
#######################################################
#                                                     #
#                        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  237 ( 2001),  selected  237 , name one
# Molecule2: number of CA atoms  379 ( 3007),  selected  237 , 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:    79     176_B - 254_B       4.74    20.15
  LONGEST_CONTINUOUS_SEGMENT:    79     177_B - 255_B       4.84    20.24
  LCS_AVERAGE:     12.37

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43     199_B - 241_B       1.96    20.26
  LONGEST_CONTINUOUS_SEGMENT:    43     200_B - 242_B       1.97    20.23
  LCS_AVERAGE:      4.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36     203_B - 238_B       0.98    19.99
  LCS_AVERAGE:      3.03

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  237
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   172_B     N   172_B      0    3   11      0    0    3    3    3    6    7    8    9   10   16   18   19   21   21   22   22   22   23   27 
LCS_GDT     G   173_B     G   173_B      3    4   11      0    3    4    4    6    6    8    9   13   14   16   18   19   21   21   22   22   25   28   33 
LCS_GDT     N   174_B     N   174_B      5    7   12      3    5    6    6    8    8    9   10   13   14   16   18   19   21   21   22   24   28   31   34 
LCS_GDT     I   175_B     I   175_B      5    7   78      3    5    6    6    8    8    9   10   13   14   16   18   19   21   21   22   52   58   68   71 
LCS_GDT     V   176_B     V   176_B      5    7   79      3    5    6    6    8    8    9   10   13   14   16   21   24   31   40   48   70   80   87  123 
LCS_GDT     L   177_B     L   177_B      5    7   79      3    5    6    6    9   11   14   32   46   65   93  106  114  120  131  132  136  138  143  147 
LCS_GDT     I   178_B     I   178_B      5    7   79      3    5    6    6    9   13   43   74   99  111  117  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   179_B     S   179_B      5   16   79      3   14   25   43   73   86   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     E   180_B     E   180_B      9   16   79      7   14   31   52   70   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     F   181_B     F   181_B      9   16   79      3   19   33   52   76   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     F   182_B     F   182_B      9   16   79      4   13   25   36   57   79   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     G   183_B     G   183_B      9   16   79      4   20   40   61   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     E   184_B     E   184_B     11   16   79      5   16   40   62   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   185_B     N   185_B     11   16   79      5   22   42   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     V   186_B     V   186_B     11   16   79      7   24   48   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     F   187_B     F   187_B     11   16   79      5   22   40   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   188_B     D   188_B     11   16   79      7   18   40   60   78   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     Y   189_B     Y   189_B     11   16   79      7   16   30   52   76   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   190_B     I   190_B     11   16   79      7   13   27   48   66   85   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   191_B     K   191_B     11   16   79      7   14   27   48   62   85   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     R   192_B     R   192_B     11   16   79      7   12   27   40   56   78   96  105  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   193_B     K   193_B     11   16   79      7    9   16   26   45   64   83   99  111  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   194_B     K   194_B     11   16   79      3    6   11   26   41   55   70   84   97  113  118  122  125  127  131  132  136  138  143  147 
LCS_GDT     N   195_B     N   195_B      3    5   79      3    3    5    6    6    8    9   32   34   50   76   94  110  118  126  128  133  137  140  143 
LCS_GDT     T   196_B     T   196_B      3    5   79      3    3    5    6    8   13   23   25   32   40   49   58   72   81   88   89   99  113  122  131 
LCS_GDT     L   197_B     L   197_B      5    7   79      3    4    7    8    8   19   23   25   32   43   49   51   72   81   88   92  110  117  137  142 
LCS_GDT     F   198_B     F   198_B      5    7   79      3    4    7   10   14   19   23   32   34   48   53   62   74   93   97  107  113  132  140  143 
LCS_GDT     V   199_B     V   199_B      5   43   79      3    4    9   26   43   53   62   74   88  103  114  120  124  127  131  131  135  138  143  147 
LCS_GDT     V   200_B     V   200_B      5   43   79      3    4    8   15   36   59   73   90  105  114  117  121  124  127  131  132  136  138  143  147 
LCS_GDT     S   201_B     S   201_B     28   43   79      5   22   39   52   69   85   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   202_B     D   202_B     35   43   79      4   22   39   52   69   85   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   203_B     I   203_B     36   43   79      5   20   39   56   70   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   204_B     S   204_B     36   43   79      5   25   39   56   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   205_B     N   205_B     36   43   79      9   26   40   60   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     E   206_B     E   206_B     36   43   79      6   25   39   63   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   207_B     D   207_B     36   43   79      9   26   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   208_B     K   208_B     36   43   79      9   26   40   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   209_B     K   209_B     36   43   79      8   26   52   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   210_B     K   210_B     36   43   79      9   26   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   211_B     I   211_B     36   43   79      9   26   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   212_B     L   212_B     36   43   79      9   26   40   65   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     Y   213_B     Y   213_B     36   43   79      9   26   45   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   214_B     N   214_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   215_B     S   215_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   216_B     L   216_B     36   43   79      9   27   52   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   217_B     N   217_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   218_B     L   218_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   219_B     L   219_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     M   220_B     M   220_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     R   221_B     R   221_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   222_B     L   222_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     