_B     R   195_B     22   44  152      6   29   47   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   196_B     D   196_B     22   44  152      6   13   36   51   76   89   98  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   197_B     A   197_B     22   44  152      3   10   22   41   71   89   98  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   198_B     D   198_B     22   44  152      5   25   45   67   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   199_B     A   199_B     22   44  152      6   28   47   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   200_B     A   200_B     22   44  152      6   20   53   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   201_B     V   201_B     22   44  152      6   23   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   202_B     V   202_B     22   44  152      9   28   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   203_B     L   203_B     22   44  152      9   28   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     W   204_B     W   204_B     22   44  152      9   27   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   205_B     G   205_B     22   44  152      9   28   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   206_B     A   206_B     22   44  152      9   28   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   207_B     A   207_B     22   44  152      8   17   43   68   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   208_B     L   208_B     22   44  152      7   17   35   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   209_B     G   209_B     22   44  152      9   28   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   210_B     A   210_B     22   44  152      9   17   50   69   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   211_B     L   211_B     22   44  152      7   17   33   63   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     E   212_B     E   212_B     22   44  152      7   17   51   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     E   213_B     E   213_B     22   44  152      9   27   51   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   214_B     A   214_B     22   44  152      9   16   33   68   83   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   215_B     A   215_B     18   44  152      3    5   30   55   80   92  100  110  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   216_B     A   216_B      3   44  152      3    9   29   56   77   92  101  110  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   217_B     L   217_B      3   44  152      3    3   12   35   68   86  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     Y   218_B     Y   218_B      7   44  152      3   28   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     H   219_B     H   219_B      7   44  152     18   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   220_B     A   220_B      7   44  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     K   221_B     K   221_B      7   44  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   222_B     V   222_B      7   44  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   223_B     L   223_B      7   44  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     S   224_B     S   224_B      7   44  152      5   29   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   225_B     D   225_B      4   44  152      3   27   45   57   76   89  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   226_B     P   226_B      4   44  152      3   37   58   70   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     Q   227_B     Q   227_B      4   44  152      3    4    4    5    6   82   99  110  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   228_B     D   228_B      5   44  152      3    4    6   24   52   74   92  107  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     F   229_B     F   229_B      5   44  152      3   11   41   67   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   230_B     P   230_B     11   24  152      6   31   45   64   78   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   231_B     R   231_B     11   24  152      6   28   45   64   79   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   232_B     R   232_B     11   24  152      6   14   24   56   75   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   233_B     D   