
#######################################################
#                                                     #
#                        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  135 ( 1092),  selected  135 , name one
# Molecule2: number of CA atoms  179 ( 1442),  selected  135 , 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:    75      74_A - 148_A       4.95     8.30
  LCS_AVERAGE:     35.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24     109_A - 132_A       1.91     8.51
  LONGEST_CONTINUOUS_SEGMENT:    24     110_A - 133_A       1.68     8.76
  LCS_AVERAGE:      8.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    12     110_A - 121_A       0.97    10.20
  LONGEST_CONTINUOUS_SEGMENT:    12     112_A - 123_A       0.98    14.19
  LCS_AVERAGE:      4.34

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  135
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     T    14_A     T    14_A      4    5   32      3    6    8   10   11   18   21   33   44   54   63   74   91   99  108  114  118  121  125  127 
LCS_GDT     Y    15_A     Y    15_A      4    6   32      3    4    8    9   10   15   18   25   30   45   53   64   74   82   91  107  114  120  125  127 
LCS_GDT     N    16_A     N    16_A      4    6   32      3    4    5    9   10   13   13   15   21   30   44   57   62   73   81   90  107  112  120  124 
LCS_GDT     T    17_A     T    17_A      4    9   32      3    4    5    5    6    7   13   15   17   20   27   40   52   64   69   76   93   98  105  121 
LCS_GDT     D    18_A     D    18_A      4   10   32      3    4    7    8   10   10   13   15   17   20   35   52   62   69   86  104  112  118  122  125 
LCS_GDT     N    19_A     N    19_A      6   10   32      3    5    7    8   10   10   13   15   17   24   25   32   62   66   81  104  111  118  121  127 
LCS_GDT     T    20_A     T    20_A      7   10   32      4    6    7    8   10   11   14   27   29   34   40   62   73   81  101  109  116  121  125  127 
LCS_GDT     F    21_A     F    21_A      7   12   32      4    6    7    8   13   24   27   29   42   55   61   84   95   99  106  114  118  121  125  127 
LCS_GDT     K    22_A     K    22_A      7   12   32      4    6    7   16   24   26   29   38   46   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     G    23_A     G    23_A      8   12   32      4   11   18   23   25   26   29   38   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     G    24_A     G    24_A      9   12   32      4   10   18   23   25   27   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     S    25_A     S    25_A      9   12   32      4   10   18   23   25   30   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y    26_A     Y    26_A      9   12   32      4    9   18   23   25   30   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     A    27_A     A    27_A      9   12   32      4    7   16   23   25   30   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     K    28_A     K    28_A      9   12   32      3    7   18   23   25   30   37   42   50   60   69   84   95   99  108  113  118  121  125  127 
LCS_GDT     Y    29_A     Y    29_A      9   12   32      3   11   17   23   25   30   37   42   50   59   66   75   86   96  101  108  116  121  125  127 
LCS_GDT     V    30_A     V    30_A      9   12   32      3   11   17   23   25   30   37   42   50   59   66   75   86   96  101  108  116  121  125  127 
LCS_GDT     L    31_A     L    31_A      9   12   32      3    7    9   23   25   30   37   42   50   59   66   75   86   96  101  108  115  121  125  127 
LCS_GDT     S    32_A     S    32_A      9   12   33      1    5   14   23   25   26   30   41   49   59   65   75   86   92   99  108  115  121  125  127 
LCS_GDT     P    33_A     P    33_A      3   12   35      3    3    3    9   13   20   30   38   50   60   69   84   95   99  108  113  118  121  125  127 
LCS_GDT     N    34_A     N    34_A      7   10   48      3    5    7    8   11   13   18   27   43   52   57   66   76   89   98  110  116  121  125  127 
LCS_GDT     L    35_A     L    35_A      7   10   48      3    6    8   11   15   25   26   33   48   55   67   81   95   99  108  114  118  121  125  127 
LCS_GDT     A    36_A     A    36_A      7   10   48      3    6    8   11   17   25   26   33   46   55   67   81   95   99  108  114  118  121  125  127 
