
#######################################################
#                                                     #
#                        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  198 ( 1543),  selected  198 , name one
# Molecule2: number of CA atoms  198 ( 1543),  selected  198 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      54_A - 124_A       4.84    12.69
  LONGEST_CONTINUOUS_SEGMENT:    71      55_A - 125_A       4.97    12.69
  LCS_AVERAGE:     20.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51      72_A - 122_A       1.98    12.79
  LCS_AVERAGE:      9.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    10      99_A - 108_A       0.94    13.09
  LONGEST_CONTINUOUS_SEGMENT:    10     100_A - 109_A       0.97    12.95
  LONGEST_CONTINUOUS_SEGMENT:    10     101_A - 110_A       0.89    12.92
  LCS_AVERAGE:      2.90

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  198
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     S     1_A     S     1_A      3    5   20      0    3    5    5    6    6    7    9   11   11   13   15   19   20   23   28   32   36   42   53 
LCS_GDT     E     2_A     E     2_A      4    5   24      3    4    5    5    6    6    8   11   13   14   15   17   19   46   52   63   69   71   74   89 
LCS_GDT     E     3_A     E     3_A      4    5   24      3    4    5    5    6    6    9   18   20   27   31   41   49   78   86   92  104  112  119  123 
LCS_GDT     V     4_A     V     4_A      5    9   24      3    4    6   10   13   21   28   40   51   68   82   92   97  105  108  113  115  121  125  127 
LCS_GDT     K     5_A     K     5_A      5   10   24      3    5   11   33   54   66   76   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N     6_A     N     6_A      8   10   24      4   16   31   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     A     7_A     A     7_A      8   10   24      8   19   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     D     8_A     D     8_A      8   10   24      6   20   39   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L     9_A     L     9_A      8   10   24      4   15   39   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     Y    10_A     Y    10_A      8   10   24      4   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     W    11_A     W    11_A      8   10   24      4   16   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    12_A     G    12_A      8   10   24      4   16   30   50   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     F    13_A     F    13_A      8   10   24      4   11   30   50   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     S    14_A     S    14_A      6   10   24      4    6    6   10   28   47   61   76   83   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    15_A     G    15_A      6    8   24      4    6    6   18   28   38   61   76   86   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     S    16_A     S    16_A      6    8   24      4    6   17   26   48   63   75   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     S    17_A     S    17_A      6    8   24      4    6   14   42   58   69   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     H    18_A     H    18_A      6    8   24      4    6    7   20   53   68   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     H    19_A     H    19_A      6    8   24      4   14   29   47   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K    20_A     K    20_A      5    8   24      3    4   10   22   43   55   75   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     Y    21_A     Y    21_A      5    8   24      3    4    5   16   29   47   74   83   89   96  102  107  110  113  118  119  120  125  127  131 
LCS_GDT     D    22_A     D    22_A      5    7   24      6   20   38   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     H    23_A     H    23_A      4    7   24      3   13   30   49   59   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N    24_A     N    24_A      4    7   24      3   10   35   52   62   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    25_A     G    25_A      4    6   24      3    3    4    4    6    6   11   29   45   75   92  103  108  112  114  117  120  125  126  131 
LCS_GDT     P    26_A     P    26_A      4    6   24      3    3    4    4    6    7    9   12   13   14   25   46   69   86   94  109  114  119  125  128 
LCS_GDT     K    27_A     K    27_A      4    6   24      0    4    4    4    6   10   10   12   19   37   45   66   82   89  105  109  115  120  125  128 
LCS_GDT     F    28_A     F    28_A      3    7   17      0    4    5    8    9   12   12   12   14   18   21   23   31   37   47   55   76   97  104  116 
LCS_GDT     E    29_A     E    29_A      4    7   16      3    4    5    8    9   12   12   12   14   18   21   23   31   36   40   53   59   64   77   91 
LCS_GDT     K    30_A     K    30_A      4    7   16      3    3    5    7    9   12   12   12   14   18   21   25   31   38   47   53   65   83   97  109 
LCS_GDT     A    31_A     A    31_A      4    7   16      3    3    5    8    9   12   12   12   14   18   21   25   31   37   47   53   59   64   75  101 
LCS_GDT     G    32_A     G    32_A      4    7   17      0    3    5    8    9   12   12   14   14   18   21   25   31   36   40   44   50   60   70   83 
LCS_GDT     K    33_A     K    33_A      4    9   17      1    3    5    8    9   12   12   14   14   18   21   23   31   36   40   43   47   55   70   83 
LCS_GDT     G    34_A     G    34_A      6    9   17      4    6    6    8    9   12   12   14   17   18   21   25   31   37   47   53   59   64   71   83 
LCS_GDT     A    35_A     A    35_A      6    9   17      4    6    6    6    9   12   14   17   22   24   45   55   65   84   87   99  113  119  123  128 
LCS_GDT     E    36_A     E    36_A      6    9   17      4    6    6    6    9   27   32   33   41   71   81   95  105  112  113  117  120  125  127  131 
LCS_GDT     L    37_A     L    37_A      6    9   18      4    6   15   26   31   44   61   71   82   92   98  107  109  112  116  119  120  125  127  131 