233_B     11   24  152      9   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   234_B     A   234_B     11   24  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   235_B     V   235_B     11   24  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   236_B     V   236_B     11   24  152     17   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   237_B     L   237_B     11   24  152     18   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     Y   238_B     Y   238_B     11   24  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   239_B     L   239_B     11   24  152     18   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     H   240_B     H   240_B     11   24  152      5   25   50   68   79   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   241_B     G   241_B      4   17  152      2    4    6   22   48   67   87  100  112  120  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   242_B     D   242_B     15   17  152      2    4   14   14   20   36   64   85  105  120  123  130  135  138  139  141  144  145  148  150 
LCS_GDT     H   243_B     H   243_B     15   17  152      8   14   22   50   75   87   99  110  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   244_B     R   244_B     15   17  152     13   14   14   14   30   46   85  100  115  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   245_B     P   245_B     15   17  152     13   14   14   14   22   38   50   74   91  108  120  127  130  136  139  141  144  145  148  150 
LCS_GDT     G   246_B     G   246_B     15   17  152     13   14   14   21   39   63   82   98  110  120  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     E   247_B     E   247_B     15   17  152     13   17   49   69   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   248_B     R   248_B     15   17  152     13   14   14   20   30   62   93  103  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   249_B     A   249_B     15   17  152     13   14   27   48   61   75   91  101  115  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   250_B     V   250_B     15   17  152     13   14   17   35   63   86   99  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     T   251_B     T   251_B     15   17  152     13   14   14   35   59   85   97  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     E   252_B     E   252_B     15   17  152     13   14   18   54   71   88   98  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   253_B     A   253_B     15   17  152     13   14   25   57   78   91  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   254_B     V   254_B     15   17  152     13   14   14   15   36   58   72   92  106  119  126  131  135  138  140  143  144  145  148  150 
LCS_GDT     S   255_B     S   255_B     15   17  152     13   14   14   14   16   29   35   56   83  100  115  122  130  136  139  143  144  145  148  150 
LCS_GDT     R   256_B     R   256_B     15   17  152     13   14   14   25   40   57   72   93  105  118  124  131  135  138  140  143  144  145  148  150 
LCS_GDT     Y   257_B     Y   257_B      3   16  152      3   10   34   49   66   88   98  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   258_B     A   258_B      4    8  152      3    4    5   19   27   50   70   87  105  119  126  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   259_B     G   259_B      4   27  152      3    8   28   45   62   83   95  106  115  121  126  131  135  138  140  143  144  145  148  150 
LCS_GDT     T   260_B     T   260_B      8   27  152      3   25   38   59   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   261_B     L   261_B     21   27  152      3   13   27   61   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     T   262_B     T   262_B     21   27  152      4   27   45   66   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   263_B     G   263_B     21   27  152     12   31   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   264_B     P   264_B     21   27  152     14   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   265_B     D   265_B     21   27  152      8   30   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     T   266_B     T   266_B     21   27  152      5   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     S   267_B     S   267_B     21   27  152     10   29   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   