LCS_GDT     L    37_A     L    37_A      7   11   48      4    6    8   11   17   25   27   35   48   60   70   85   95   99  108  114  118  121  125  127 
LCS_GDT     K    38_A     K    38_A      7   11   48      4    6    8   11   17   25   27   35   48   60   70   85   95   99  108  114  118  121  125  127 
LCS_GDT     G    39_A     G    39_A      7   11   48      4    6    7   11   17   25   31   41   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     E    40_A     E    40_A      8   11   48      4    6    8   11   17   25   32   41   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y    41_A     Y    41_A      8   11   48      3    6    8   11   17   25   27   41   49   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     E    42_A     E    42_A      8   11   48      3    6    8   11   17   25   27   41   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     W    43_A     W    43_A      8   11   48      3    6    8   11   17   25   27   34   46   55   70   85   95   99  108  114  118  121  125  127 
LCS_GDT     N    44_A     N    44_A      8   11   48      3    6   10   15   19   20   24   33   46   54   70   85   95   99  108  114  118  121  125  127 
LCS_GDT     N    45_A     N    45_A      8   11   48      3    6    9   16   19   20   21   32   38   52   58   70   80   97  108  114  118  121  125  127 
LCS_GDT     S    46_A     S    46_A      8   11   48      3    6    8   16   19   20   23   32   43   52   63   72   89   99  108  114  118  121  125  127 
LCS_GDT     S    47_A     S    47_A      8   11   48      3    3    9   16   19   20   24   32   46   54   70   85   95   99  108  114  118  121  125  127 
LCS_GDT     L    48_A     L    48_A      3   13   48      3    3   11   18   23   34   37   48   53   54   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     N    49_A     N    49_A      3   13   48      3    3   10   16   23   34   37   43   51   54   66   85   95   99  108  114  118  121  125  127 
LCS_GDT     S    50_A     S    50_A      9   13   48      4    6   10   14   18   23   27   33   41   46   59   66   73   90  100  114  118  121  125  127 
LCS_GDT     F    51_A     F    51_A      9   13   48      4    6   10   14   18   23   27   34   41   46   59   66   80   90  107  114  118  121  125  127 
LCS_GDT     K    52_A     K    52_A      9   13   48      4    6   10   14   18   23   27   34   42   52   59   66   80   96  108  114  118  121  125  127 
LCS_GDT     A    53_A     A    53_A      9   13   48      4    6   10   14   18   23   27   34   41   52   59   66   80   96  108  114  118  121  125  127 
LCS_GDT     G    54_A     G    54_A      9   13   48      3    3   10   12   18   23   27   34   41   46   55   61   80   90  107  114  118  121  125  127 
LCS_GDT     A    55_A     A    55_A      9   13   48      4    6   10   14   18   23   27   34   41   52   59   66   80   96  108  114  118  121  125  127 
LCS_GDT     E    56_A     E    56_A      9   13   48      4    5    9   12   18   23   27   34   42   52   59   66   84   99  108  114  118  121  125  127 
LCS_GDT     Y    57_A     Y    57_A      9   13   48      4    6   10   14   18   23   27   34   41   52   55   66   84   99  108  114  118  121  125  127 
LCS_GDT     V    58_A     V    58_A      9   13   48      4    6   10   12   18   23   27   34   41   52   55   66   84   99  108  114  118  121  125  127 
LCS_GDT     A    59_A     A    59_A      6   13   48      4    5   10   14   18   23   27   34   41   52   56   69   86   99  108  114  118  121  125  127 
LCS_GDT     T    60_A     T    60_A      6   13   73      3    5   10   14   18   23   27   34   45   54   63   81   95   99  108  114  118  121  125  127 