H   223_B     H   223_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   224_B     N   224_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     A   225_B     A   225_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     G   226_B     G   226_B     36   43   79      5   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   227_B     L   227_B     36   43   79      7   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     T   228_B     T   228_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     H   229_B     H   229_B     36   43   79      8   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   230_B     L   230_B     36   43   79      6   22   41   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   231_B     D   231_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   232_B     L   232_B     36   43   79     10   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   233_B     S   233_B     36   43   79      8   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     P   234_B     P   234_B     36   43   79      8   26   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   235_B     D   235_B     36   43   79      8   26   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   236_B     N   236_B     36   43   79      8   26   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     M   237_B     M   237_B     36   43   79      8   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   238_B     L   238_B     36   43   79      8   24   52   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   239_B     I   239_B     15   43   79      6   22   40   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   240_B     S   240_B     15   43   79      6   21   33   53   78   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     P   241_B     P   241_B     15   43   79      5   12   25   42   66   85   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   242_B     K   242_B      6   43   79      3    4    8   17   32   55   74   96  107  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   243_B     N   243_B      4   28   79      3    4    4    7   13   22   35   73   98  112  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     Y   244_B     Y   244_B      7   28   79      5   24   42   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     E   245_B     E   245_B      7   28   79      7   22   40   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     M   246_B     M   246_B      7   28   79      8   24   40   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     R   247_B     R   247_B      7   28   79      8   24   42   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   248_B     L   248_B      7   28   79      8   24   52   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     C   249_B     C   249_B      7   28   79     11   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   250_B     D   250_B      7   28   79     13   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   251_B     L   251_B      4    9   79      3    4    6    9   13   33   59   84  103  113  119  122  125  127  131  132  136  138  143  147 
LCS_GDT     S   252_B     S   252_B      4    9   79      3    4    7   21   42   59   78   95  107  115  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     Q   253_B     Q   253_B      4    9   79      3    4    6    7   10   18   31   44   71   82  100  114  122  127  131  132  136  138  143  147 
LCS_GDT     S   254_B     S   254_B      5    6   79      4    5    5    6    9   14   28   35   47   64   79   98  107  121  128  131  135  138  141  145 
LCS_GDT     T   255_B     T   255_B      5    6   79      4    5    5    7   10   12   14   15   16   17   23   42   54   62   72   80  100  107  124  132 
LCS_GDT     P   256_B     P   256_B      5    6   57      4    5    5    7   10   12   14   15   16   17   17   19   25   28   30   37   73   76   83   87 
LCS_GDT     I   257_B     I   257_B      5    6   23      4    5    6    7   10   12   14   15   16   17   17   19   24   25   26   29   30   34   34   43 
LCS_GDT     Y   258_B     Y   258_B      5    6   23      4    5    6    7   10   12   14   15   16   17   18   19   24   25   26   29   30   34   34   38 
LCS_GDT     T   259_B     T   259_B      5    6   22      4    4    6    6    7    8   10   13   14   16   18   19   24   25   26   29   30   34   36   40 
LCS_GDT     N   260_B     N   260_B      5    6   19      4    4    6    6    7    8    9   11   14   16   18   19   24   25   26   29   30   34   34   38 
LCS_GDT     K   261_B     K   261_B      5    6   18      3    3    6    6    6    7    9   11   14   16   18   19   24   25   26   29   30   34   34   38 
LCS_GDT     L   262_B     L   262_B      4    6   17      3    3    4    5    6    7    9   11   14   16   18   19   24   25   26   29   30   34   34   38 
LCS_GDT     R   263_B     R   263_B      4   12   19      3    5    6    9   11   11   13   14   14   16   18   19   24   25   26   29   30   34   34   38 
LCS_GDT     H   264_B     H   264_B      8   12   19      3    5    9   10   11   11   13   14   14   16   18   19   24   25   26   29   30   34   34   38 
LCS_GDT     K   265_B     K   265_B      8   12   19      3    4    9   10   11   11   13   14   14   16   18   19   23   25   26   29   30   34   34   38 
LCS_GDT     E   266_B     E   266_B      8   12   19      3    5    9   10   11   11   13   14   14   16   18   19   23   25   25   29   30   34   34   38 
LCS_GDT     K   267_B     K   267_B      8   12   19      4    6    9   10   11   11   13   14   14   14   15   17   21   25   25   29   30   34   34   38 
LCS_GDT     L   268_B     L   268_B      8   12   19      4    6    9   10   11   11   13   14   14   14   15   16   17   21   23   29   30   34   35   38 
LCS_GDT     N   269_B     N   269_B      8   12   19      4    6    9   10   11   11   13   14   14   15   16   17   20   24   27   29   31   33   35   37 
LCS_GDT     S   270_B     S   270_B      8   12   19      4    6    9   10   11   12   13   14   14   15   17   20   23   24   27   29   31   33   35   37 
LCS_GDT     I   271_B     I   271_B      8   12   19      3    5    9   10   11   12   13   14   14   15   17   21   23   24   27   29   31   33   35   37 
LCS_GDT     K   272_B     K   272_B      7   12   19      3    6    9   10   11   12   13   14   14   16   17   21   23   24   27   29   31   33   35   37 
LCS_GDT     P   273_B     P   273_B      7   12   19      3    6    7   10   11   12   13   14   14   16   17   21   23   24   27   29   31   33   35   38 
LCS_GDT     F   274_B     F   274_B      7   12   19      3    5    7    8   11   12   13   14   14   16   17   21   23   24   27   29   31   33   35   41 
LCS_GDT     E   275_B     E   275_B      5   11   19      3    4    6    8   11   12   13   14   14   16   17   21   23   24   27   29   31   40   49   52 
LCS_GDT     S   276_B     S   276_B      5   11   19      3    4    6    8   11   12   13   14   15   16   17   21   23   24   27   29   31   33   36   40 
LCS_GDT     F   277_B     F   277_B      5   11   19      3    4    6    8   11   12   13   14   15   16   17   21   23   24   27   29   31   33   36   43 