268_B     V   268_B     21   27  152      3   19   36   54   76   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     F   269_B     F   269_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     T   270_B     T   270_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     E   271_B     E   271_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     E   272_B     E   272_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   273_B     L   273_B     21   27  152     17   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   274_B     A   274_B     21   27  152     17   32   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   275_B     P   275_B     21   27  152     11   32   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   276_B     G   276_B     21   27  152      7   29   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     V   277_B     V   277_B     21   27  152     17   36   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   278_B     A   278_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   279_B     A   279_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   280_B     A   280_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     W   281_B     W   281_B     21   27  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   282_B     D   282_B     21   27  152      4   19   38   68   83   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   283_B     P   283_B     17   27  152      4    7   38   64   78   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     Q   284_B     Q   284_B      7   27  152      4    7   26   64   78   91  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   285_B     D   285_B      5   27  152      3    4    8   30   50   66   96  109  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     P   286_B     P   286_B      6   27  152      3    5   16   20   25   30   47   87  108  121  124  129  135  138  140  143  144  145  148  150 
LCS_GDT     R   287_B     R   287_B      6   23  152      3    4    9   15   25   42   74   94  109  121  124  129  135  138  140  143  144  145  148  150 
LCS_GDT     P   288_B     P   288_B      6   23  152      3    4    8    9   10   18   24   29   39   61   91  113  123  136  139  143  144  145  148  150 
LCS_GDT     G   289_B     G   289_B      6   23  152      4    5    8   10   18   24   44   80   99  116  124  129  135  138  140  143  144  145  148  150 
LCS_GDT     Q   290_B     Q   290_B      6   23  152      4    5   14   18   51   83   95  108  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     S   291_B     S   291_B     19   23  152      4    5   11   19   20   28   68  100  113  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   292_B     G   292_B     19   23  152      4   12   18   29   71   87  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     M   293_B     M   293_B     19   23  152     12   29   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     S   294_B     S   294_B     19   23  152     10   32   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     F   295_B     F   295_B     19   23  152     16   29   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   296_B     G   296_B     19   23  152      9   26   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     Q   297_B     Q   297_B     19   23  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     H   298_B     H   298_B     19   23  152     18   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     R   299_B     R   299_B     19   23  152     19   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   300_B     A   300_B     19   23  152      8   37   56   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     F   301_B     F   301_B     19   23  152     17   37   55   69   83   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   302_B     A   302_B     19   23  152     15   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   303_B     L   303_B     19   23  152      9   37   56   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   304_B     A   304_B     19   23  152      9   27   45   62   78   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     S   305_B     S   305_B     19   23  152      9   24   47   66   80   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     G   306_B     G   306_B     19   23  152     17   37   58   72   84   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     L   307_B     L   307_B     19   23  152      7   27   45   55   79   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     I   308_B     I   308_B     19   23  152      7   16   18   54   68   86   99  109  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     D   309_B     D   309_B     19   23  152      6   19   44   64   78   92  101  111  117  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     C   310_B     C   310_B     19   23  152      0    4   12   35   59   84   96  107  116  122  127  131  135  138  140  143  144  145  148  150 