LCS_GDT     T    38_A     T    38_A      6    9   18      4    6    6    8   13   22   29   33   43   60   71   83   92  100  110  114  118  122  126  131 
LCS_GDT     N    39_A     N    39_A      6    9   18      4    6    6    8   11   14   20   23   27   30   36   41   51   61   83   89   94  106  115  121 
LCS_GDT     I    40_A     I    40_A      4    9   18      3    4    5    6   12   16   20   23   26   29   36   41   48   56   58   69   83   93  113  121 
LCS_GDT     D    41_A     D    41_A      4    9   18      3    4    4    6   12   16   20   22   24   29   32   36   43   46   49   62   67   74  100  102 
LCS_GDT     A    42_A     A    42_A      4    6   18      3    4    4    5   12   16   20   23   26   29   34   41   48   56   61   76   91   99  114  121 
LCS_GDT     A    43_A     A    43_A      4    6   18      3    4    4    5    7   17   21   28   33   40   49   61   72   91   99  102  113  121  126  131 
LCS_GDT     S    44_A     S    44_A      4    6   18      1    4    4    6   11   16   20   23   31   46   57   77   85   94  101  111  115  121  126  131 
LCS_GDT     A    45_A     A    45_A      4    6   18      3    6    7   10   12   16   29   33   42   53   64   77   89   98  103  111  115  121  126  131 
LCS_GDT     Y    46_A     Y    46_A      3    8   18      3    4    6   14   18   27   45   57   72   82   89   96  103  110  112  117  120  125  127  131 
LCS_GDT     A    47_A     A    47_A      3    8   18      3    3    4    5   11   26   29   43   59   72   78   88   97  100  108  114  118  122  126  131 
LCS_GDT     E    48_A     E    48_A      3    8   18      1    3    6    8   11   16   20   23   26   29   35   48   55   61   90   93   99  108  117  120 
LCS_GDT     T    49_A     T    49_A      5    8   18      3    6    7   10   12   16   20   23   26   29   34   41   55   61   68   93   99  108  117  118 
LCS_GDT     F    50_A     F    50_A      5    8   18      3    6    7   10   12   16   20   23   26   29   35   44   48   81   90   93  105  110  117  124 
LCS_GDT     K    51_A     K    51_A      5    8   18      3    6    7   10   12   16   20   23   26   29   34   41   43   46   62   67   72   77   83   91 
LCS_GDT     K    52_A     K    52_A      5    8   18      3    6    7   10   12   16   20   23   26   29   32   39   43   46   52   66   72   77   83   91 
LCS_GDT     G    53_A     G    53_A      5    8   18      3    5    7   10   12   16   20   23   26   29   34   41   48   57   62   67   79  108  114  117 
LCS_GDT     V    54_A     V    54_A      4    6   71      3    3    5    5    6    8   14   19   24   30   36   55   71   91   92  102  107  115  121  127 
LCS_GDT     F    55_A     F    55_A      4    6   71      3    3    5    6    8    9   11   15   24   30   36   41   48   74   79  102  107  115  121  127 
LCS_GDT     P    56_A     P    56_A      4    6   71      3    3    5    5    7   11   14   20   28   40   49   59   70   77   90   98  104  118  126  131 
LCS_GDT     N    57_A     N    57_A      4    6   71      3    3    4    5    7    8    9   14   19   26   37   47   63   68   86   95  103  114  126  131 
LCS_GDT     N    58_A     N    58_A      4    5   71      3    4    5    5    7   11   12   24   34   42   53   62   73   87   94  102  112  121  126  131 
LCS_GDT     K    59_A     K    59_A      4    5   71      3    4    5   11   15   29   39   56   76   83   90   98  107  111  114  117  120  125  127  131 
LCS_GDT     R    60_A     R    60_A      4    7   71      3    4    4   16   24   37   56   73   83   96  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     E    61_A     E    61_A      4   10   71      3    4    6   11   22   31   41   63   82   95  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K    62_A     K    62_A      4   10   71      3    4    6   11   15   23   29   41   56   79   88   98  106  113  118  119  120  125  127  130 
LCS_GDT     S    63_A     S    63_A      4   10   71      3    4    4    6   13   16   43   53   75   91  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     D    64_A     D    64_A      4   14   71      3    4    9   29   49   65   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     I    65_A     I    65_A      6   14   71      4   16   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L    66_A     L    66_A      6   14   71      4   16   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V    67_A     V    67_A      6   14   71      6   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     F    68_A     F    68_A      6   14   71      5   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     H    69_A     H    69_A      6   14   71      4   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N    70_A     N    70_A      6   14   71      4   14   35   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    71_A     G    71_A      3   14   71      3    3    6   10   13   33   55   78   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     E    72_A     E    72_A      5   51   71      3    4   15   25   61   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V    73_A     V    73_A      5   51   71      3   11   24   40   55   67   74   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K    74_A     K    74_A      5   51   71      4   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     T    75_A     T    75_A      5   51   71      3   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     E    76_A     E    76_A      5   51   71      3    4   26   48   57   69   78   84   92   97  103  107  110  112  118  119  120  125  127  131 
LCS_GDT     T    77_A     T    77_A      5   51   71      3    8   33   49   62   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N    78_A     N    78_A      5   51   71      1   14   33   45   59   71   78   84   92   97  103  107  110  113  118  119  120  123  127  131 
