
#######################################################
#                                                     #
#                        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  134 ( 1085),  selected  134 , name one
# Molecule2: number of CA atoms  179 ( 1442),  selected  134 , 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:    85      64_A - 148_A       4.99     7.16
  LCS_AVERAGE:     41.27

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24     110_A - 133_A       1.98     7.49
  LONGEST_CONTINUOUS_SEGMENT:    24     111_A - 134_A       1.82     7.92
  LCS_AVERAGE:      9.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    13      16_A - 28_A        0.99    12.97
  LCS_AVERAGE:      4.69

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  134
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     Y    15_A     Y    15_A      4   17   44      5    6   12   16   19   22   28   33   38   48   55   67   79   91  106  112  116  119  124  127 
LCS_GDT     N    16_A     N    16_A     13   17   44      5    9   12   16   19   22   27   33   36   45   50   56   71   82   89  110  114  118  122  126 
LCS_GDT     T    17_A     T    17_A     13   17   44      5    9   12   16   19   22   27   33   36   39   46   47   56   71   85   94  101  111  120  123 
LCS_GDT     D    18_A     D    18_A     13   17   44      5    7   12   16   19   22   27   33   36   42   46   54   62   79   89  101  114  118  122  126 
LCS_GDT     N    19_A     N    19_A     13   17   44      3    6   10   16   19   22   24   33   36   42   50   54   62   77   89  110  114  118  122  126 
LCS_GDT     T    20_A     T    20_A     13   17   44      3    9   12   16   19   22   28   33   38   45   55   68   82   94  106  113  117  121  125  127 
LCS_GDT     F    21_A     F    21_A     13   17   44      4    9   12   16   19   22   28   33   38   51   59   70   85  100  108  115  120  122  125  127 
LCS_GDT     K    22_A     K    22_A     13   17   44      3    9   12   16   19   24   28   33   46   59   71   84   93  106  113  116  120  122  125  127 
LCS_GDT     G    23_A     G    23_A     13   17   44      4    9   12   16   21   24   28   33   46   52   62   79   88  104  113  116  120  122  125  127 
LCS_GDT     G    24_A     G    24_A     13   17   44      4    9   12   16   21   24   28   38   48   61   72   86   95  107  113  116  120  122  125  127 
LCS_GDT     S    25_A     S    25_A     13   17   44      4    9   12   16   21   24   30   41   48   61   72   86   92  106  113  116  120  122  125  127 
LCS_GDT     Y    26_A     Y    26_A     13   17   44      4    9   12   16   21   24   32   42   52   64   78   86  101  107  113  116  120  122  125  127 
LCS_GDT     A    27_A     A    27_A     13   17   44      4    9   12   16   21   25   32   42   52   64   78   86  101  107  113  116  120  122  125  127 
LCS_GDT     K    28_A     K    28_A     13   17   58      4    9   12   16   21   24   32   42   50   64   74   86   97  107  113  116  120  122  125  127 
LCS_GDT     Y    29_A     Y    29_A     10   17   58      4    9   12   16   21   24   32   42   50   64   74   86   97  107  113  116  120  122  125  127 
LCS_GDT     V    30_A     V    30_A      6   17   58      4    6    9   16   20   30   40   51   59   70   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L    31_A     L    31_A      8   17   58      4    7   11   19   20   32   42   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     S    32_A     S    32_A      8   15   58      4    7   11   21   33   38   42   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     P    33_A     P    33_A      8   15   58      4    8   19   29   36   39   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     N    34_A     N    34_A      8   15   58      4    7   11   19   20   32   42   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L    35_A     L    35_A      8   15   58      3    6   11   19   28   36   42   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     A    36_A     A    36_A      8   15   58      3    7   11   19   20   30   40   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L    37_A     L    37_A      8   15   58      3    6   11   19   20   25   32   46   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     K    38_A     K    38_A      8   15   58      3    6   10   19   20   25   32   42   57   70   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     G    39_A     G    39_A      8   15   58      3    7   11   19   20   25   35   49   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E    40_A     E    40_A      7   15   58      3    7   11   19   20   30   40   50   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y    41_A     Y    41_A      7   15   58      3    7   11   19   20   30   37   50   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E    42_A     E    42_A      7   15   58      3    6   11   19   20   30   37   50   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     W    43_A     W    43_A      6   15   58      5    6   10   15   20   25   32   42   53   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     N    44_A     N    44_A      6   15   58      3    6   10   16   21   24   28   40   50   69   80   88  101  107  113  116  120  122  125  127 