LCS_GDT     P    61_A     P    61_A      4   12   73      3    8   21   31   40   46   50   52   54   57   68   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y    62_A     Y    62_A      4    5   73      3    3   21   32   40   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     L    63_A     L    63_A      4   14   73      0    3    5    8   11   21   25   32   46   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     K    64_A     K    64_A     10   19   73      5   11   18   23   25   26   37   46   53   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T    65_A     T    65_A     10   19   73      5   11   18   23   25   26   37   42   53   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     E    66_A     E    66_A     10   19   73      5   11   18   23   25   26   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     V    67_A     V    67_A     10   19   73      5   11   18   23   25   26   29   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     M    68_A     M    68_A     10   19   73      5   11   18   23   25   26   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T    69_A     T    69_A     10   19   73      5   11   18   23   25   26   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     E    70_A     E    70_A     10   19   73      5   11   18   23   25   26   37   42   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y    71_A     Y    71_A     10   19   73      3    9   18   23   25   26   29   38   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     N    72_A     N    72_A     10   19   73      3    9   13   22   25   26   28   38   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T    73_A     T    73_A     10   19   73      3    7   13   18   22   25   28   38   48   56   67   84   95   99  108  114  118  121  125  127 
LCS_GDT     D    74_A     D    74_A      7   19   75      3    6    9   12   18   24   28   33   46   55   65   81   94   99  108  114  118  121  125  127 
LCS_GDT     N    75_A     N    75_A      7   19   75      3    4    9   12   18   24   28   33   46   55   65   81   95   99  108  114  118  121  125  127 
LCS_GDT     T    76_A     T    76_A      7   19   75      3    6    9   11   18   23   28   33   46   55   70   85   95   99  108  114  118  121  125  127 
LCS_GDT     F    77_A     F    77_A      6   19   75      4   10   18   23   25   26   28   38   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     R    78_A     R    78_A      6   19   75      4   10   18   23   25   26   28   38   46   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     V    79_A     V    79_A      6   19   75      4   10   18   23   25   26   29   38   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T    80_A     T    80_A      6   19   75      4   10   18   23   25   26   29   38   50   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     V    81_A     V    81_A      6   19   75      3   11   18   23   25   26   29   38   53   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     V    82_A     V    82_A      6   19   75      3    6    9   17   19   25   29   46   48   57   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T    83_A     T    83_A      5   14   75      3    9   14   23   30   38   45   50   53   57   65   82   95   99  108  114  118  121  125  127 
LCS_GDT     E    84_A     E    84_A      7   14   75      3    5    7   10   14   17   31   38   46   52   60   68   73   82   97  108  115  121  125  127 
LCS_GDT     G    85_A     G    85_A      7   14   75      3   13   25   31   40   46   49   51   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     R    86_A     R    86_A      7   14   75      4   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y    87_A     Y    87_A      7   14   75      3   16   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     P    88_A     P    88_A      7   14   75      3    5   23   36   41   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     V    89_A     V    89_A      7   14   75      3   15   26   38   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     D    90_A     D    90_A      7   14   75      0    4   11   15   30   41   49   52   54   57   63   79   90   99  108  114  118  121  125  127 
LCS_GDT     P    91_A     P    91_A      5   14   75      4    4    5    8   13   27   38   45   53   57   60   63   79   88  105  114  118  120  125  127 
LCS_GDT     N    92_A     N    92_A      5   14   75      4    5   11   24   40   46   50   52   54   57   63   79   88   99  108  114  118  121  125  127 