LCS_GDT     E   278_B     E   278_B      5   11   19      3    4    6    8   11   12   13   14   15   16   20   21   23   25   27   31   32   37   39   43 
LCS_GDT     P   279_B     P   279_B      5   11   19      3    4    6    8   11   12   13   14   15   16   20   21   23   25   27   31   32   37   39   43 
LCS_GDT     C   280_B     C   280_B      4   11   19      3    3    5    8   11   12   13   14   15   16   20   21   23   25   27   45   51   58   61  102 
LCS_GDT     I   281_B     I   281_B      4   11   19      3    3    6    8   11   12   13   14   15   16   20   21   23   25   40   45   51   89   95  102 
LCS_GDT     G   282_B     G   282_B      3   11   18      3    3    4    6    8   12   13   14   15   20   23   24   51   58   65   78   93  104  109  119 
LCS_GDT     K   283_B     K   283_B      3    5   18      3    3    4    5    6    8   11   22   24   39   68   79   89   97  102  108  118  123  125  129 
LCS_GDT     I   284_B     I   284_B      3    5   18      3    3    4    4   17   34   52   66   78   90  103  109  115  121  126  129  129  131  134  137 
LCS_GDT     E   285_B     E   285_B      4    5   18      3   14   28   51   60   80   94  102  111  116  119  123  125  127  131  132  135  138  143  147 
LCS_GDT     Y   286_B     Y   286_B      4    5   18      3   10   29   56   78   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   287_B     I   287_B      4    5   18      3    5    7   19   72   87   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     P   288_B     P   288_B      4    5   18      3    5    5    8   13   18   27   49   68   91  113  119  122  127  131  132  136  138  143  147 
LCS_GDT     P   289_B     P   289_B      4    5   18      3    4    4    9   12   16   24   29   43   50   58   65   96  108  116  123  130  138  143  147 
LCS_GDT     E   290_B     E   290_B      4    4   18      3    4    4    5   12   16   24   29   34   50   58   65   80   88  116  118  130  137  141  147 
LCS_GDT     C   291_B     C   291_B      3    4   18      3    3    3    3    9   16   25   29   43   50   58   91   96  108  116  123  131  138  143  147 
LCS_GDT     W   292_B     W   292_B      3    4   18      3    3    3    3    4    9   21   25   29   32   35   39   54   88   96  102  107  114  120  141 
LCS_GDT     K   293_B     K   293_B      4    4   18      3    4    4    7   11   13   21   23   28   33   38   46   48   63   68   76   95  108  119  126 
LCS_GDT     I   294_B     I   294_B      4    4   18      3    4    4    4    7    7   15   20   22   28   36   46   48   55   57   71   89   98  119  125 
LCS_GDT     V   295_B     V   295_B      4    4   18      3    4    4    5   11   12   13   20   26   31   38   46   48   60   66   72   86  103  110  125 
LCS_GDT     W   296_B     W   296_B      4    4   18      3    4    5    6   11   12   14   20   26   29   37   44   48   58   66   72   82   95  103  116 
LCS_GDT     K   297_B     K   297_B      3    4   18      3    3    5    6   11   12   14   18   23   30   34   41   45   54   57   70   76   85   99  112 
LCS_GDT     Y   298_B     Y   298_B      3    4   18      3    3    4    6   11   12   14   19   26   30   36   44   48   58   66   72   86   95  103  112 
LCS_GDT     K   299_B     K   299_B      3    4   18      3    3    3    6    8   10   13   18   23   30   32   39   42   51   54   63   68   76   81   87 
LCS_GDT     M   300_B     M   300_B      5    6   18      3    4    5    5    5    8   11   15   21   30   32   39   41   47   51   56   63   68   77   78 
LCS_GDT     N   301_B     N   301_B      5    7   17      3    4    5    6    7    8    8   14   21   30   32   39   41   47   51   56   62   67   77   78 
LCS_GDT     N   302_B     N   302_B      5    7   16      3    4    5    5    7    8    9   14   21   30   32   39   41   47   51   56   63   68   77   78 
LCS_GDT     I   303_B     I   303_B      5    7   18      3    4    5    6    7    8   11   12   16   18   22   27   36   45   51   58   63   76   81   87 
LCS_GDT     K   304_B     K   304_B      5    7   18      3    4    5    6    7    8    8    8   10   12   14   18   22   28   41   52   59   67   77   87 
LCS_GDT     N   305_B     N   305_B      5    7   18      3    4    5    6    7    8    8    9    9   12   14   15   19   24   29   40   55   61   77   78 
LCS_GDT     P   306_B     P   306_B      5    7   18      3    4    5    6    7    8    8    9   10   13   14   15   22   26   34   47   55   67   77   78 
LCS_GDT     I   307_B     I   307_B      5    7   18      3    5    5    6    8    8    9    9   10   13   14   21   23   41   50   61   68   76   86   92 
LCS_GDT     E   308_B     E   308_B      3    3   18      3    3    5    6    8    8    9    9   12   20   30   39   41   47   52   61   66   76   81   87 
LCS_GDT     Y   309_B     Y   309_B      3    4   34      3    3    4    6    6    7    9    9   11   13   18   24   29   40   48   61   66   72   77   83 
LCS_GDT     L   310_B     L   310_B      3    4   34      3    3    3    4    4    6   11   17   20   22   26   30   34   41   50   61   66   72   77   83 
LCS_GDT     K   311_B     K   311_B      3    7   34      3    4    4    5   12   14   15   19   22   30   32   39   42   47   52   58   63   72   79   87 
LCS_GDT     N   312_B     N   312_B      4    7   34      3    4    4    5    6    7   15   19   20   28   31   36   39   43   46   51   59   65   77   79 
LCS_GDT     I   313_B     I   313_B      4    7   34      3    4    4    5    5    7    9   13   19   24   30   38   40   44   51   57   65   74   84   95 
LCS_GDT     S   314_B     S   314_B      4    7   34      3    5    6    6   10   12   18   21   27   33   44   49   54   63   71   82   97  107  119  128 
LCS_GDT     N   315_B     N   315_B      4    7   35      3    5    6    6   10   13   18   21   27   35   44   52   58   65   76   90  104  119  127  135 
LCS_GDT     Q   316_B     Q   316_B      4    7   35      3    5    5    6   10   15   18   25   34   44   52   63   79   93  102  112  122  128  136  143 
LCS_GDT     E   317_B     E   317_B      4    7   35      3    5    5    6    8   10   17   25   33   44   52   62   80   93  107  115  122  128  136  143 
LCS_GDT     E   318_B     E   318_B      4    5   35      3    4    4    6    9   13   17   22   27   43   49   58   71   88  101  112  121  128  136  140 
LCS_GDT     R   319_B     R   319_B      4    5   35      3    4    4    8   13   17   22   35   44   49   62   78   91  106  115  121  128  136  140  145 
LCS_GDT     K   320_B     K   320_B      3    5   35      3    3    4    4    5    6   10   12   21   30   38   49   63   75   99  112  117  128  136  143 
LCS_GDT     K   321_B     K   321_B      3    5   35      3    3    4    4    6    8   10   12   20   30   37   46   52   63   72   87  108  114  127  135 
LCS_GDT     Y   322_B     Y   322_B      3    5   35      3    3    6    6   10   15   18   27   38   49   53   69   80   98  114  120  128  133  139  145 
LCS_GDT     Y   323_B     Y   323_B      3    4   35      3    3    6    6   10   19   23   30   50   54   65   96  110  116  124  127  128  134  139  145 
LCS_GDT     Y   324_B     Y   324_B      3   20   35      3    4   11   22   39   60   75   96  108  115  119  122  125  127  131  132  135  138  142  145 