LCS_GDT     A   311_B     A   311_B      3   22  152      3    3    3   14   19   29   35   61  100  107  114  124  130  136  140  143  144  145  148  150 
LCS_GDT     L   312_B     L   312_B      3    4  152      3    3    3   13   17   21   27   64   73   92  108  123  130  135  135  139  143  144  148  150 
LCS_GDT     A   313_B     A   313_B      3    4  152      3    3    3    4    5    9   37   48   60   89  113  123  130  136  139  143  144  145  148  150 
LCS_AVERAGE  LCS_A:  20.43  (   4.42    8.76   48.10 )

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     19     37     58     72     84     92    101    111    117    122    127    131    135    138    140    143    144    145    148    150 
GDT PERCENT_AT   6.01  11.71  18.35  22.78  26.58  29.11  31.96  35.13  37.03  38.61  40.19  41.46  42.72  43.67  44.30  45.25  45.57  45.89  46.84  47.47
GDT RMS_LOCAL    0.35   0.61   1.05   1.32   1.53   1.69   1.89   2.18   2.34   2.49   2.72   2.88   3.09   3.22   3.38   3.60   3.64   3.70   4.00   4.20
GDT RMS_ALL_AT   5.07   5.02   4.84   4.77   4.75   4.74   4.73   4.69   4.73   4.71   4.76   4.73   4.71   4.72   4.65   4.62   4.63   4.63   4.58   4.56

# Checking swapping
#   possible swapping detected:  F   171_B      F   171_B
#   possible swapping detected:  F   191_B      F   191_B
#   possible swapping detected:  D   196_B      D   196_B
#   possible swapping detected:  D   225_B      D   225_B
#   possible swapping detected:  Y   238_B      Y   238_B
#   possible swapping detected:  D   242_B      D   242_B
#   possible swapping detected:  E   252_B      E   252_B
#   possible swapping detected:  D   265_B      D   265_B
#   possible swapping detected:  F   269_B      F   269_B
#   possible swapping detected:  D   285_B      D   285_B
#   possible swapping detected:  F   301_B      F   301_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A   162_B      A   162_B    17.845     0    0.023   0.028    19.160    0.000    0.000
LGA    A   163_B      A   163_B    16.044     0    0.645   0.606    16.143    0.000    0.000
LGA    R   164_B      R   164_B    12.986     0    0.203   1.333    16.160    0.000    0.000
LGA    P   165_B      P   165_B    12.150     0    0.100   0.198    13.285    0.000    0.000
LGA    A   166_B      A   166_B     8.620     0    0.091   0.097     9.662    2.262    2.762
LGA    L   167_B      L   167_B    11.049     0    0.094   1.371    15.431    0.000    0.000
LGA    S   168_B      S   168_B    12.179     0    0.551   0.803    14.693    0.357    0.238
LGA    P   169_B      P   169_B     7.274     0    0.644   0.630    10.942   18.571   11.633
LGA    G   170_B      G   170_B     1.788     0    0.680   0.680     2.970   69.048   69.048
LGA    F   171_B      F   171_B     0.986     0    0.018   0.079     1.625   88.214   81.558
LGA    F   172_B      F   172_B     1.435     0    0.063   1.292     6.349   81.429   58.442
LGA    Y   173_B      Y   173_B     1.220     0    0.021   1.294     4.968   81.429   68.968
LGA    V   174_B      V   174_B     1.693     0    0.094   1.082     3.745   79.286   71.156
LGA    M   175_B      M   175_B     1.199     0    0.077   0.810     2.684   83.810   77.440
LGA    G   176_B      G   176_B     1.736     0    0.053   0.053     1.887   75.000   75.000
LGA    S   177_B      S   177_B     3.322     0    0.022   0.647     5.631   48.452   42.063
LGA    R   178_B      R   178_B     3.922     0    0.099   1.266    10.620   54.167   25.541
LGA    P   179_B      P   179_B     2.426     0    0.048   0.356     5.718   62.976   49.728
LGA    L   180_B      L   180_B     0.958     0    0.114   0.174     6.208   72.024   53.869
LGA    P   181_B      P   181_B     2.198     0    0.020   0.051     3.723   59.881   57.823
LGA    R   182_B      R   182_B     7.096     6    0.592   0.599     9.408   18.690    6.926