LCS_GDT     L    93_A     L    93_A      8   14   75      6   21   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     E    94_A     E    94_A      8   14   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     L    95_A     L    95_A      8   14   75      9   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     F    96_A     F    96_A      8   14   75      6   20   32   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     P    97_A     P    97_A      8   14   75      6   12   23   34   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     G    98_A     G    98_A      8   14   75      3    7   15   27   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     G    99_A     G    99_A      8   12   75      3   18   32   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     W   100_A     W   100_A      8   12   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y   101_A     Y   101_A      7   12   75      5   23   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T   102_A     T   102_A      7   12   75      3   18   28   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     W   103_A     W   103_A      7   12   75      4   18   32   39   41   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     N   104_A     N   104_A      3   12   75      3    3    5   29   40   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     N   105_A     N   105_A      5    6   75      3    4    5    7   25   26   28   30   39   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     S   106_A     S   106_A      5    6   75      3    4    5    5    6   16   39   47   54   57   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     S   107_A     S   107_A      5    6   75      3    4    5   19   28   37   44   51   54   57   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     L   108_A     L   108_A      5    6   75      3    4    5    5    5   33   41   50   54   57   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     N   109_A     N   109_A      5   24   75      1    3    5    5   32   36   41   48   52   57   72   84   95   99  108  114  118  121  125  127 
LCS_GDT     K   110_A     K   110_A     12   24   75      3   20   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     G   111_A     G   111_A     12   24   75      9   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     A   112_A     A   112_A     12   24   75      3   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     P   113_A     P   113_A     12   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y   114_A     Y   114_A     12   24   75      6   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T   115_A     T   115_A     12   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     R   116_A     R   116_A     12   24   75      9   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     A   117_A     A   117_A     12   24   75      9   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     E   118_A     E   118_A     12   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y   119_A     Y   119_A     12   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     K   120_A     K   120_A     12   24   75      5   21   35   39   42   46   50   52   54   57   73   85   95   99  108  114  118  121  125  127 
LCS_GDT     L   121_A     L   121_A     12   24   75      4   16   27   38   42   46   50   52   54   57   70   79   90   99  105  114  118  121  125  127 
LCS_GDT     T   122_A     T   122_A     12   24   75      4   16   26   37   42   46   50   52   54   57   68   79   87   95  105  114  118  119  125  127 
LCS_GDT     P   123_A     P   123_A     12   24   75      3    9   19   27   39   46   49   52   54   57   68   79   87   95  105  114  118  120  125  127 
LCS_GDT     D   124_A     D   124_A      8   24   75      3   11   25   38   42   46   50   52   54   57   68   79   87   96  105  114  118  120  125  127 
LCS_GDT     L   125_A     L   125_A      8   24   75      4   16   35   39   42   46   50   52   54   57   73   85   95   99  108  114  118  121  125  127 
LCS_GDT     K   126_A     K   126_A      8   24   75      7   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     L   127_A     L   127_A      8   24   75     10   24   35   39   42   46   50   52   54   58   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     L   128_A     L   128_A      8   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     S   129_A     S   129_A      8   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Q   130_A     Q   130_A      8   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     V   131_A     V   131_A      8   24   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     V   132_A     V   132_A      8   24   75      5   18   35   39   42   46   50   52   54   60   73   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y   133_A     Y   133_A      6   24   75      4    8   13   29   38   45   47   52   54   58   66   75   84   93  105  113  118  121  125  127 