LCS_GDT     D   325_B     D   325_B      6   20   35      4    5    8   20   52   71   86  102  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     V   326_B     V   326_B      6   20   35      4    8   18   30   48   62   85  102  109  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   327_B     S   327_B      6   20   35      4    9   17   49   73   86   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     C   328_B     C   328_B     16   20   35      4   16   30   62   77   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     A   329_B     A   329_B     16   20   35      4    6   27   38   70   85   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   330_B     D   330_B     16   20   35      8   20   32   62   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   331_B     K   331_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     Y   332_B     Y   332_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     M   333_B     M   333_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   334_B     L   334_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     G   335_B     G   335_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   336_B     I   336_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     F   337_B     F   337_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     F   338_B     F   338_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   339_B     I   339_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     W   340_B     W   340_B     16   20   35     13   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     M   341_B     M   341_B     16   20   35     13   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     W   342_B     W   342_B     16   20   35     13   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   343_B     N   343_B     16   20   35      5   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   344_B     N   344_B      4   20   35      3    4   23   43   66   85   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     G   345_B     G   345_B      4   18   35      3    4    4   32   53   76   96  102  111  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     F   346_B     F   346_B      4   18   35      3    4    4    5   44   85   96  105  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   347_B     I   347_B      4    7   35      3    6   20   38   61   82   95  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     W   348_B     W   348_B      4    7   35      3    6   17   34   56   82   93  105  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   349_B     K   349_B      4    7   35      3    4    5   34   58   77   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     C   350_B     C   350_B      4    7   35      3    4    5    6    7    8   11   39   78  112  117  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   351_B     S   351_B      4    7   31      3    4    5    6    8   12   13   17   19   27   45   63  119  125  129  132  136  138  143  147 
LCS_GDT     D   352_B     D   352_B      4    6   31      3    4    5    6    7   12   13   17   22   44   48   82  119  125  128  131  135  138  143  147 
LCS_GDT     P   353_B     P   353_B      4    6   31      3    4    5    6    8   12   13   17   18   27   43  103  119  125  129  132  136  138  143  147 
LCS_GDT     I   354_B     I   354_B      4    6   31      3    3    5    6    7   22   54   73   90  104  114  121  122  127  131  132  136  138  143  147 
LCS_GDT     Q   355_B     Q   355_B      4    6   29      4    4    4    5    6    6    9   10   12   16   35   42   49  121  127  131  135  137  141  144 
LCS_GDT     D   356_B     D   356_B      4    5   18      4    4    4    5    6    6    7   10   11   14   17   22   28   55   76  129  134  137  140  144 
LCS_GDT     K   357_B     K   357_B      4    5   16      4    4    4    5    5    6    7    9   11   11   16   22   26   28   39   65  124  137  140  143 
LCS_GDT     I   358_B     I   358_B      4    5   16      4    4    4    5    6    6    7   10   11   11   14   16   23   28   32   36   38  113  117  124 
LCS_GDT     F   359_B     F   359_B      3    5   16      3    3    4    5   11   12   12   14   14   15   15   17   18   20   25   29   33   39   45   51 
LCS_GDT     E   360_B     E   360_B      3    4   16      3    3    3    3    4    7   11   13   14   14   47   62   72   81  103  128  133  138  142  145 
LCS_GDT     I   361_B     I   361_B      3    3   16      0    3    3    4    4    7    9   30   33   38   47   62   66   74   96  101  114  123  134  140 
LCS_GDT     F   362_B     F   362_B      3    5   16      1    3    3    4    5   11   16   18   22   29   39   53   58   70   81   89   99  106  131  139 
LCS_GDT     M   363_B     M   363_B      4    5   16      3    3    4    5   12   15   21   30   36   47   58   78   91  111  122  128  133  138  142  145 
LCS_GDT     K   364_B     K   364_B      4    5   16      3    3    5    6   11   12   13   16   26   28   43   58   68   85  108  114  121  132  136  145 
LCS_GDT     S   365_B     S   365_B      4    5   42      3    3    4    6   11   12   13   16   26   38   49   58   91  100  108  122  126  134  140  145 
LCS_GDT     N   366_B     N   366_B      4    5   43      3    3    4    6   11   15   22   47   65   76   85   96  116  121  126  131  136  138  143  147 
LCS_GDT     M   367_B     M   367_B      4    5   43      3    3    8   13   16   33   44   69   88  101  114  119  123  127  131  132  136  138  143  147 
LCS_GDT     D   368_B     D   368_B      4    5   43      3    3    5   14   20   24   32   56   72   97  103  113  122  126  131  132  136  138  143  147 
LCS_GDT     L   369_B     L   369_B      4    5   43      3    3    5    7   11   15   28   38   45   72   87  104  113  119  126  131  136  138  143  147 
LCS_GDT     N   370_B     N   370_B      4    5   43      3    4    4    5   11   14   22   30   39   45   57   66   80   88  114  123  125  134  140  145 
LCS_GDT     K   371_B     K   371_B      3    5   43      3    4    4    7    8   13   24   30   43   68   83   92  102  108  116  123  129  138  143  147 
LCS_GDT     F   372_B     F   372_B      3    5   43      3    4    4    4    5    8   21   31   39   47   58   68  102  108  116  129  132  138  143  147 
LCS_GDT     I   373_B     I   373_B      3    5   43      3    3    4    4    8   10   20   31   39   64   83   92  102  108  116  123  129  138  142  147 
LCS_GDT     M   374_B     M   374_B      4    5   43      3    3    4    4    6    8   13   31   39   46   58   84  102  108  114  123  128  138  142  145 
LCS_GDT     T   375_B     T   375_B      4    5   43      3    3    4    4    4    6   15   21   29   32   47   60   80   93  107  123  127  132  137  143 
LCS_GDT     K   376_B     K   376_B      4    4   43      3    3    4    4    5   13   18   24   29   32   35   49   74   86   94   99  106  121  125  128 
LCS_GDT     S   377_B     S   377_B      4    5   43      3    4    4    8   12   17   24   30   43   51   63   70   94  101  107  117  125  132  136  145 