LGA    P   183_B      P   183_B     6.335     0    0.182   0.361     9.068   19.524   12.721
LGA    A   184_B      A   184_B     4.711     0    0.316   0.332     6.165   27.976   28.667
LGA    G   185_B      G   185_B     6.172     0    0.594   0.594     6.172   22.738   22.738
LGA    A   186_B      A   186_B     3.072     0    0.677   0.612     4.933   43.690   47.905
LGA    V   187_B      V   187_B     1.766     0    0.049   0.141     2.609   79.405   73.197
LGA    R   188_B      R   188_B     1.612     0    0.112   1.103     7.052   77.143   53.160
LGA    R   189_B      R   189_B     0.875     0    0.075   1.012     4.358   85.952   78.658
LGA    I   190_B      I   190_B     0.812     0    0.077   0.104     0.956   90.476   90.476
LGA    F   191_B      F   191_B     0.478     0    0.016   0.216     1.191   95.238   92.294
LGA    L   192_B      L   192_B     0.811     0    0.045   0.131     1.307   90.476   85.952
LGA    H   193_B      H   193_B     1.552     0    0.195   1.562     5.542   69.048   55.667
LGA    A   194_B      A   194_B     2.732     0    0.080   0.113     3.859   59.048   55.905
LGA    R   195_B      R   195_B     2.424     0    0.654   1.383     7.113   48.571   44.632
LGA    D   196_B      D   196_B     4.113     0    0.153   0.829     4.735   46.905   42.083
LGA    A   197_B      A   197_B     4.169     0    0.112   0.113     5.211   45.357   41.524
LGA    D   198_B      D   198_B     2.854     0    0.116   0.319     5.851   57.262   46.786
LGA    A   199_B      A   199_B     2.346     0    0.024   0.028     2.677   69.048   66.667
LGA    A   200_B      A   200_B     1.657     0    0.043   0.042     2.067   77.143   74.667
LGA    V   201_B      V   201_B     1.298     0    0.041   0.086     1.768   81.429   80.204
LGA    V   202_B      V   202_B     1.050     0    0.026   0.090     1.453   81.429   81.429
LGA    L   203_B      L   203_B     1.139     0    0.023   1.387     3.886   81.429   69.702
LGA    W   204_B      W   204_B     1.332     0    0.061   1.585     7.318   79.286   60.068
LGA    G   205_B      G   205_B     1.116     0    0.048   0.048     1.340   81.429   81.429
LGA    A   206_B      A   206_B     1.548     0    0.070   0.089     1.859   75.000   76.286
LGA    A   207_B      A   207_B     2.311     0    0.012   0.026     2.647   64.881   63.333
LGA    L   208_B      L   208_B     2.078     0    0.021   1.400     5.752   66.786   55.833
LGA    G   209_B      G   209_B     1.512     0    0.078   0.078     1.716   75.000   75.000
LGA    A   210_B      A   210_B     2.435     0    0.010   0.017     2.898   60.952   60.190
LGA    L   211_B      L   211_B     2.939     0    0.009   1.382     6.776   57.143   44.405
LGA    E   212_B      E   212_B     1.775     0    0.035   0.828     5.644   68.810   59.048
LGA    E   213_B      E   213_B     2.533     0    0.081   0.238     2.965   59.048   59.683
LGA    A   214_B      A   214_B     3.134     0    0.475   0.444     4.642   45.476   47.810
LGA    A   215_B      A   215_B     3.938     0    0.248   0.238     4.225   41.786   40.857
LGA    A   216_B      A   216_B     3.960     0    0.650   0.602     6.058   35.238   34.476
LGA    L   217_B      L   217_B     3.784     0    0.068   1.346     9.894   59.524   33.274
LGA    Y   218_B      Y   218_B     1.656     0    0.601   1.543    12.088   75.119   31.151
LGA    H   219_B      H   219_B     1.012     0    0.115   1.482     5.830   88.214   64.952
LGA    A   220_B      A   220_B     0.858     0    0.040   0.065     1.069   85.952   86.857
LGA    K   221_B      K   221_B     0.980     0    0.064   0.552     1.298   90.476   90.529
LGA    V   222_B      V   222_B     0.601     0    0.011   1.127     2.651   88.214   80.748
LGA    L   223_B      L   223_B     1.100     0    0.120   1.325     4.338   88.214   77.143
LGA    S   224_B      S   224_B     0.885     0    0.636   0.848     3.854   74.286   75.397
LGA    D   225_B      D   225_B     3.755     0    0.646   1.306     9.815   55.714   31.012
LGA    P   226_B      P   226_B     1.582     0    0.027   0.050     3.525   77.619   67.143
LGA    Q   227_B      Q   227_B     3.898     4    0.055   0.052     5.596   40.952   20.582
LGA    D   228_B      D   228_B     4.779     0    0.610   0.530     8.779   38.810   23.393
LGA    F   229_B      F   229_B     2.300     0    0.704   0.646     5.323   55.714   47.316