LCS_GDT     N   134_A     N   134_A      6   12   75      4    7    8   14   22   31   43   49   54   55   57   65   73   87   90   99  105  117  123  127 
LCS_GDT     T   135_A     T   135_A      6   13   75      4    7    8   12   15   18   23   30   35   45   56   58   61   68   76   89   94   98  104  111 
LCS_GDT     D   136_A     D   136_A      6   13   75      4    7    8   12   15   19   25   39   48   53   57   58   64   68   80   89   94   98  104  111 
LCS_GDT     N   137_A     N   137_A      6   13   75      4    7    8   14   25   28   43   49   54   55   62   72   76   87   92   98  105  117  123  127 
LCS_GDT     T   138_A     T   138_A      4   13   75      3    4    5   12   25   38   46   49   54   56   64   72   79   87   93  101  110  117  123  127 
LCS_GDT     F   139_A     F   139_A      9   13   75      4   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     K   140_A     K   140_A      9   13   75      5   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     F   141_A     F   141_A      9   13   75      5   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     D   142_A     D   142_A      9   13   75      5   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     T   143_A     T   143_A      9   13   75     10   24   35   39   42   46   50   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     G   144_A     G   144_A      9   13   75     10   24   35   39   42   46   50   52   54   58   73   85   95   99  108  114  118  121  125  127 
LCS_GDT     L   145_A     L   145_A      9   13   75      5   24   35   39   42   46   50   52   54   58   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     E   146_A     E   146_A      9   13   75      4   21   35   39   42   46   50   52   54   58   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     Y   147_A     Y   147_A      9   13   75      5   24   35   39   42   46   50   52   54   58   74   85   95   99  108  114  118  121  125  127 
LCS_GDT     K   148_A     K   148_A      3   11   75      2    3    4   34   38   43   48   52   54   60   74   85   95   99  108  114  118  121  125  127 
LCS_AVERAGE  LCS_A:  16.03  (   4.34    8.43   35.34 )

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     10     24     35     39     42     46     50     52     54     60     74     85     95     99    108    114    118    121    125    127 
GDT PERCENT_AT   5.59  13.41  19.55  21.79  23.46  25.70  27.93  29.05  30.17  33.52  41.34  47.49  53.07  55.31  60.34  63.69  65.92  67.60  69.83  70.95
GDT RMS_LOCAL    0.33   0.67   0.98   1.12   1.40   1.54   1.78   1.96   2.08   3.91   4.48   4.75   4.99   5.10   5.47   5.65   5.75   5.89   6.02   6.13
GDT RMS_ALL_AT   8.59   8.37   8.25   8.26   8.57   8.31   8.24   8.29   8.35   7.20   6.96   6.78   6.74   6.75   6.71   6.80   6.77   6.72   6.73   6.71

# Checking swapping
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  F    77_A      F    77_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  D   124_A      D   124_A
#   possible swapping detected:  Y   133_A      Y   133_A
#   possible swapping detected:  F   139_A      F   139_A
#   possible swapping detected:  D   142_A      D   142_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T    14_A      T    14_A    11.738     0    0.142   0.982    12.775    0.000    0.408
LGA    Y    15_A      Y    15_A    14.417     0    0.107   0.188    20.660    0.000    0.000
LGA    N    16_A      N    16_A    14.456     0    0.194   0.952    15.985    0.000    0.000
LGA    T    17_A      T    17_A    15.514     0    0.021   0.185    16.698    0.000    0.000
LGA    D    18_A      D    18_A    12.341     0    0.107   0.186    14.203    0.000    0.119
LGA    N    19_A      N    19_A    14.616     0    0.645   1.013    18.902    0.000    0.000
LGA    T    20_A      T    20_A    11.630     0    0.100   1.204    12.819    0.000    0.000