LCS_GDT     W   378_B     W   378_B      3    5   43      3    3    4    9   13   17   24   33   43   53   75   85  101  108  116  124  129  136  142  145 
LCS_GDT     P   379_B     P   379_B      3    5   43      3    3    4    7   13   17   24   29   39   51   87   94  103  118  123  128  133  138  142  147 
LCS_GDT     H   380_B     H   380_B      4    5   43      3    4    6    9   12   23   29   42   57   74   88  104  114  119  124  129  133  138  142  147 
LCS_GDT     E   381_B     E   381_B      4   12   43      3    4    5    9   15   28   45   73   81   95  110  116  121  126  131  132  136  138  143  147 
LCS_GDT     L   382_B     L   382_B     11   13   43      3   10   28   65   76   87   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   383_B     N   383_B     11   13   43      4   15   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   384_B     N   384_B     11   13   43      4   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   385_B     L   385_B     11   13   43      4   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     I   386_B     I   386_B     11   13   43      7   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     N   387_B     N   387_B     11   13   43      7   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   388_B     K   388_B     11   13   43      7   21   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   389_B     L   389_B     11   13   43      8   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   390_B     L   390_B     11   13   43      7   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     H   391_B     H   391_B     11   13   43      4   24   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     M   392_B     M   392_B     11   13   43      7    9   36   62   76   87   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     E   393_B     E   393_B      5   13   43      5    6   23   55   76   87   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     H   394_B     H   394_B      5   13   43      5    5    6   17   36   58   85  105  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     R   395_B     R   395_B      5    9   43      5    5    6    7   42   75   95  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   396_B     K   396_B      5   13   43      5    5    6   29   66   77   88   97  108  115  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     T   397_B     T   397_B     12   13   43      5   11   17   21   33   52   66   83  104  109  117  123  125  127  131  132  136  138  143  147 
LCS_GDT     V   398_B     V   398_B     12   13   43      4   11   27   32   72   87   96  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     K   399_B     K   399_B     12   13   43      4   13   29   52   79   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   400_B     L   400_B     12   13   43      4   11   31   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   401_B     S   401_B     12   13   43      5   18   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     D   402_B     D   402_B     12   13   43      5   14   30   67   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     L   403_B     L   403_B     12   13   43      5   16   30   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     S   404_B     S   404_B     12   13   43      5   27   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     R   405_B     R   405_B     12   13   43      5   18   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     H   406_B     H   406_B     12   13   43      4   16   53   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     P   407_B     P   407_B     12   13   43      3   16   30   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_GDT     W   408_B     W   408_B     12   13   43      5   15   52   68   80   88   97  107  112  116  119  123  125  127  131  132  136  138  143  147 
LCS_AVERAGE  LCS_A:   6.60  (   3.03    4.41   12.37 )

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     13     27     53     68     80     88     97    107    112    116    119    123    125    127    131    132    136    138    143    147 
GDT PERCENT_AT   3.43   7.12  13.98  17.94  21.11  23.22  25.59  28.23  29.55  30.61  31.40  32.45  32.98  33.51  34.56  34.83  35.88  36.41  37.73  38.79
GDT RMS_LOCAL    0.29   0.70   1.12   1.35   1.58   1.81   2.05   2.33   2.51   2.69   2.80   3.00   3.09   3.21   3.61   3.96   4.22   4.30   4.82   5.12
GDT RMS_ALL_AT  19.48  20.04  19.75  19.69  19.72  19.74  19.70  19.67  19.64  19.63  19.60  19.58  19.56  19.59  19.61  19.53  19.49  19.38  19.46  19.43

# Checking swapping
#   possible swapping detected:  E   180_B      E   180_B
#   possible swapping detected:  Y   189_B      Y   189_B
#   possible swapping detected:  E   206_B      E   206_B
#   possible swapping detected:  Y   244_B      Y   244_B
#   possible swapping detected:  E   245_B      E   245_B
#   possible swapping detected:  D   250_B      D   250_B
#   possible swapping detected:  E   275_B      E   275_B
#   possible swapping detected:  E   278_B      E   278_B
#   possible swapping detected:  E   285_B      E   285_B
#   possible swapping detected:  Y   286_B      Y   286_B
#   possible swapping detected:  E   290_B      E   290_B
#   possible swapping detected:  E   317_B      E   317_B
#   possible swapping detected:  E   318_B      E   318_B
#   possible swapping detected:  Y   322_B      Y   322_B
#   possible swapping detected:  Y   324_B      Y   324_B
#   possible swapping detected:  D   325_B      D   325_B
#   possible swapping detected:  Y   332_B      Y   332_B
#   possible swapping detected:  F   346_B      F   346_B
#   possible swapping detected:  F   359_B      F   359_B
#   possible swapping detected:  E   360_B      E   360_B
#   possible swapping detected:  F   372_B      F   372_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N   172_B      N   172_B    35.162     3    0.166   0.282    35.500    0.000    0.000
LGA    G   173_B      G   173_B    33.094     0    0.564   0.564    34.058    0.000    0.000
LGA    N   174_B      N   174_B    28.914     0    0.666   1.233    32.545    0.000    0.000
LGA    I   175_B      I   175_B    22.129     0    0.021   0.670    24.642    0.000    0.000
LGA    V   176_B      V   176_B    17.427     0    0.024   0.181    20.122    0.000    0.000
LGA    L   177_B      L   177_B    11.886     0    0.154   1.103    14.653    0.119    0.060
LGA    I   178_B      I   178_B     6.672     0    0.138   1.454    10.234   24.881   16.250
LGA    S   179_B      S   179_B     3.752     0    0.527   0.931     8.089   53.095   39.048
LGA    E   180_B      E   180_B     3.088     0    0.147   1.099     9.925   63.095   34.709
LGA    F   181_B      F   181_B     2.997     0    0.014   1.050     8.016   44.167   29.870
LGA    F   182_B      F   182_B     4.311     0    0.275   1.170    12.188   52.262   22.597
LGA    G   183_B      G   183_B     2.085     0    0.286   0.286     2.987   60.952   60.952
LGA    E   184_B      E   184_B     1.813     0    0.054   0.887     3.676   79.405   63.968
LGA    N   185_B      N   185_B     0.857     0    0.086   1.254     3.582   85.952   81.190
LGA    V   186_B      V   186_B     0.485     0    0.093   1.042     2.549   88.571   82.313