LCS_GDT     H    79_A     H    79_A      7   51   71      3    4   15   30   43   57   71   82   91   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     S    80_A     S    80_A      7   51   71      4   16   30   52   61   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     S    81_A     S    81_A      7   51   71      3   10   18   32   47   64   74   83   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     Y    82_A     Y    82_A      7   51   71      4   17   33   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     Q    83_A     Q    83_A      7   51   71      6   19   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     I    84_A     I    84_A      7   51   71      6   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N    85_A     N    85_A      7   51   71      6   15   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     W    86_A     W    86_A      7   51   71      6   15   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     P    87_A     P    87_A      7   51   71      7   19   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    88_A     G    88_A      7   51   71      5   16   36   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     E    89_A     E    89_A      7   51   71      5   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V    90_A     V    90_A      7   51   71      5   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     T    91_A     T    91_A      7   51   71      5   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     M    92_A     M    92_A      7   51   71      4   17   36   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K    93_A     K    93_A      7   51   71      8   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L    94_A     L    94_A      3   51   71      3    7   26   48   62   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    95_A     G    95_A      4   51   71      3    4   21   47   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     Y    96_A     Y    96_A      4   51   71      3    7   35   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    97_A     G    97_A      4   51   71      4   12   31   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     D    98_A     D    98_A      4   51   71      3    4    9   22   45   64   75   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G    99_A     G    99_A     10   51   71      6   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   100_A     L   100_A     10   51   71      6   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V   101_A     V   101_A     10   51   71      8   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     I   102_A     I   102_A     10   51   71      6   19   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K   103_A     K   103_A     10   51   71      5   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     D   104_A     D   104_A     10   51   71      4   14   36   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   105_A     L   105_A     10   51   71      6   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N   106_A     N   106_A     10   51   71      8   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   107_A     L   107_A     10   51   71      8   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     M   108_A     M   108_A     10   51   71      4   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   109_A     L   109_A     10   51   71      3   17   35   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K   110_A     K   110_A     10   51   71      3   13   31   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N   111_A     N   111_A      7   51   71      3   11   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G   112_A     G   112_A      5   51   71      3    4   19   35   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N   113_A     N   113_A      8   51   71      4   16   35   52   61   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     M   114_A     M   114_A      8   51   71      5   16   35   52   61   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G   115_A     G   115_A      8   51   71      6   17   38   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     E   116_A     E   116_A      8   51   71      4   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   117_A     L   117_A      8   51   71      8   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K   118_A     K   118_A      8   51   71      8   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     A   119_A     A   119_A      8   51   71      6   17   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     T   120_A     T   120_A      8   51   71      6   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V   121_A     V   121_A      7   51   71      7   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G   122_A     G   122_A      7   51   71      3   13   34   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     E   123_A     E   123_A      5   44   71      3    4    6   13   18   27   44   50   63   79   85   94  104  110  113  116  120  125  126  131 
LCS_GDT     N   124_A     N   124_A      5    6   71      3    4    5    6    8    9   16   18   19   30   42   63   80   92  101  107  110  116  123  127 
LCS_GDT     S   125_A     S   125_A      5    6   71      3    4    5    5    6    6    8   10   17   18   18   19   24   34   38   51   65   77   89   97 
LCS_GDT     N   126_A     N   126_A      5    9   69      3    4    5    6    9   10   12   14   17   18   18   20   22   28   38   42   45   54   64   68 
LCS_GDT     I   127_A     I   127_A      5    9   65      3    4    5    6   10   11   12   14   17   20   24   28   32   37   44   47   55   59   64   68 
LCS_GDT     T   128_A     T   128_A      4   12   19      3    3    4    6   10   11   12   14   17   20   24   25   32   37   44   47   55   59   64   73 
LCS_GDT     L   129_A     L   129_A      7   12   19      5    5   10   11   11   12   12   14   17   18   19   21   32   37   44   47   56   63   87   94 
LCS_GDT     F   130_A     F   130_A      7   12   19      5    5   10   11   11   12   12   14   17   18   19   21   25   46   48   50   62   75   81   84 
LCS_GDT     D   131_A     D   131_A      7   12   19      5    5   10   11   11   13   20   22   32   36   37   39   42   48   51   60   65   75   81   85 