LGA    F    21_A      F    21_A    10.835     0    0.039   1.238    14.663    0.000    0.000
LGA    K    22_A      K    22_A     9.222     0    0.026   0.853    13.275    0.952    0.741
LGA    G    23_A      G    23_A     9.551     0    0.058   0.058     9.551    1.190    1.190
LGA    G    24_A      G    24_A     9.390     0    0.045   0.045     9.486    1.429    1.429
LGA    S    25_A      S    25_A     9.597     0    0.045   0.060     9.668    0.476    0.476
LGA    Y    26_A      Y    26_A     9.719     0    0.026   0.138     9.746    0.476    0.476
LGA    A    27_A      A    27_A     9.715     0    0.091   0.123    10.095    0.238    0.476
LGA    K    28_A      K    28_A    10.742     0    0.020   0.883    11.284    0.000    0.317
LGA    Y    29_A      Y    29_A    11.990     0    0.232   1.289    12.848    0.000    0.000
LGA    V    30_A      V    30_A    11.678     0    0.059   0.102    11.869    0.000    0.000
LGA    L    31_A      L    31_A    11.312     0    0.162   0.952    11.626    0.000    0.000
LGA    S    32_A      S    32_A    12.757     0    0.682   0.867    15.690    0.000    0.000
LGA    P    33_A      P    33_A     9.362     0    0.611   0.542    10.287    0.476    1.429
LGA    N    34_A      N    34_A    13.786     0    0.526   1.021    19.757    0.000    0.000
LGA    L    35_A      L    35_A    11.385     0    0.172   0.786    12.756    0.000    0.000
LGA    A    36_A      A    36_A    11.519     0    0.068   0.086    11.519    0.000    0.000
LGA    L    37_A      L    37_A    10.778     0    0.053   0.201    11.561    0.000    0.000
LGA    K    38_A      K    38_A    10.295     0    0.019   0.613    10.770    0.000    0.106
LGA    G    39_A      G    39_A     9.791     0    0.115   0.115    10.024    0.357    0.357
LGA    E    40_A      E    40_A     9.353     0    0.155   1.266     9.520    1.786    4.550
LGA    Y    41_A      Y    41_A    10.505     0    0.048   0.090    12.932    0.000    0.000
LGA    E    42_A      E    42_A     9.738     0    0.134   0.758    10.842    0.238    0.423
LGA    W    43_A      W    43_A    11.964     0    0.159   0.594    19.736    0.000    0.000
LGA    N    44_A      N    44_A    11.665     0    0.080   0.972    13.362    0.000    0.714
LGA    N    45_A      N    45_A    15.117     0    0.027   1.269    15.930    0.000    0.000
LGA    S    46_A      S    46_A    13.477     0    0.696   0.857    13.742    0.000    0.000
LGA    S    47_A      S    47_A    12.336     0    0.364   0.705    13.552    0.000    0.000
LGA    L    48_A      L    48_A     9.005     0    0.366   1.136    10.122    1.071    6.131
LGA    N    49_A      N    49_A     9.494     0    0.639   1.379    12.388    0.714    1.369
LGA    S    50_A      S    50_A    14.708     0    0.630   0.669    16.059    0.000    0.000
LGA    F    51_A      F    51_A    14.422     0    0.113   1.307    22.013    0.000    0.000
LGA    K    52_A      K    52_A    12.228     0    0.128   0.913    13.015    0.000    0.000
LGA    A    53_A      A    53_A    13.191     0    0.087   0.117    13.678    0.000    0.000
LGA    G    54_A      G    54_A    13.254     0    0.217   0.217    13.933    0.000    0.000
LGA    A    55_A      A    55_A    12.559     0    0.134   0.175    13.564    0.000    0.000
LGA    E    56_A      E    56_A    10.613     0    0.178   0.883    12.108    0.000    0.265
LGA    Y    57_A      Y    57_A    11.244     0    0.046   1.231    19.548    0.119    0.040
LGA    V    58_A      V    58_A    10.524     0    0.102   1.203    12.932    0.000    0.000
LGA    A    59_A      A    59_A     9.983     0    0.604   0.562    10.205    0.357    0.381
LGA    T    60_A      T    60_A     8.086     0    0.176   0.882    10.634   13.810    7.959
LGA    P    61_A      P    61_A     3.598     0    0.063   0.068     6.364   43.810   33.673
LGA    Y    62_A      Y    62_A     3.618     0    0.637   0.489     8.499   43.452   28.849
LGA    L    63_A      L    63_A     7.670     0    0.647   1.050    14.389    9.643    4.821
LGA    K    64_A      K    64_A     8.442     0    0.616   0.973    14.709    6.667    3.016
LGA    T    65_A      T    65_A     8.166     0    0.041   1.113     9.299    3.810    6.122
LGA    E    66_A      E    66_A     8.832     0    0.177   1.082     8.947    3.333    6.984