LGA    P   230_B      P   230_B     3.211     0    0.680   0.787     5.370   53.690   45.102
LGA    R   231_B      R   231_B     2.990     0    0.033   1.432     4.051   53.571   53.463
LGA    R   232_B      R   232_B     3.393     0    0.018   1.065     7.113   53.571   34.632
LGA    D   233_B      D   233_B     1.432     0    0.108   1.180     4.706   77.262   65.238
LGA    A   234_B      A   234_B     0.763     0    0.032   0.041     1.055   90.595   90.571
LGA    V   235_B      V   235_B     0.439     0    0.110   0.141     0.976   95.238   93.197
LGA    V   236_B      V   236_B     0.854     0    0.042   1.104     3.136   90.476   82.109
LGA    L   237_B      L   237_B     0.882     0    0.036   0.177     1.267   90.476   89.345
LGA    Y   238_B      Y   238_B     0.973     0    0.100   0.128     1.491   85.952   88.968
LGA    L   239_B      L   239_B     1.196     0    0.166   1.308     4.398   79.286   70.655
LGA    H   240_B      H   240_B     2.970     0    0.508   1.389     9.829   45.714   25.095
LGA    G   241_B      G   241_B     6.590     0    0.231   0.231     6.632   17.500   17.500
LGA    D   242_B      D   242_B     7.857     0    0.048   0.784    11.504    6.429    3.274
LGA    H   243_B      H   243_B     4.643     0    0.148   1.221     6.183   35.476   39.333
LGA    R   244_B      R   244_B     5.282     6    0.014   0.046     7.371   25.476   10.173
LGA    P   245_B      P   245_B     8.980     0    0.067   0.093    11.520    6.786    4.082
LGA    G   246_B      G   246_B     6.910     0    0.019   0.019     7.168   21.548   21.548
LGA    E   247_B      E   247_B     2.263     0    0.043   1.066     8.739   59.167   39.683
LGA    R   248_B      R   248_B     5.077     6    0.032   0.045     7.268   34.524   13.463
LGA    A   249_B      A   249_B     6.043     0    0.031   0.042     8.068   29.405   24.476
LGA    V   250_B      V   250_B     4.123     0    0.032   0.040     7.019   43.452   31.905
LGA    T   251_B      T   251_B     4.180     0    0.100   0.103     7.502   39.405   31.020
LGA    E   252_B      E   252_B     4.132     0    0.052   1.046    10.774   48.571   25.556
LGA    A   253_B      A   253_B     3.515     0    0.034   0.033     5.551   45.238   40.476
LGA    V   254_B      V   254_B     6.219     0    0.059   0.098     8.457   18.095   13.810
LGA    S   255_B      S   255_B     8.202     0    0.056   0.586    10.282    6.667    5.714
LGA    R   256_B      R   256_B     6.714     6    0.213   0.226     6.914   14.286    6.407
LGA    Y   257_B      Y   257_B     3.999     0    0.640   1.142     9.140   34.405   36.825
LGA    A   258_B      A   258_B     7.000     0    0.055   0.071     9.171   22.024   17.905
LGA    G   259_B      G   259_B     5.325     0    0.018   0.018     6.080   30.952   30.952
LGA    T   260_B      T   260_B     2.864     0    0.221   0.228     3.865   53.571   51.088
LGA    L   261_B      L   261_B     2.787     0    0.141   0.135     3.805   59.048   53.750
LGA    T   262_B      T   262_B     2.447     0    0.059   0.212     3.320   69.048   62.925
LGA    G   263_B      G   263_B     1.195     0    0.120   0.120     1.810   86.190   86.190
LGA    P   264_B      P   264_B     0.434     0    0.597   0.555     3.524   81.190   85.238
LGA    D   265_B      D   265_B     1.113     0    0.047   0.951     3.338   88.333   75.714
LGA    T   266_B      T   266_B     0.854     0    0.194   1.125     4.046   88.214   76.599
LGA    S   267_B      S   267_B     1.633     0    0.040   0.748     4.356   73.214   67.143
LGA    V   268_B      V   268_B     3.225     0    0.651   1.158     4.875   47.143   44.626
LGA    F   269_B      F   269_B     1.388     0    0.175   0.151     2.818   79.286   70.866
LGA    T   270_B      T   270_B     1.354     0    0.045   0.065     1.569   79.286   80.204
LGA    E   271_B      E   271_B     1.632     0    0.057   0.135     3.435   79.286   68.783
LGA    E   272_B      E   272_B     1.300     0    0.083   0.489     2.010   79.286   78.624
LGA    L   273_B      L   273_B     1.566     0    0.030   0.131     1.915   75.000   73.929
LGA    A   274_B      A   274_B     1.319     0    0.053   0.079     1.912   85.952   83.333
LGA    P   275_B      P   275_B     0.624     0    0.021   0.071     1.305   88.214   89.184
LGA    G   276_B      G   276_B     1.336     0    0.095   0.095     1.336   85.952   85.952