LCS_GDT     V   132_A     V   132_A      7   12   19      5    5   10   11   11   12   20   22   32   36   37   39   42   48   51   60   65   75   81   84 
LCS_GDT     Q   133_A     Q   133_A      7   12   19      5    5   10   11   11   12   15   22   32   36   37   39   42   48   57   60   64   75   81   84 
LCS_GDT     E   134_A     E   134_A      7   12   19      1    5   10   11   11   13   20   22   32   36   37   39   45   51   57   60   65   75   81   85 
LCS_GDT     Y   135_A     Y   135_A      7   12   19      3    5   10   11   13   14   20   22   24   36   37   39   42   48   51   60   65   75   81   94 
LCS_GDT     S   136_A     S   136_A      7   12   19      3    5   10   11   13   14   15   21   24   31   35   38   42   46   51   60   65   75   81   94 
LCS_GDT     V   137_A     V   137_A      7   12   19      3    5   10   11   11   11   12   14   14   15   18   22   24   31   44   46   50   54   60   61 
LCS_GDT     S   138_A     S   138_A      7   12   19      3    5   10   11   11   11   12   14   15   16   18   22   24   31   33   36   45   45   60   61 
LCS_GDT     D   139_A     D   139_A      6   12   19      3    5   10   11   11   11   12   14   15   16   18   20   23   26   30   32   33   36   40   51 
LCS_GDT     N   140_A     N   140_A      4   12   19      3    4    4    6    8   11   12   14   15   16   18   20   23   30   30   32   39   46   48   53 
LCS_GDT     T   141_A     T   141_A      6    8   19      5    7    7    7    9   10   12   14   16   24   25   28   32   36   37   40   61   70   75   81 
LCS_GDT     I   142_A     I   142_A      6    8   19      5    7    7    7    7   10   12   24   29   44   48   55   78   88   93   98  105  110  115  120 
LCS_GDT     T   143_A     T   143_A      6    8   19      5    7    7    7   10   26   33   45   65   84   89   96  103  108  112  116  120  122  125  128 
LCS_GDT     V   144_A     V   144_A      6    8   19      5    7    7   34   49   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     T   145_A     T   145_A      6    8   19      5    7    7    7   33   47   63   77   91   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     P   146_A     P   146_A      6    8   19      3    7    7    7    8   10   12   14   21   26   34   48   74   85  105  114  120  123  127  131 
LCS_GDT     K   147_A     K   147_A      5    7   19      4    5    5    6    8   10   11   14   21   26   34   48   56   61   88  103  114  121  125  131 
LCS_GDT     I   148_A     I   148_A      5    7   19      4    5    5    6    8    9   10   13   15   16   18   21   22   38   54   68   77   93  111  116 
LCS_GDT     P   149_A     P   149_A      5    7   19      4    5    5    6    8   10   11   13   15   16   18   21   22   25   28   45   48   53   73   81 
LCS_GDT     P   150_A     P   150_A      5    7   19      3    5    5    6    8   10   11   13   15   16   18   20   22   25   28   31   34   37   42   52 
LCS_GDT     C   151_A     C   151_A      5    7   19      3    4    5    6    8   10   11   13   15   16   18   20   22   25   28   31   33   37   42   46 
LCS_GDT     T   152_A     T   152_A      3    7   19      4    5    5    6    8    9   10   13   15   16   19   24   28   29   34   35   39   43   48   52 
LCS_GDT     T   153_A     T   153_A      3    8   19      3    4    4    7    7    9   11   14   16   17   20   22   26   29   33   35   37   42   45   48 
LCS_GDT     G   154_A     G   154_A      6    8   19      4    6    6    7    8    9   11   14   16   17   20   22   26   29   31   35   37   42   45   48 
LCS_GDT     T   155_A     T   155_A      6    8   19      4    6    6    7    8    8   10   14   16   17   20   24   28   29   33   35   42   45   48   52 
LCS_GDT     W   156_A     W   156_A      6    8   19      4    6    6    7    8    9   10   14   15   16   20   26   28   32   34   37   46   51   58   63 
LCS_GDT     K   157_A     K   157_A      6    8   18      4    6    6    7    8    9   10   12   15   20   23   27   32   34   38   44   52   63   70   76 
LCS_GDT     P   158_A     P   158_A      6    8   20      4    6    6    7    8   10   11   12   17   22   27   39   47   52   57   76   85   97  112  129 
LCS_GDT     W   159_A     W   159_A      6    8   20      4    6    6    7    8    9   10   15   23   25   33   48   56   75  102  112  120  123  126  131 
LCS_GDT     H   160_A     H   160_A      4    8   20      3    3    4    5    6    7   16   22   27   46   65   79   91  100  107  115  120  123  127  131 
LCS_GDT     N   161_A     N   161_A      4    5   20      3    3    4    5    5    6    9   15   23   29   34   44   78   86  105  114  120  123  127  131 
LCS_GDT     D   162_A     D   162_A      3    5   20      3    3    4    6    7   12   29   43   58   66   80   87   96  107  112  115  119  122  127  131 
LCS_GDT     L   163_A     L   163_A      3    4   20      3    3    3   11   32   42   59   70   81   89  102  107  110  113  118  119  120  125  127  131 
LCS_GDT     T   164_A     T   164_A      4    5   20      4    4    7    9   15   30   56   67   87   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     S   165_A     S   165_A      4    5   20      4    4    5    7   26   47   56   69   87   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K   166_A     K   166_A      4    5   20      4    4    4   14   35   53   63   72   87   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   167_A     L   167_A      4    5   20      4    5    7    9   15   43   56   70   88   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     G   168_A     G   168_A      4    6   20      3    4    4    5    5    8   23   40   64   78   88   99  107  110  114  117  120  125  127  131 
LCS_GDT     S   169_A     S   169_A      6    7   20      3    5    7    9   17   29   42   55   73   86   92  102  110  113  118  119  120  125  127  131 
LCS_GDT     L   170_A     L   170_A      6    7   23      3    5    6    6   11   15   17   32   67   86   95  102  108  113  118  119  120  125  127  131 
LCS_GDT     K   171_A     K   171_A      6    7   26      3    5    6    6    8   15   17   30   67   86   95  102  110  113  118  119  120  125  127  131 