LGA    V    67_A      V    67_A     8.653     0    0.108   0.105     9.466    2.500    2.653
LGA    M    68_A      M    68_A     8.319     0    0.104   1.064    11.465    5.357    5.595
LGA    T    69_A      T    69_A     8.442     0    0.044   0.171     8.842    3.333    3.401
LGA    E    70_A      E    70_A     8.543     0    0.104   1.243    11.547    3.333    1.958
LGA    Y    71_A      Y    71_A     8.502     0    0.077   0.775     9.006    2.976    8.214
LGA    N    72_A      N    72_A    10.262     0    0.107   0.680    12.393    0.238    0.119
LGA    T    73_A      T    73_A    11.316     0    0.152   0.888    13.896    0.000    0.000
LGA    D    74_A      D    74_A    12.356     0    0.683   0.560    13.562    0.000    0.000
LGA    N    75_A      N    75_A    11.585     0    0.346   0.795    13.346    0.119    0.060
LGA    T    76_A      T    76_A    10.735     0    0.029   0.230    14.740    0.000    0.000
LGA    F    77_A      F    77_A     8.975     0    0.506   1.394     9.060    2.857    4.719
LGA    R    78_A      R    78_A     8.958     0    0.029   0.661     9.945    2.857    1.429
LGA    V    79_A      V    79_A     8.638     0    0.079   1.075    10.276    3.810    4.490
LGA    T    80_A      T    80_A     8.514     0    0.049   0.780     8.824    3.333    3.741
LGA    V    81_A      V    81_A     7.603     0    0.043   1.035     7.860    7.857   11.905
LGA    V    82_A      V    82_A     8.300     0    0.087   1.089    11.296    5.357    4.150
LGA    T    83_A      T    83_A     6.963     0    0.624   0.622     8.741    8.333   14.014
LGA    E    84_A      E    84_A     9.144     0    0.652   1.078    16.547    4.048    1.799
LGA    G    85_A      G    85_A     4.499     0    0.090   0.090     5.862   33.333   33.333
LGA    R    86_A      R    86_A     1.774     0    0.050   1.206     8.085   72.976   42.987
LGA    Y    87_A      Y    87_A     1.734     0    0.060   1.200     3.313   79.286   67.897
LGA    P    88_A      P    88_A     2.736     0    0.153   0.188     4.973   54.048   47.007
LGA    V    89_A      V    89_A     1.908     0    0.580   0.694     3.027   70.833   66.190
LGA    D    90_A      D    90_A     5.430     0    0.532   0.826     7.189   26.548   19.524
LGA    P    91_A      P    91_A     7.178     0    0.632   0.740     9.357   13.452    9.320
LGA    N    92_A      N    92_A     3.786     0    0.274   0.335     6.615   48.810   40.060
LGA    L    93_A      L    93_A     0.520     0    0.161   0.735     2.043   90.833   83.036
LGA    E    94_A      E    94_A     0.878     0    0.009   0.924     3.524   90.476   81.270
LGA    L    95_A      L    95_A     1.451     0    0.027   0.823     5.082   75.119   65.179
LGA    F    96_A      F    96_A     2.402     0    0.163   0.233     2.742   66.786   64.113
LGA    P    97_A      P    97_A     3.236     0    0.139   0.190     5.468   48.333   41.156
LGA    G    98_A      G    98_A     3.304     0    0.189   0.189     3.304   57.262   57.262
LGA    G    99_A      G    99_A     1.885     0    0.113   0.113     2.549   71.071   71.071
LGA    W   100_A      W   100_A     0.447     0    0.034   0.850     6.741   92.857   55.340
LGA    Y   101_A      Y   101_A     1.478     0    0.120   0.278     2.114   77.143   72.262
LGA    T   102_A      T   102_A     2.545     0    0.247   1.269     4.607   57.262   55.782
LGA    W   103_A      W   103_A     2.332     0    0.634   1.569     5.459   73.214   53.163
LGA    N   104_A      N   104_A     2.971     0    0.565   1.234     5.512   43.690   47.738
LGA    N   105_A      N   105_A     8.230     0    0.439   1.057    10.396    7.381    4.405
LGA    S   106_A      S   106_A     7.584     0    0.367   0.550     7.785    9.405   10.159
LGA    S   107_A      S   107_A     7.328     0    0.042   0.628     8.082    7.262   10.635
LGA    L   108_A      L   108_A     7.822     0    0.581   0.782    10.629    8.571    5.536
LGA    N   109_A      N   109_A     7.559     0    0.628   1.403    11.221   16.190    8.155
LGA    K   110_A      K   110_A     1.244     0    0.651   1.067     9.357   75.833   50.265
LGA    G   111_A      G   111_A     0.554     0    0.096   0.096     1.024   88.214   88.214
LGA    A   112_A      A   112_A     1.155     0    0.128   0.170     1.686   88.214   85.143
LGA    P   113_A      P   113_A     0.626     0    0.018   0.027     1.045   90.476   89.184