LGA    F   187_B      F   187_B     1.540     6    0.054   0.072     2.470   75.238   34.762
LGA    D   188_B      D   188_B     2.256     0    0.062   0.139     3.100   61.190   62.976
LGA    Y   189_B      Y   189_B     3.208     0    0.076   0.247     5.077   46.905   40.635
LGA    I   190_B      I   190_B     4.085     0    0.031   0.695     5.355   36.190   40.952
LGA    K   191_B      K   191_B     4.451     4    0.053   0.083     5.638   33.333   19.630
LGA    R   192_B      R   192_B     5.458     0    0.110   1.200     6.535   22.024   28.528
LGA    K   193_B      K   193_B     6.750     4    0.624   0.615     8.630   10.833    7.196
LGA    K   194_B      K   194_B     7.927     4    0.069   0.067    10.989    4.643    3.175
LGA    N   195_B      N   195_B    11.915     0    0.262   1.076    16.281    0.119    0.060
LGA    T   196_B      T   196_B    16.632     2    0.696   0.629    17.457    0.000    0.000
LGA    L   197_B      L   197_B    16.828     3    0.603   0.592    16.933    0.000    0.000
LGA    F   198_B      F   198_B    16.519     6    0.169   0.210    17.607    0.000    0.000
LGA    V   199_B      V   199_B     9.462     2    0.189   0.218    12.198    1.429    1.224
LGA    V   200_B      V   200_B     8.082     2    0.477   0.528     9.311   12.619    7.415
LGA    S   201_B      S   201_B     3.529     1    0.122   0.179     5.197   37.500   37.143
LGA    D   202_B      D   202_B     3.543     3    0.052   0.147     4.391   46.667   27.976
LGA    I   203_B      I   203_B     2.885     0    0.115   1.602     6.622   55.357   45.417
LGA    S   204_B      S   204_B     2.746     0    0.083   0.780     2.996   57.143   62.698
LGA    N   205_B      N   205_B     2.745     0    0.082   1.243     7.480   57.143   43.274
LGA    E   206_B      E   206_B     2.756     0    0.063   1.119     3.236   60.952   58.942
LGA    D   207_B      D   207_B     1.792     0    0.025   0.544     2.714   70.833   70.952
LGA    K   208_B      K   208_B     1.994     0    0.064   0.918     5.688   72.857   53.280
LGA    K   209_B      K   209_B     2.039     4    0.028   0.077     2.339   68.810   37.778
LGA    K   210_B      K   210_B     1.751     4    0.035   0.037     1.829   72.857   40.476
LGA    I   211_B      I   211_B     1.927     0    0.029   1.453     6.549   68.810   55.952
LGA    L   212_B      L   212_B     2.517     0    0.063   0.988     7.132   60.952   44.821
LGA    Y   213_B      Y   213_B     2.441     0    0.052   0.388     4.718   64.762   52.460
LGA    N   214_B      N   214_B     1.722     0    0.100   0.406     1.870   72.857   75.000
LGA    S   215_B      S   215_B     1.942     0    0.035   0.049     2.088   70.833   68.810
LGA    L   216_B      L   216_B     1.875     0    0.036   0.423     2.134   72.857   74.048
LGA    N   217_B      N   217_B     1.859     0    0.029   1.130     3.482   72.857   68.988
LGA    L   218_B      L   218_B     2.016     3    0.024   0.032     2.077   70.833   43.512
LGA    L   219_B      L   219_B     1.835     0    0.073   1.387     3.369   72.857   68.036
LGA    M   220_B      M   220_B     1.779     0    0.047   0.231     2.750   72.857   70.893
LGA    R   221_B      R   221_B     2.096     0    0.046   0.936     6.389   66.786   46.017
LGA    L   222_B      L   222_B     2.128     0    0.045   1.428     4.124   66.786   62.321
LGA    H   223_B      H   223_B     1.774     0    0.062   0.243     2.122   70.833   76.333
LGA    N   224_B      N   224_B     2.202     0    0.056   0.725     4.599   64.881   55.298
LGA    A   225_B      A   225_B     2.648     0    0.060   0.062     3.019   57.262   57.238
LGA    G   226_B      G   226_B     2.164     0    0.098   0.098     2.341   68.810   68.810
LGA    L   227_B      L   227_B     1.195     0    0.051   0.863     3.946   81.429   72.440
LGA    T   228_B      T   228_B     1.195     0    0.116   1.264     3.037   83.690   77.007
LGA    H   229_B      H   229_B     1.545     0    0.111   0.411     1.758   72.857   78.000
LGA    L   230_B      L   230_B     1.846     0    0.173   0.229     2.479   72.857   68.810
LGA    D   231_B      D   231_B     1.492     0    0.202   0.303     2.985   77.143   71.131
LGA    L   232_B      L   232_B     1.316     3    0.039   0.098     1.638   79.286   49.821
LGA    S   233_B      S   233_B     1.220     0    0.045   0.635     1.430   81.429   81.429
LGA    P   234_B      P   234_B     0.983     0    0.048   0.204     1.727   88.214   84.082
LGA    D   235_B      D   235_B     0.941     0    0.060   0.169     1.654   85.952   81.548
LGA    N   236_B      N   236_B     1.156     0    0.140   0.467     2.710   85.952   76.429
LGA    M   237_B      M   237_B     0.883     3    0.019   0.044     1.009   92.857   56.607
LGA    L   238_B      L   238_B     0.368     0    0.044   0.928     3.241   92.857   83.393
LGA    I   239_B      I   239_B     1.460     0    0.128   1.207     3.867   85.952   72.917
LGA    S   240_B      S   240_B     2.547     1    0.121   0.136     3.874   53.810   44.206
LGA    P   241_B      P   241_B     4.099     0    0.049   0.156     6.405   32.619   42.245
LGA    K   242_B      K   242_B     6.947     4    0.386   0.427     7.661   15.357    7.619
LGA    N   243_B      N   243_B     6.998     3    0.498   0.469     8.824   19.881   10.298
LGA    Y   244_B      Y   244_B     0.978     0    0.583   1.070    10.507   79.643   38.571
LGA    E   245_B      E   245_B     1.494     0    0.044   0.823     2.826   81.429   78.889
LGA    M   246_B      M   246_B     1.334     0    0.038   0.894     4.276   77.143   69.524
LGA    R   247_B      R   247_B     1.294     0    0.053   1.132     3.417   85.952   70.476
LGA    L   248_B      L   248_B     1.208     0    0.040   1.000     3.515   79.286   73.512
LGA    C   249_B      C   249_B     1.374     0    0.068   0.122     1.374   81.429   81.429
LGA    D   250_B      D   250_B     1.160     0    0.534   1.049     2.952   69.286   63.214
LGA    L   251_B      L   251_B     7.406     0    0.225   0.496    11.683   12.262    6.548
LGA    S   252_B      S   252_B     6.534     0    0.546   0.671     7.856   11.190   20.873
LGA    Q   253_B      Q   253_B    10.800     0    0.194   0.691    14.301    0.714    0.317
LGA    S   254_B      S   254_B    12.659     0    0.425   0.884    15.209    0.000    0.000
LGA    T   255_B      T   255_B    19.290     0    0.051   1.122    22.022    0.000    0.000
LGA    P   256_B      P   256_B    24.319     0    0.026   0.364    26.313    0.000    0.000
LGA    I   257_B      I   257_B    26.302     0    0.661   1.288    28.445    0.000    0.000
LGA    Y   258_B      Y   258_B    32.735     0    0.084   1.144    39.566    0.000    0.000
LGA    T   259_B      T   259_B    34.223     0    0.044   1.221    36.935    0.000    0.000
LGA    N   260_B      N   260_B    40.562     0    0.499   1.220    43.903    0.000    0.000
LGA    K   261_B      K   261_B    40.210     0    0.036   1.704    43.510    0.000    0.000
LGA    L   262_B      L   262_B    42.164     0    0.216   0.238    47.258    0.000    0.000
LGA    R   263_B      R   263_B    40.793     0    0.381   1.502    45.053    0.000    0.000