LCS_GDT     N    45_A     N    45_A      6    9   58      4    5    6    9   19   20   28   33   38   51   62   84   91  104  113  116  120  122  125  127 
LCS_GDT     S    46_A     S    46_A      6    9   58      3    5   12   16   21   24   29   40   50   70   80   87  101  107  113  116  120  122  125  127 
LCS_GDT     S    47_A     S    47_A      6    9   58      4    6   10   15   18   22   35   49   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L    48_A     L    48_A      6    9   58      4    5   10   16   24   36   42   50   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     N    49_A     N    49_A      6   10   58      4    5   10   12   16   29   37   43   55   64   78   91  101  107  113  116  120  122  125  127 
LCS_GDT     S    50_A     S    50_A      6   11   58      3    5    7    9   14   20   33   37   44   56   65   76   82   92  112  116  120  122  125  127 
LCS_GDT     F    51_A     F    51_A      6   11   58      3    5    7   10   15   23   32   38   50   62   76   91  101  107  113  116  120  122  125  127 
LCS_GDT     K    52_A     K    52_A      6   11   58      3    4    7    8   24   29   33   42   53   62   76   91  101  107  113  116  120  122  125  127 
LCS_GDT     A    53_A     A    53_A      6   11   58      3    5    7   10   15   23   32   41   53   63   76   91  101  107  113  116  120  122  125  127 
LCS_GDT     G    54_A     G    54_A      6   11   58      3    5    7   10   14   21   27   41   53   62   76   91  101  107  113  116  120  122  125  127 
LCS_GDT     A    55_A     A    55_A      6   11   58      3    5    7    9   13   19   27   41   51   62   76   91  101  107  113  116  120  122  125  127 
LCS_GDT     E    56_A     E    56_A      6   13   58      3    5    7   10   14   18   27   41   53   63   76   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y    57_A     Y    57_A     11   13   58      3    8   11   14   15   17   22   25   42   58   76   91  101  107  113  116  120  122  125  127 
LCS_GDT     V    58_A     V    58_A     11   13   58      4    8   11   14   15   17   17   22   34   41   58   80   95  105  113  116  120  122  125  127 
LCS_GDT     A    59_A     A    59_A     11   13   58      3    7   11   14   15   17   17   22   34   40   58   80   93  103  113  116  120  122  125  127 
LCS_GDT     T    60_A     T    60_A     11   13   58      4    8   11   14   15   17   17   20   29   39   50   65   77   97  106  116  119  122  125  127 
LCS_GDT     P    61_A     P    61_A     11   13   58      4    8   11   14   15   17   17   21   29   39   50   66   77   97  106  116  119  122  125  127 
LCS_GDT     Y    62_A     Y    62_A     11   13   58      4    8   11   14   15   17   21   25   36   55   72   91  101  107  113  116  120  122  125  127 
LCS_GDT     L    63_A     L    63_A     11   13   72      4    8   11   14   15   17   23   29   51   69   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     K    64_A     K    64_A     11   13   85      3    8   11   14   16   21   39   49   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     T    65_A     T    65_A     11   13   85      3    7   11   14   20   30   39   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E    66_A     E    66_A     11   18   85      3    8   11   14   26   34   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     V    67_A     V    67_A     11   18   85      4    8   14   15   26   34   40   49   55   70   80   88  101  107  113  116  120  122  125  127 
LCS_GDT     M    68_A     M    68_A      8   18   85      3    8   14   15   26   34   43   51   59   71   80   88  101  107  113  116  120  122  125  127 
LCS_GDT     T    69_A     T    69_A      8   18   85      4    8   14   15   21   34   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E    70_A     E    70_A      8   18   85      4    8   14   15   21   24   32   42   52   70   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y    71_A     Y    71_A      8   18   85      3    8   14   15   21   24   32   42   57   70   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     N    72_A     N    72_A      8   18   85      4    8   14   15   19   24   32   41   48   64   78   88  101  107  113  116  120  122  125  127 