LGA    Y   114_A      Y   114_A     1.129     0    0.143   1.251     9.121   81.548   52.500
LGA    T   115_A      T   115_A     0.834     0    0.141   1.338     3.234   90.476   79.728
LGA    R   116_A      R   116_A     1.226     0    0.123   1.398     4.032   75.119   68.312
LGA    A   117_A      A   117_A     1.272     0    0.109   0.142     1.464   81.429   81.429
LGA    E   118_A      E   118_A     0.931     0    0.039   0.898     2.269   85.952   78.783
LGA    Y   119_A      Y   119_A     1.107     0    0.083   0.293     3.234   88.214   73.492
LGA    K   120_A      K   120_A     0.963     0    0.018   0.957     7.513   88.333   61.429
LGA    L   121_A      L   121_A     2.327     0    0.612   0.807     5.690   52.262   61.905
LGA    T   122_A      T   122_A     3.160     0    0.546   0.617     6.301   52.024   44.626
LGA    P   123_A      P   123_A     3.888     0    0.635   0.650     6.277   43.452   34.082
LGA    D   124_A      D   124_A     2.614     0    0.283   0.330     4.187   62.976   54.048
LGA    L   125_A      L   125_A     1.549     0    0.171   1.365     5.150   75.000   64.345
LGA    K   126_A      K   126_A     1.046     0    0.261   0.416     3.674   85.952   74.656
LGA    L   127_A      L   127_A     0.716     0    0.108   1.085     3.420   92.857   79.107
LGA    L   128_A      L   128_A     0.958     0    0.040   0.877     3.212   90.476   80.952
LGA    S   129_A      S   129_A     0.842     0    0.078   0.589     2.940   90.476   84.921
LGA    Q   130_A      Q   130_A     0.806     0    0.050   1.056     3.014   90.476   84.021
LGA    V   131_A      V   131_A     0.927     0    0.089   1.092     3.573   90.476   79.932
LGA    V   132_A      V   132_A     1.421     0    0.113   0.143     2.209   73.095   73.061
LGA    Y   133_A      Y   133_A     4.131     0    0.161   0.185     5.457   36.190   31.310
LGA    N   134_A      N   134_A     7.491     0    0.032   0.908     9.261    8.214    6.131
LGA    T   135_A      T   135_A    11.485     0    0.132   1.134    15.163    0.000    0.000
LGA    D   136_A      D   136_A    11.417     0    0.400   1.339    12.345    0.000    0.000
LGA    N   137_A      N   137_A     7.784     0    0.665   1.284     8.514   14.643   12.024
LGA    T   138_A      T   138_A     6.396     0    0.098   1.130     8.714   28.452   18.027
LGA    F   139_A      F   139_A     1.118     0    0.568   0.535     9.851   75.476   37.835
LGA    K   140_A      K   140_A     0.862     0    0.186   0.846     2.153   88.214   79.841
LGA    F   141_A      F   141_A     0.686     0    0.029   0.604     2.100   90.476   81.732
LGA    D   142_A      D   142_A     0.977     0    0.027   0.869     2.991   90.476   80.833
LGA    T   143_A      T   143_A     0.365     0    0.187   0.342     0.777   95.238   94.558
LGA    G   144_A      G   144_A     0.617     0    0.089   0.089     0.701   92.857   92.857
LGA    L   145_A      L   145_A     0.805     0    0.052   0.843     2.516   85.952   81.786
LGA    E   146_A      E   146_A     1.332     0    0.133   0.787     5.109   79.286   64.233
LGA    Y   147_A      Y   147_A     0.875     0    0.106   0.351     3.432   79.405   68.571
LGA    K   148_A      K   148_A     4.219     0    0.023   0.858     5.919   50.595   36.508

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      135     540    540  100.00    1092   1092  100.00               179
SUMMARY(RMSD_GDC):     6.670          6.625                  7.205           23.641   20.693

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  179    4.0     52    1.96    31.983    25.911     2.520

LGA_LOCAL      RMSD:   1.964  Number of atoms:   52  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.289  Number of assigned atoms:  135 
Std_ASGN_ATOMS RMSD:   6.670  Standard rmsd on all 135 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.106644 * X  +  -0.518109 * Y  +   0.848640 * Z  +  -6.841876
  Y_new =   0.334544 * X  +   0.785048 * Y  +   0.521325 * Z  + -37.020885
  Z_new =  -0.936327 * X  +   0.339504 * Y  +   0.089609 * Z  +  16.759420 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.879388  1.212018  1.312740   [DEG:  107.6810   69.4435   75.2144 ]
ZXZ:  2.121669  1.481067 -1.222949   [DEG:  121.5627   84.8589  -70.0698 ]
 
# END of job