LGA    H   264_B      H   264_B    44.015     0    0.348   0.523    47.706    0.000    0.000
LGA    K   265_B      K   265_B    51.393     2    0.708   0.612    54.046    0.000    0.000
LGA    E   266_B      E   266_B    56.510     0    0.110   1.154    60.892    0.000    0.000
LGA    K   267_B      K   267_B    57.384     4    0.083   0.076    60.217    0.000    0.000
LGA    L   268_B      L   268_B    56.964     0    0.096   0.960    59.207    0.000    0.000
LGA    N   269_B      N   269_B    62.551     0    0.121   0.695    68.852    0.000    0.000
LGA    S   270_B      S   270_B    58.438     0    0.089   0.183    59.543    0.000    0.000
LGA    I   271_B      I   271_B    51.753     0    0.084   1.315    54.431    0.000    0.000
LGA    K   272_B      K   272_B    46.022     0    0.083   0.864    47.887    0.000    0.000
LGA    P   273_B      P   273_B    39.515     0    0.057   0.295    42.354    0.000    0.000
LGA    F   274_B      F   274_B    35.851     0    0.116   1.193    40.053    0.000    0.000
LGA    E   275_B      E   275_B    32.065     0    0.109   1.065    35.920    0.000    0.000
LGA    S   276_B      S   276_B    30.595     0    0.072   0.710    30.870    0.000    0.000
LGA    F   277_B      F   277_B    33.072     0    0.315   1.309    41.749    0.000    0.000
LGA    E   278_B      E   278_B    30.569     0    0.296   1.364    34.302    0.000    0.000
LGA    P   279_B      P   279_B    23.754     0    0.666   0.587    27.270    0.000    0.000
LGA    C   280_B      C   280_B    23.635     0    0.455   0.866    27.804    0.000    0.000
LGA    I   281_B      I   281_B    20.545     0    0.056   1.257    21.870    0.000    0.000
LGA    G   282_B      G   282_B    18.265     0    0.195   0.195    19.089    0.000    0.000
LGA    K   283_B      K   283_B    14.256     0    0.038   0.703    21.036    0.000    0.000
LGA    I   284_B      I   284_B     9.612     0    0.651   1.256    13.606    4.405    2.202
LGA    E   285_B      E   285_B     4.903     0    0.615   1.449     6.452   33.929   32.011
LGA    Y   286_B      Y   286_B     2.587     0    0.412   1.495    12.309   52.619   27.778
LGA    I   287_B      I   287_B     3.915     0    0.615   0.756     7.547   33.095   35.357
LGA    P   288_B      P   288_B     9.604     0    0.025   0.231    10.669    2.738    5.646
LGA    P   289_B      P   289_B    14.798     0    0.689   0.753    17.485    0.000    0.000
LGA    E   290_B      E   290_B    15.798     0    0.602   1.078    16.971    0.000    0.000
LGA    C   291_B      C   291_B    14.579     0    0.594   0.657    15.387    0.000    0.000
LGA    W   292_B      W   292_B    19.087     0    0.084   1.363    24.463    0.000    0.000
LGA    K   293_B      K   293_B    20.941     4    0.570   0.545    20.941    0.000    0.000
LGA    I   294_B      I   294_B    20.241     0    0.643   0.775    22.599    0.000    0.000
LGA    V   295_B      V   295_B    22.689     0    0.529   0.584    25.736    0.000    0.000
LGA    W   296_B      W   296_B    25.236     0    0.627   0.980    27.385    0.000    0.000
LGA    K   297_B      K   297_B    27.173     4    0.587   0.598    28.835    0.000    0.000
LGA    Y   298_B      Y   298_B    29.009     0    0.597   0.570    33.020    0.000    0.000
LGA    K   299_B      K   299_B    34.538     4    0.560   0.572    37.692    0.000    0.000
LGA    M   300_B      M   300_B    40.714     0    0.647   0.971    43.242    0.000    0.000
LGA    N   301_B      N   301_B    43.012     0    0.727   0.881    44.332    0.000    0.000
LGA    N   302_B      N   302_B    46.042     0    0.403   1.006    53.255    0.000    0.000
LGA    I   303_B      I   303_B    41.643     0    0.096   1.497    43.285    0.000    0.000
LGA    K   304_B      K   304_B    42.958     0    0.579   0.933    45.938    0.000    0.000
LGA    N   305_B      N   305_B    42.171     0    0.273   1.308    43.465    0.000    0.000
LGA    P   306_B      P   306_B    39.298     0    0.575   0.606    41.620    0.000    0.000
LGA    I   307_B      I   307_B    36.671     0    0.617   1.053    38.281    0.000    0.000
LGA    E   308_B      E   308_B    40.469     0    0.612   1.291    44.889    0.000    0.000
LGA    Y   309_B      Y   309_B    40.757     0    0.625   0.752    41.842    0.000    0.000
LGA    L   310_B      L   310_B    38.551     0    0.600   1.358    41.478    0.000    0.000
LGA    K   311_B      K   311_B    35.952     4    0.624   0.618    36.809    0.000    0.000
LGA    N   312_B      N   312_B    37.902     3    0.436   0.413    39.858    0.000    0.000
LGA    I   313_B      I   313_B    32.489     0    0.097   0.706    36.529    0.000    0.000
LGA    S   314_B      S   314_B    27.463     0    0.634   0.592    29.554    0.000    0.000
LGA    N   315_B      N   315_B    24.351     0    0.225   1.073    26.163    0.000    0.000
LGA    Q   316_B      Q   316_B    19.803     0    0.526   1.129    21.061    0.000    0.000
LGA    E   317_B      E   317_B    20.469     0    0.067   0.775    26.797    0.000    0.000
LGA    E   318_B      E   318_B    21.725     0    0.525   1.226    28.588    0.000    0.000
LGA    R   319_B      R   319_B    16.594     0    0.600   1.157    18.141    0.000    0.952
LGA    K   320_B      K   320_B    18.003     0    0.483   1.209    26.012    0.000    0.000
LGA    K   321_B      K   321_B    18.762     0    0.733   1.361    27.536    0.000    0.000
LGA    Y   322_B      Y   322_B    14.900     0    0.670   1.195    15.413    0.000    0.000
LGA    Y   323_B      Y   323_B    12.257     0    0.585   1.556    20.258    0.000    0.000
LGA    Y   324_B      Y   324_B     6.204     0    0.576   1.280     8.155   16.310   23.452
LGA    D   325_B      D   325_B     4.562     0    0.609   1.312     5.984   32.857   28.333
LGA    V   326_B      V   326_B     5.214     0    0.024   0.087     7.655   32.976   24.762
LGA    S   327_B      S   327_B     3.451     0    0.087   0.522     5.059   53.571   46.270
LGA    C   328_B      C   328_B     2.958     0    0.135   0.683     5.996   57.262   48.968
LGA    A   329_B      A   329_B     3.567     0    0.043   0.077     4.333   50.119   47.524
LGA    D   330_B      D   330_B     2.538     0    0.040   0.255     2.592   60.952   60.952
LGA    K   331_B      K   331_B     1.642     0    0.023   0.258     1.890   75.000   79.577
LGA    Y   332_B      Y   332_B     1.373     0    0.066   1.097     8.156   79.286   51.667
LGA    M   333_B      M   333_B     1.521     0    0.086   0.721     3.220   72.857   71.131
LGA    L   334_B      L   334_B     1.495     0    0.033   0.080     1.796   77.143   76.071
LGA    G   335_B      G   335_B     1.591     0    0.028   0.028     1.591   77.143   77.143
LGA    I   336_B      I   336_B     1.218     0    0.080   1.039     4.228   81.429   69.821
LGA    F   337_B      F   337_B     1.158     0    0.000   0.324     1.582   81.429   80.649
LGA    F   338_B      F   338_B     1.652     0    0.032   0.740     4.792   75.000   57.879
LGA    I   339_B      I   339_B     1.829     0    0.028   1.222     3.497   72.857   66.071
LGA    W   340_B      W   340_B     1.470     0    0.075   1.479     5.446   79.286   63.776
LGA    M   341_B      M   341_B     1.462     0    0.089   1.162     2.753   81.429   74.286