LGA    V   277_B      V   277_B     0.751     0    0.038   0.077     1.599   90.476   85.374
LGA    A   278_B      A   278_B     0.802     0    0.109   0.165     1.145   85.952   86.857
LGA    A   279_B      A   279_B     1.350     0    0.072   0.120     1.833   81.429   79.714
LGA    A   280_B      A   280_B     1.494     0    0.136   0.187     1.709   77.143   78.000
LGA    W   281_B      W   281_B     1.625     0    0.031   0.837     6.328   72.857   57.619
LGA    D   282_B      D   282_B     2.526     0    0.089   0.236     2.942   59.048   60.000
LGA    P   283_B      P   283_B     3.106     0    0.089   0.356     3.905   55.357   51.156
LGA    Q   284_B      Q   284_B     3.472     4    0.496   0.451     4.994   43.690   24.974
LGA    D   285_B      D   285_B     5.222     0    0.179   1.224     6.745   28.929   26.726
LGA    P   286_B      P   286_B     7.210     0    0.144   0.428     8.994   11.071    8.844
LGA    R   287_B      R   287_B     7.050     0    0.224   0.970     7.780   12.619   13.203
LGA    P   288_B      P   288_B     9.523     0    0.672   0.652    11.675    0.952    0.612
LGA    G   289_B      G   289_B     7.694     0    0.040   0.040     7.718   10.238   10.238
LGA    Q   290_B      Q   290_B     4.870     4    0.471   0.437     5.779   28.929   16.349
LGA    S   291_B      S   291_B     5.741     0    0.532   0.562     7.255   19.762   17.063
LGA    G   292_B      G   292_B     3.832     0    0.137   0.137     4.102   48.690   48.690
LGA    M   293_B      M   293_B     1.206     0    0.681   1.210     4.483   69.762   63.452
LGA    S   294_B      S   294_B     0.758     0    0.066   0.126     1.131   88.214   89.048
LGA    F   295_B      F   295_B     1.544     0    0.076   0.085     2.513   79.286   69.351
LGA    G   296_B      G   296_B     1.696     0    0.030   0.030     1.696   75.000   75.000
LGA    Q   297_B      Q   297_B     1.022     4    0.018   0.020     1.058   83.690   46.243
LGA    H   298_B      H   298_B     0.244     0    0.032   1.142     2.784  100.000   87.476
LGA    R   299_B      R   299_B     0.776     0    0.085   1.034     2.957   90.476   77.965
LGA    A   300_B      A   300_B     1.661     0    0.035   0.037     2.209   77.143   74.667
LGA    F   301_B      F   301_B     1.606     0    0.064   1.139     4.797   75.000   63.377
LGA    A   302_B      A   302_B     0.681     0    0.047   0.055     0.909   90.476   90.476
LGA    L   303_B      L   303_B     1.695     0    0.031   1.366     3.888   70.952   66.190
LGA    A   304_B      A   304_B     3.112     0    0.018   0.021     3.700   55.476   53.048
LGA    S   305_B      S   305_B     2.500     0    0.046   0.734     4.774   64.881   58.016
LGA    G   306_B      G   306_B     0.903     0    0.011   0.011     1.672   79.405   79.405
LGA    L   307_B      L   307_B     3.257     0    0.062   0.108     4.964   50.357   43.036
LGA    I   308_B      I   308_B     4.544     0    0.101   0.665     7.189   34.524   28.393
LGA    D   309_B      D   309_B     3.244     0    0.577   0.576     4.320   57.500   52.202
LGA    C   310_B      C   310_B     4.998     0    0.518   0.819     9.581   22.500   16.746
LGA    A   311_B      A   311_B     9.647     0    0.065   0.073    12.264    2.024    1.619
LGA    L   312_B      L   312_B    11.970     0    0.131   0.153    16.701    0.000    0.000
LGA    A   313_B      A   313_B    10.910     0    0.125   0.146    13.556    0.000    0.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      152     608    608  100.00    1095   1095  100.00               316
SUMMARY(RMSD_GDC):     4.545          4.476                  4.939           27.284   24.282

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  177  316    4.0    111    2.18    28.718    25.244     4.870

LGA_LOCAL      RMSD:   2.179  Number of atoms:  111  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.693  Number of assigned atoms:  152 
Std_ASGN_ATOMS RMSD:   4.545  Standard rmsd on all 152 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.713001 * X  +  -0.432228 * Y  +  -0.552095 * Z  +  53.612537
  Y_new =   0.660030 * X  +  -0.148015 * Y  +  -0.736514 * Z  +  -6.206907
  Z_new =   0.236623 * X  +  -0.889534 * Y  +   0.390818 * Z  +  38.926113 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.394755 -0.238889 -1.156833   [DEG:  137.2094  -13.6873  -66.2817 ]
ZXZ: -0.643249  1.169277  2.881605   [DEG:  -36.8555   66.9946  165.1038 ]
 
# END of job