LCS_GDT     S   172_A     S   172_A      6    7   27      3    5    6   33   43   64   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V   173_A     V   173_A      6    7   27      3    5    6    6   22   41   60   76   83   92   97  101  106  112  118  119  120  125  127  130 
LCS_GDT     F   174_A     F   174_A      6    7   27      4    7   19   39   58   69   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     F   175_A     F   175_A      4    9   27      6   20   38   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     E   176_A     E   176_A      4    9   27      4    4    5    7   16   67   75   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     S   177_A     S   177_A      4    9   27      4    4    4    6    9   16   52   65   85   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     Y   178_A     Y   178_A      5    9   27      3    5    5    7    9   10   11   21   27   38   76   95  105  112  118  119  120  125  127  130 
LCS_GDT     T   179_A     T   179_A      5    9   27      3    5    5    7    9   10   20   25   27   36   59   80  102  112  118  119  120  125  127  130 
LCS_GDT     C   180_A     C   180_A      5    9   27      3    5    5    7    9   10   17   26   42   74   94  102  108  113  118  119  120  125  127  131 
LCS_GDT     N   181_A     N   181_A      5    9   27      3    5    5    7    9   15   20   25   26   34   45   53   63   90   99  110  115  120  124  128 
LCS_GDT     N   182_A     N   182_A      5    9   27      3    5    5    7    9   15   20   26   33   37   54   67   85  104  112  119  120  125  125  130 
LCS_GDT     D   183_A     D   183_A      4    9   27      3    3    5    7    9   11   20   25   35   42   59   73  100  112  118  119  120  125  127  131 
LCS_GDT     D   184_A     D   184_A      4    5   27      3    3    4    5   24   30   43   48   58   74   96  102  110  113  118  119  120  125  127  131 
LCS_GDT     I   185_A     I   185_A      4    5   27      3    3    5    6   42   60   69   83   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     A   186_A     A   186_A      4    6   27      3    3    6   32   56   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K   187_A     K   187_A      3   10   27      3    3    5   27   45   60   74   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     K   188_A     K   188_A      3   10   27      8   20   39   52   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     P   189_A     P   189_A      3   10   27      3   12   32   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   190_A     L   190_A      8   10   27      5   14   21   25   36   51   72   84   90   96  102  107  109  113  118  119  120  125  127  131 
LCS_GDT     P   191_A     P   191_A      8   10   27      5   14   21   33   46   69   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   192_A     L   192_A      8   10   27      5   16   33   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     T   193_A     T   193_A      8   10   27      5   18   39   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V   194_A     V   194_A      8   10   27      5   20   38   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     V   195_A     V   195_A      8   10   27      3   15   35   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     L   196_A     L   196_A      8   10   27      0   14   35   51   63   71   78   84   92   97  103  107  110  113  118  119  120  125  127  131 
LCS_GDT     N   197_A     N   197_A      8    9   27      2    5   17   31   42   65   72   84   92   97  103  107  110  113  118  119  120  125  127  130 
LCS_GDT     G   198_A     G   198_A      3    9   27      1    6   21   32   56   71   78   84   92   97  103  107  110  113  118  119  120  125  127  130 
LCS_AVERAGE  LCS_A:  11.02  (   2.90    9.92   20.24 )

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      8     20     39     52     63     71     78     84     92     97    103    107    110    113    118    119    120    125    127    131 
GDT PERCENT_AT   4.04  10.10  19.70  26.26  31.82  35.86  39.39  42.42  46.46  48.99  52.02  54.04  55.56  57.07  59.60  60.10  60.61  63.13  64.14  66.16
GDT RMS_LOCAL    0.43   0.79   1.14   1.42   1.60   1.79   2.00   2.20   2.48   2.75   3.02   3.17   3.41   3.64   3.96   4.00   4.02   4.46   4.63   5.40
GDT RMS_ALL_AT  13.09  13.07  12.85  12.82  12.96  12.93  12.98  13.03  13.03  13.00  13.00  12.97  13.00  13.03  13.04  13.02  12.98  12.92  12.94  12.67

# Checking swapping
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  F    68_A      F    68_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  E   116_A      E   116_A
#   possible swapping detected:  F   130_A      F   130_A
#   possible swapping detected:  D   131_A      D   131_A
#   possible swapping detected:  Y   135_A      Y   135_A
#   possible swapping detected:  D   139_A      D   139_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  F   174_A      F   174_A
#   possible swapping detected:  E   176_A      E   176_A
#   possible swapping detected:  Y   178_A      Y   178_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     1_A      S     1_A    25.019     0    0.012   0.633    26.888    0.000    0.000
LGA    E     2_A      E     2_A    20.157     0    0.564   1.373    23.057    0.000    0.000
LGA    E     3_A      E     3_A    13.826     0    0.074   1.316    16.369    0.000    0.000
LGA    V     4_A      V     4_A    10.006     0    0.454   1.016    13.558    2.976    1.701
LGA    K     5_A      K     5_A     3.709     0    0.310   1.097     5.581   46.667   52.698
LGA    N     6_A      N     6_A     1.861     0    0.308   0.651     5.408   72.976   54.583
LGA    A     7_A      A     7_A     0.554     0    0.077   0.076     0.910   92.857   94.286
LGA    D     8_A      D     8_A     0.842     0    0.185   0.716     3.110   88.214   78.750
LGA    L     9_A      L     9_A     1.174     0    0.057   1.409     3.876   85.952   73.810
LGA    Y    10_A      Y    10_A     0.749     0    0.106   0.234     3.246   83.810   72.738
LGA    W    11_A      W    11_A     1.337     0    0.054   0.500     1.956   79.286   77.143