LCS_GDT     T    73_A     T    73_A      8   18   85      4    8   14   15   19   24   29   41   48   62   72   86   95  107  113  116  120  122  125  127 
LCS_GDT     D    74_A     D    74_A      8   18   85      4    8   14   15   19   24   32   41   48   62   74   88  101  107  113  116  120  122  125  127 
LCS_GDT     N    75_A     N    75_A      8   18   85      3    6    9   15   19   24   32   41   50   62   77   91  101  107  113  116  120  122  125  127 
LCS_GDT     T    76_A     T    76_A      7   18   85      4    6    9   13   20   25   32   41   50   64   79   91  101  107  113  116  120  122  125  127 
LCS_GDT     F    77_A     F    77_A      7   18   85      4    7   10   14   21   24   32   42   52   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     R    78_A     R    78_A      7   18   85      4    8   14   15   19   25   32   41   52   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     V    79_A     V    79_A      7   18   85      4    8   14   15   20   25   32   42   53   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     T    80_A     T    80_A      7   18   85      4    8   14   15   21   25   32   42   52   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     V    81_A     V    81_A      7   18   85      4    7   14   15   21   26   37   46   52   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     V    82_A     V    82_A      7   18   85      4    7   14   17   21   27   32   46   50   69   80   88  101  107  113  116  120  122  125  127 
LCS_GDT     T    83_A     T    83_A      7   18   85      3    7   10   14   21   26   32   46   55   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E    84_A     E    84_A      3    8   85      3    4   11   19   30   38   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     G    85_A     G    85_A      3    6   85      3    3    4   12   16   20   39   50   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     R    86_A     R    86_A      4   13   85      0    4    5   10   18   22   31   45   55   69   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y    87_A     Y    87_A      4   13   85      3    4    5   12   18   28   36   44   55   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     P    88_A     P    88_A      4   13   85      3    4    5   12   18   24   35   44   53   64   79   91  101  107  113  116  120  122  125  127 
LCS_GDT     V    89_A     V    89_A      4   13   85      3    6   14   24   31   37   41   46   55   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     D    90_A     D    90_A      3   13   85      0    3    6   11   18   26   32   38   49   60   71   83   92  103  110  116  120  122  125  127 
LCS_GDT     P    91_A     P    91_A      4   13   85      3    4    6    7   11   18   32   35   43   47   63   74   89   97  107  112  118  122  125  127 
LCS_GDT     N    92_A     N    92_A      9   13   85      3    6   14   20   33   40   43   46   55   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L    93_A     L    93_A      9   13   85      6   17   26   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E    94_A     E    94_A      9   13   85      6   17   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L    95_A     L    95_A      9   13   85      6   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     F    96_A     F    96_A      9   13   85      4   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     P    97_A     P    97_A      9   13   85      4   15   26   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     G    98_A     G    98_A      9   13   85      4    8   24   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     G    99_A     G    99_A      9   13   85      4   12   26   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     W   100_A     W   100_A      9   11   85      5   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y   101_A     Y   101_A      9   11   85      0    6   12   29   37   39   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     T   102_A     T   102_A      5   11   85      2    5   10   25   32   37   41   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     W   103_A     W   103_A      5    7   85      4    5   11   15   20   29   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     N   104_A     N   104_A      5    7   85      4    5   14   15   19   25   32   41   53   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     N   105_A     N   105_A      5    7   85      4    5    6   10   13   19   25   32   48   59   77   91  101  107  113  116  120  122  125  127 