LGA    W   342_B      W   342_B     1.739     0    0.025   0.044     3.079   72.857   62.789
LGA    N   343_B      N   343_B     1.964     0    0.518   0.541     5.670   71.548   51.726
LGA    N   344_B      N   344_B     3.852     0    0.541   1.233     9.025   42.857   27.381
LGA    G   345_B      G   345_B     5.900     0    0.058   0.058     5.900   30.595   30.595
LGA    F   346_B      F   346_B     4.738     0    0.144   1.181    13.432   33.571   14.113
LGA    I   347_B      I   347_B     4.183     0    0.593   0.874     8.921   40.714   26.548
LGA    W   348_B      W   348_B     4.840     0    0.103   1.597    15.710   35.714   11.871
LGA    K   349_B      K   349_B     4.252     0    0.673   1.501    10.367   32.976   20.053
LGA    C   350_B      C   350_B     7.089     0    0.314   0.686     9.040   10.119   10.635
LGA    S   351_B      S   351_B    12.378     0    0.436   0.604    14.976    0.000    0.000
LGA    D   352_B      D   352_B    13.419     0    0.239   1.171    13.484    0.000    0.000
LGA    P   353_B      P   353_B    13.393     0    0.663   0.583    17.088    0.000    0.000
LGA    I   354_B      I   354_B     8.917     0    0.644   0.958    10.478    6.786    5.893
LGA    Q   355_B      Q   355_B     9.171     0    0.566   1.034    15.087    2.500    1.111
LGA    D   356_B      D   356_B    10.092     0    0.127   1.140    14.126    0.357    0.179
LGA    K   357_B      K   357_B    12.211     4    0.444   0.439    13.560    0.000    0.000
LGA    I   358_B      I   358_B    15.975     0    0.564   0.938    17.303    0.000    0.000
LGA    F   359_B      F   359_B    16.895     0    0.639   1.395    21.204    0.000    0.000
LGA    E   360_B      E   360_B    13.497     0    0.645   0.853    16.552    0.000    0.000
LGA    I   361_B      I   361_B    18.107     0    0.625   0.992    22.347    0.000    0.000
LGA    F   362_B      F   362_B    18.654     0    0.608   1.319    23.476    0.000    0.000
LGA    M   363_B      M   363_B    14.867     0    0.653   1.264    15.710    0.000    0.000
LGA    K   364_B      K   364_B    17.981     4    0.217   0.220    19.555    0.000    0.000
LGA    S   365_B      S   365_B    15.856     0    0.440   0.826    16.343    0.000    0.000
LGA    N   366_B      N   366_B    13.624     0    0.612   1.443    18.627    0.000    0.000
LGA    M   367_B      M   367_B    10.103     0    0.568   0.933    11.544    0.000    0.536
LGA    D   368_B      D   368_B    11.277     3    0.239   0.254    13.531    0.000    0.000
LGA    L   369_B      L   369_B    12.758     0    0.199   0.192    15.770    0.000    0.000
LGA    N   370_B      N   370_B    17.348     0    0.605   0.661    22.565    0.000    0.000
LGA    K   371_B      K   371_B    16.310     4    0.657   0.628    16.998    0.000    0.000
LGA    F   372_B      F   372_B    15.209     0    0.051   1.392    17.359    0.000    0.000
LGA    I   373_B      I   373_B    16.616     0    0.168   0.666    18.100    0.000    0.000
LGA    M   374_B      M   374_B    16.521     0    0.713   1.498    17.167    0.000    0.000
LGA    T   375_B      T   375_B    16.687     0    0.653   0.658    20.062    0.000    0.000
LGA    K   376_B      K   376_B    19.207     4    0.568   0.533    21.242    0.000    0.000
LGA    S   377_B      S   377_B    16.208     1    0.618   0.620    16.587    0.000    0.000
LGA    W   378_B      W   378_B    13.267     0    0.597   1.108    14.333    0.000    0.000
LGA    P   379_B      P   379_B    12.528     0    0.061   0.147    14.185    0.000    0.000
LGA    H   380_B      H   380_B    11.105     0    0.432   1.164    15.248    0.833    0.333
LGA    E   381_B      E   381_B     8.974     0    0.074   0.991    14.611    7.500    3.333
LGA    L   382_B      L   382_B     3.117     0    0.266   1.280     5.287   53.452   59.405
LGA    N   383_B      N   383_B     1.932     0    0.093   0.828     2.890   72.976   69.940
LGA    N   384_B      N   384_B     2.347     0    0.032   1.220     7.476   68.810   49.345
LGA    L   385_B      L   385_B     1.365     0    0.060   0.993     2.655   79.286   75.179
LGA    I   386_B      I   386_B     1.577     0    0.022   0.113     1.912   75.000   76.071
LGA    N   387_B      N   387_B     2.243     0    0.064   1.254     2.786   66.786   66.905
LGA    K   388_B      K   388_B     2.246     0    0.216   0.467     2.822   62.857   63.968
LGA    L   389_B      L   389_B     1.705     0    0.162   1.149     3.514   72.857   70.298
LGA    L   390_B      L   390_B     2.118     0    0.266   1.033     2.911   62.857   61.905
LGA    H   391_B      H   391_B     1.547     0    0.037   0.468     3.158   65.119   74.905
LGA    M   392_B      M   392_B     3.730     0    0.079   1.256     9.916   43.810   28.631
LGA    E   393_B      E   393_B     3.867     4    0.574   0.588     4.321   41.905   23.439
LGA    H   394_B      H   394_B     5.637     0    0.075   1.297    13.293   35.238   14.619
LGA    R   395_B      R   395_B     4.005     0    0.034   1.284    11.782   45.238   18.268
LGA    K   396_B      K   396_B     4.871     0    0.035   1.067     7.280   32.024   22.222
LGA    T   397_B      T   397_B     6.158     0    0.575   1.440     8.325   29.286   19.456
LGA    V   398_B      V   398_B     3.648     0    0.072   1.183     4.474   45.119   45.442
LGA    K   399_B      K   399_B     2.503     0    0.084   0.464     4.542   60.952   56.032
LGA    L   400_B      L   400_B     1.650     0    0.087   0.268     3.406   77.143   68.274
LGA    S   401_B      S   401_B     0.652     0    0.050   0.098     1.406   85.952   85.952
LGA    D   402_B      D   402_B     2.016     0    0.060   0.441     3.465   70.833   63.095
LGA    L   403_B      L   403_B     1.963     0    0.028   0.785     4.712   77.143   65.000
LGA    S   404_B      S   404_B     0.568     0    0.132   0.685     2.700   92.857   86.508
LGA    R   405_B      R   405_B     1.071     0    0.264   0.791     5.855   90.595   59.567
LGA    H   406_B      H   406_B     1.074     0    0.094   0.277     2.904   81.548   71.667
LGA    P   407_B      P   407_B     2.131     0    0.076   0.225     2.389   66.786   67.075
LGA    W   408_B      W   408_B     1.724     0    0.162   0.496     2.642   66.905   74.218

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      237     948    948  100.00    1887   1887  100.00               379
SUMMARY(RMSD_GDC):    17.753         17.700                 18.210           20.394   17.578

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  237  379    4.0    107    2.33    22.032    19.094     4.402

LGA_LOCAL      RMSD:   2.331  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.665  Number of assigned atoms:  237 
Std_ASGN_ATOMS RMSD:  17.753  Standard rmsd on all 237 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.081892 * X  +  -0.698625 * Y  +   0.710786 * Z  + -40.923626
  Y_new =  -0.875880 * X  +  -0.390731 * Y  +  -0.283133 * Z  +  79.312431
  Z_new =   0.475530 * X  +  -0.599377 * Y  +  -0.643909 * Z  + 163.847748 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.477570 -0.495566 -2.391998   [DEG:  -84.6585  -28.3939 -137.0514 ]
ZXZ:  1.191724  2.270393  2.470905   [DEG:   68.2808  130.0839  141.5724 ]
 
# END of job