LGA    G    12_A      G    12_A     1.991     0    0.409   0.409     3.714   63.452   63.452
LGA    F    13_A      F    13_A     2.101     0    0.088   1.474     4.759   51.071   51.082
LGA    S    14_A      S    14_A     6.322     0    0.119   0.737     8.522   25.476   18.651
LGA    G    15_A      G    15_A     6.307     0    0.135   0.135     6.862   29.405   29.405
LGA    S    16_A      S    16_A     4.769     0    0.036   0.687     8.743   37.381   27.619
LGA    S    17_A      S    17_A     2.979     0    0.037   0.650     3.707   51.905   54.921
LGA    H    18_A      H    18_A     3.459     0    0.432   1.277     6.945   55.476   36.381
LGA    H    19_A      H    19_A     2.416     0    0.040   1.420     6.390   55.714   44.048
LGA    K    20_A      K    20_A     4.717     0    0.154   0.336    11.642   35.833   19.259
LGA    Y    21_A      Y    21_A     4.994     0    0.387   0.505    13.813   42.143   15.794
LGA    D    22_A      D    22_A     1.948     0    0.046   1.139     4.876   59.524   53.929
LGA    H    23_A      H    23_A     3.386     0    0.655   0.574     8.481   55.476   30.667
LGA    N    24_A      N    24_A     2.942     0    0.526   1.108     5.874   43.214   39.524
LGA    G    25_A      G    25_A     6.626     0    0.149   0.149     7.458   17.976   17.976
LGA    P    26_A      P    26_A    10.545     0    0.442   0.776    13.041    0.357    0.204
LGA    K    27_A      K    27_A    12.360     0    0.570   0.825    16.692    0.000    0.000
LGA    F    28_A      F    28_A    15.994     0    0.648   1.304    19.919    0.000    0.000
LGA    E    29_A      E    29_A    19.175     0    0.533   0.703    20.859    0.000    0.000
LGA    K    30_A      K    30_A    18.642     0    0.091   0.939    21.402    0.000    0.000
LGA    A    31_A      A    31_A    18.635     0    0.159   0.168    21.252    0.000    0.000
LGA    G    32_A      G    32_A    21.864     0    0.083   0.083    21.864    0.000    0.000
LGA    K    33_A      K    33_A    21.810     0    0.331   1.022    22.841    0.000    0.000
LGA    G    34_A      G    34_A    19.305     0    0.653   0.653    20.079    0.000    0.000
LGA    A    35_A      A    35_A    12.585     0    0.130   0.179    14.855    0.000    0.000
LGA    E    36_A      E    36_A     8.771     0    0.081   0.763    16.624    3.810    1.693
LGA    L    37_A      L    37_A     7.071     0    0.061   1.084     8.865    7.262   14.405
LGA    T    38_A      T    38_A    12.746     0    0.131   1.074    16.072    0.000    0.000
LGA    N    39_A      N    39_A    17.893     0    0.434   0.454    21.594    0.000    0.000
LGA    I    40_A      I    40_A    18.255     0    0.049   1.350    20.804    0.000    0.000
LGA    D    41_A      D    41_A    23.138     0    0.253   1.201    28.306    0.000    0.000
LGA    A    42_A      A    42_A    19.993     0    0.622   0.573    20.876    0.000    0.000
LGA    A    43_A      A    43_A    16.310     0    0.276   0.311    17.564    0.000    0.000
LGA    S    44_A      S    44_A    15.770     0    0.615   0.738    17.059    0.000    0.000
LGA    A    45_A      A    45_A    14.642     0    0.574   0.574    15.270    0.000    0.000
LGA    Y    46_A      Y    46_A    10.114     0    0.019   1.148    11.515    0.000    4.127
LGA    A    47_A      A    47_A    12.878     0    0.470   0.480    17.267    0.000    0.000
LGA    E    48_A      E    48_A    18.898     0    0.217   0.831    24.374    0.000    0.000
LGA    T    49_A      T    49_A    17.072     0    0.454   0.488    17.663    0.000    0.000
LGA    F    50_A      F    50_A    15.673     0    0.106   1.015    18.763    0.000    0.000
LGA    K    51_A      K    51_A    21.585     0    0.075   1.171    28.969    0.000    0.000
LGA    K    52_A      K    52_A    22.109     0    0.242   0.977    24.841    0.000    0.000
LGA    G    53_A      G    53_A    18.166     0    0.423   0.423    19.305    0.000    0.000
LGA    V    54_A      V    54_A    15.569     0    0.093   1.077    17.540    0.000    0.000
LGA    F    55_A      F    55_A    16.390     0    0.322   1.444    18.233    0.000    0.000
LGA    P    56_A      P    56_A    16.283     0    0.515   0.910    16.617    0.000    0.000
LGA    N    57_A      N    57_A    16.710     0    0.551   1.575    21.435    0.000    0.000
LGA    N    58_A      N    58_A    14.744     0    0.611   0.541    18.725    0.000    0.000
LGA    K    59_A      K    59_A     9.099     0    0.079   1.027    10.858    2.262    6.931
LGA    R    60_A      R    60_A     6.347     0    0.657   1.644     7.346   18.690   25.022
LGA    E    61_A      E    61_A     7.338     0    0.607   1.377    10.694    6.548    3.122
LGA    K    62_A      K    62_A     9.462     0    0.532   1.342    19.186    2.619    1.164
LGA    S    63_A      S    63_A     7.418     0    0.220   0.823     8.212   19.643   15.079
LGA    D    64_A      D    64_A     4.182     0    0.038   1.243     8.387   37.976   25.655
LGA    I    65_A      I    65_A     1.440     0    0.211   1.192     5.608   77.143   58.571
LGA    L    66_A      L    66_A     1.214     0    0.039   1.400     3.461   81.429   75.417
LGA    V    67_A      V    67_A     1.283     0    0.122   1.084     4.168   83.690   67.687
LGA    F    68_A      F    68_A     1.032     0    0.145   0.621     2.040   88.214   84.069
LGA    H    69_A      H    69_A     1.347     0    0.131   1.098     8.132   81.429   51.429
LGA    N    70_A      N    70_A     1.936     0    0.580   1.081     7.040   60.000   41.250
LGA    G    71_A      G    71_A     4.816     0    0.694   0.694     4.816   42.024   42.024
LGA    E    72_A      E    72_A     3.149     0    0.076   1.112     5.199   45.119   38.307
LGA    V    73_A      V    73_A     4.151     0    0.434   1.067     7.238   43.690   32.041
LGA    K    74_A      K    74_A     2.315     0    0.356   0.853     4.697   62.857   57.143
LGA    T    75_A      T    75_A     2.366     0    0.038   1.034     3.711   60.952   59.524
LGA    E    76_A      E    76_A     3.475     0    0.115   0.898     5.374   53.571   44.603
LGA    T    77_A      T    77_A     2.735     0    0.597   0.526     3.893   57.500   53.333
LGA    N    78_A      N    78_A     2.910     0    0.115   0.844     7.028   49.167   35.714
LGA    H    79_A      H    79_A     5.425     0    0.459   1.181    10.289   35.952   15.381
LGA    S    80_A      S    80_A     3.334     0    0.493   0.802     5.109   50.119   46.111
LGA    S    81_A      S    81_A     4.738     0    0.060   0.053     7.947   34.405   26.349
LGA    Y    82_A      Y    82_A     2.466     0    0.082   0.559     5.486   66.905   49.722
LGA    Q    83_A      Q    83_A     0.882     0    0.228   0.776     3.674   88.214   80.265
LGA    I    84_A      I    84_A     1.367     0    0.069   0.208     3.288   83.690   70.476
LGA    N    85_A      N    85_A     1.676     0    0.068   1.004     4.892   69.048   58.452
LGA    W    86_A      W    86_A     1.704     0    0.247   1.166     4.442   69.048   61.429
LGA    P    87_A      P    87_A     0.715     0    0.601   0.488     3.253   80.476   78.571
LGA    G    88_A      G    88_A     2.109     0    0.075   0.075     2.439   68.810   68.810
LGA    E    89_A      E    89_A     1.897     0    0.042   0.715     6.203   72.857   49.947
LGA    V    90_A      V    90_A     1.277     0    0.026   0.043     1.654   77.143   81.565
LGA    T    91_A      T    91_A     1.823     0    0.062   1.092     4.244   72.857   69.116
LGA    M    92_A      M    92_A     2.157     0    0.340   0.980     6.098   59.524   51.905
LGA    K    93_A      K    93_A     0.919     0    0.258   1.058     2.073   79.405   80.688
LGA    L    94_A      L    94_A     2.892     0    0.322   1.530     5.350   55.595   55.536
LGA    G    95_A      G    95_A     2.298     0    0.208   0.208     2.828   60.952   60.952
LGA    Y    96_A      Y    96_A     1.729     0    0.157   1.337    13.469   61.429   29.802
LGA    G    97_A      G    97_A     2.182     0    0.479   0.479     2.182   77.381   77.381
LGA    D    98_A      D    98_A     4.474     0    0.576   1.309    10.246   45.238   26.250
LGA    G    99_A      G    99_A     1.203     0    0.463   0.463     2.228   75.119   75.119
LGA    L   100_A      L   100_A     0.570     0    0.078   1.369     3.981   88.214   74.226
LGA    V   101_A      V   101_A     0.933     0    0.088   0.096     1.715   81.548   80.272
LGA    I   102_A      I   102_A     1.447     0    0.122   1.325     4.988   79.286   67.024
LGA    K   103_A      K   103_A     1.100     0    0.462   1.225     4.977   73.571   69.735
LGA    D   104_A      D   104_A     1.980     0    0.389   0.434     2.620   64.881   67.857
LGA    L   105_A      L   105_A     1.320     0    0.090   0.766     4.035   83.810   70.893
LGA    N   106_A      N   106_A     0.146     0    0.122   0.786     3.252   97.619   82.798
LGA    L   107_A      L   107_A     0.317     0    0.077   1.103     4.137   92.976   80.833
LGA    M   108_A      M   108_A     1.589     0    0.241   1.105     2.917   71.310   71.190
LGA    L   109_A      L   109_A     2.099     0    0.134   1.180     3.885   62.857   57.440
LGA    K   110_A      K   110_A     2.666     0    0.554   1.272     5.646   49.524   42.804
LGA    N   111_A      N   111_A     1.639     0    0.666   1.137     5.276   71.071   57.976
LGA    G   112_A      G   112_A     2.459     0    0.615   0.615     3.189   63.095   63.095
LGA    N   113_A      N   113_A     3.454     0    0.224   0.293     5.358   45.476   37.798
LGA    M   114_A      M   114_A     3.200     0    0.153   0.867     5.469   53.571   46.369
LGA    G   115_A      G   115_A     1.779     0    0.107   0.107     2.233   77.381   77.381
LGA    E   116_A      E   116_A     1.524     0    0.069   0.832     5.511   77.262   59.788
LGA    L   117_A      L   117_A     0.801     0    0.084   0.853     3.701   88.214   72.024
LGA    K   118_A      K   118_A     0.545     0    0.167   1.145     7.228   95.238   69.312
LGA    A   119_A      A   119_A     1.816     0    0.220   0.300     2.869   81.548   76.667
LGA    T   120_A      T   120_A     1.021     0    0.056   0.884     2.669   85.952   80.544
LGA    V   121_A      V   121_A     0.848     0    0.058   0.090     1.861   88.214   84.082
LGA    G   122_A      G   122_A     2.007     0    0.342   0.342     6.375   48.690   48.690
LGA    E   123_A      E   123_A     8.137     0    0.626   1.125    13.372    8.571    3.968
LGA    N   124_A      N   124_A    11.504     0    0.095   0.998    15.801    0.119    0.060
LGA    S   125_A      S   125_A    17.309     0    0.537   0.751    20.543    0.000    0.000
LGA    N   126_A      N   126_A    22.536     0    0.457   0.435    25.843    0.000    0.000
LGA    I   127_A      I   127_A    20.695     0    0.611   1.562    21.567    0.000    0.000
LGA    T   128_A      T   128_A    20.619     0    0.176   0.209    22.707    0.000    0.000
LGA    L   129_A      L   129_A    18.078     0    0.559   1.453    20.058    0.000    0.000
LGA    F   130_A      F   130_A    19.714     0    0.092   1.234    21.182    0.000    0.000
LGA    D   131_A      D   131_A    20.987     0    0.047   1.165    23.109    0.000    0.000
LGA    V   132_A      V   132_A    21.298     0    0.043   0.077    22.590    0.000    0.000
LGA    Q   133_A      Q   133_A    22.549     0    0.574   1.501    29.900    0.000    0.000
LGA    E   134_A      E   134_A    21.041     0    0.488   1.208    25.893    0.000    0.000
LGA    Y   135_A      Y   135_A    20.973     0    0.065   1.537    28.667    0.000    0.000
LGA    S   136_A      S   136_A    21.819     0    0.291   0.365    24.164    0.000    0.000
LGA    V   137_A      V   137_A    22.239     0    0.191   0.254    22.630    0.000    0.000
LGA    S   138_A      S   138_A    24.676     0    0.347   0.940    27.424    0.000    0.000
LGA    D   139_A      D   139_A    29.597     0    0.593   0.868    34.798    0.000    0.000
LGA    N   140_A      N   140_A    26.327     0    0.480   1.036    30.007    0.000    0.000
LGA    T   141_A      T   141_A    20.236     0    0.418   0.505    23.092    0.000    0.000
LGA    I   142_A      I   142_A    12.971     0    0.102   1.064    15.413    0.000    0.000
LGA    T   143_A      T   143_A     8.924     0    0.047   0.068    12.694   12.619    7.483
LGA    V   144_A      V   144_A     3.245     0    0.099   1.109     6.289   32.619   32.313
LGA    T   145_A      T   145_A     5.666     0    0.409   1.076     8.165   19.167   22.925
LGA    P   146_A      P   146_A    12.988     0    0.048   0.616    15.290    0.000    0.000
LGA    K   147_A      K   147_A    15.943     0    0.346   1.196    19.954    0.000    0.000
LGA    I   148_A      I   148_A    19.468     0    0.453   0.944    22.025    0.000    0.000
LGA    P   149_A      P   149_A    24.320     0    0.101   0.578    27.348    0.000    0.000
LGA    P   150_A      P   150_A    29.886     0    0.647   0.617    32.636    0.000    0.000
LGA    C   151_A      C   151_A    35.789     0    0.080   0.937    39.766    0.000    0.000
LGA    T   152_A      T   152_A    38.253     0    0.497   1.017    39.540    0.000    0.000
LGA    T   153_A      T   153_A    41.263     0    0.177   1.153    44.620    0.000    0.000
LGA    G   154_A      G   154_A    38.796     0    0.569   0.569    39.428    0.000    0.000
LGA    T   155_A      T   155_A    34.204     0    0.150   1.117    36.032    0.000    0.000
LGA    W   156_A      W   156_A    27.217     0    0.066   1.264    30.010    0.000    0.000
LGA    K   157_A      K   157_A    22.841     0    0.062   0.693    30.903    0.000    0.000
LGA    P   158_A      P   158_A    16.440     0    0.659   0.638    20.765    0.000    0.000
LGA    W   159_A      W   159_A    13.265     0    0.061   1.142    19.494    0.000    0.000
LGA    H   160_A      H   160_A    11.399     0    0.129   1.216    17.329    0.000    0.000
LGA    N   161_A      N   161_A    12.012     0    0.630   0.633    13.869    0.000    0.000
LGA    D   162_A      D   162_A    10.662     0    0.339   0.472    13.475    0.238    0.119
LGA    L   163_A      L   163_A     6.681     0    0.513   0.779     9.130    7.381   19.821
LGA    T   164_A      T   164_A     6.797     0    0.533   0.547     8.954   11.190   11.429
LGA    S   165_A      S   165_A     7.372     0    0.094   0.650     8.688   10.000    8.333
LGA    K   166_A      K   166_A     6.810     0    0.223   1.373     9.188   13.333   10.635
LGA    L   167_A      L   167_A     6.655     0    0.091   1.402     7.662   10.238   13.929
LGA    G   168_A      G   168_A    10.113     0    0.253   0.253    10.228    0.833    0.833
LGA    S   169_A      S   169_A     9.523     0    0.602   0.795    12.992    7.024    4.683
LGA    L   170_A      L   170_A     9.611     0    0.069   0.100    15.123    0.714    0.357
LGA    K   171_A      K   171_A     8.394     0    0.095   0.847    14.174   12.381    5.661
LGA    S   172_A      S   172_A     4.428     0    0.231   0.731     5.506   29.048   27.302
LGA    V   173_A      V   173_A     6.487     0    0.236   0.234    10.137   24.048   14.558
LGA    F   174_A      F   174_A     3.682     0    0.351   1.253    12.013   54.048   25.887
LGA    F   175_A      F   175_A     1.527     0    0.091   0.193     4.406   70.952   55.887
LGA    E   176_A      E   176_A     3.777     0    0.093   1.237    10.743   40.476   23.122
LGA    S   177_A      S   177_A     5.898     0    0.138   0.606     7.826   17.500   14.524
LGA    Y   178_A      Y   178_A    10.363     0    0.461   1.556    14.102    1.190    0.397
LGA    T   179_A      T   179_A    11.817     0    0.249   0.315    15.451    1.905    1.088
LGA    C   180_A      C   180_A     9.241     0    0.378   0.997    10.860    0.714    0.714
LGA    N   181_A      N   181_A    14.321     0    0.347   0.417    16.931    0.000    0.000
LGA    N   182_A      N   182_A    12.534     0    0.585   1.062    18.322    0.357    0.179
LGA    D   183_A      D   183_A    11.098     0    0.225   1.049    15.425    2.143    1.071
LGA    D   184_A      D   184_A     9.256     0    0.214   0.238    13.930    5.000    2.560
LGA    I   185_A      I   185_A     4.741     0    0.470   1.677     5.632   27.857   34.405
LGA    A   186_A      A   186_A     3.619     0    0.300   0.303     4.747   38.810   38.476
LGA    K   187_A      K   187_A     4.755     0    0.701   1.146     7.838   30.714   23.228
LGA    K   188_A      K   188_A     0.792     0    0.065   1.425     3.067   71.667   71.481
LGA    P   189_A      P   189_A     2.190     0    0.620   0.640     5.902   73.214   56.395
LGA    L   190_A      L   190_A     4.558     0    0.591   1.161    10.085   40.714   24.762
LGA    P   191_A      P   191_A     3.524     0    0.206   0.214     4.136   45.119   45.306
LGA    L   192_A      L   192_A     1.737     0    0.084   0.961     4.927   72.976   64.762
LGA    T   193_A      T   193_A     0.924     0    0.070   0.083     1.318   90.595   89.252
LGA    V   194_A      V   194_A     0.946     0    0.102   1.317     2.748   83.690   77.075
LGA    V   195_A      V   195_A     1.827     0    0.216   0.254     3.007   71.071   64.082
LGA    L   196_A      L   196_A     1.715     0    0.090   0.623     4.352   60.000   57.024
LGA    N   197_A      N   197_A     4.111     0    0.523   1.347     9.840   62.381   35.952
LGA    G   198_A      G   198_A     3.059     0    0.648   0.648     5.537   41.190   41.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      198     792    792  100.00    1543   1543  100.00               198
SUMMARY(RMSD_GDC):    12.257         12.221                 12.750           32.687   28.448

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  198  198    4.0     84    2.20    34.722    30.904     3.645

LGA_LOCAL      RMSD:   2.205  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.029  Number of assigned atoms:  198 
Std_ASGN_ATOMS RMSD:  12.257  Standard rmsd on all 198 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.086697 * X  +  -0.909245 * Y  +  -0.407134 * Z  +   3.239040
  Y_new =   0.492385 * X  +  -0.394376 * Y  +   0.775902 * Z  + -72.092186
  Z_new =  -0.866049 * X  +  -0.133198 * Y  +   0.481890 * Z  +  25.615627 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.745086  1.047244 -0.269674   [DEG:   99.9861   60.0027  -15.4512 ]
ZXZ: -2.658363  1.067986 -1.723400   [DEG: -152.3130   61.1911  -98.7435 ]
 
# END of job