LCS_GDT     S   106_A     S   106_A      5    7   85      4    5    6   10   16   19   25   31   36   46   57   77   96  106  112  116  120  122  125  127 
LCS_GDT     S   107_A     S   107_A      5    7   85      3    4    7   11   16   22   31   44   55   70   79   91  101  107  113  116  120  122  125  127 
LCS_GDT     L   108_A     L   108_A      3    6   85      0    3    3    9   13   17   21   28   33   46   63   76   88   96  107  113  119  122  125  126 
LCS_GDT     N   109_A     N   109_A      4   11   85      1    3    5    8   15   25   32   44   55   66   79   91  101  107  113  116  120  122  125  127 
LCS_GDT     K   110_A     K   110_A      4   24   85      0    3    5    8   15   25   33   44   55   70   79   91  101  107  113  116  120  122  125  127 
LCS_GDT     G   111_A     G   111_A     10   24   85      5    8   20   30   37   40   43   49   59   70   79   91  101  107  113  116  120  122  125  127 
LCS_GDT     A   112_A     A   112_A     12   24   85      3   12   26   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     P   113_A     P   113_A     12   24   85      5   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y   114_A     Y   114_A     12   24   85      5   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     T   115_A     T   115_A     12   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     R   116_A     R   116_A     12   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     A   117_A     A   117_A     12   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E   118_A     E   118_A     12   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y   119_A     Y   119_A     12   24   85     10   17   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     K   120_A     K   120_A     12   24   85      7   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L   121_A     L   121_A     12   24   85      4   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     T   122_A     T   122_A     12   24   85      4    9   26   34   38   40   43   49   55   71   80   89  101  107  113  116  120  122  125  127 
LCS_GDT     P   123_A     P   123_A     12   24   85      3    9   19   32   37   40   43   49   55   71   80   88  101  107  113  116  120  122  125  127 
LCS_GDT     D   124_A     D   124_A     10   24   85      3    8   22   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L   125_A     L   125_A     10   24   85      3   15   24   33   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     K   126_A     K   126_A     10   24   85      4   15   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L   127_A     L   127_A     10   24   85      9   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L   128_A     L   128_A     10   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     S   129_A     S   129_A     10   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Q   130_A     Q   130_A     10   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     V   131_A     V   131_A     10   24   85     10   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     V   132_A     V   132_A     10   24   85     10   17   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y   133_A     Y   133_A     10   24   85      5   13   26   32   38   40   43   51   59   70   78   88  101  107  113  116  120  122  125  127 
LCS_GDT     N   134_A     N   134_A      7   24   85      4    7   15   26   34   39   43   49   52   64   70   85   94  107  112  116  120  122  125  127 
LCS_GDT     T   135_A     T   135_A      7   22   85      3    7   10   16   26   32   38   44   47   53   58   69   82   89  101  113  117  122  124  126 
LCS_GDT     D   136_A     D   136_A      7   22   85      4    7   10   16   25   32   41   44   49   53   57   69   82   87   95  108  115  122  123  126 
LCS_GDT     N   137_A     N   137_A      7   22   85      4    9   21   28   34   39   43   49   52   64   70   85   94  103  112  116  120  122  125  127 
LCS_GDT     T   138_A     T   138_A      4   22   85      3    4    5   25   34   39   43   49   52   64   70   82   93  102  112  116  120  122  125  127 
LCS_GDT     F   139_A     F   139_A      7   22   85      4   12   26   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     K   140_A     K   140_A      8   22   85      4   15   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     F   141_A     F   141_A      8   22   85      4   14   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     D   142_A     D   142_A      8   22   85      5   11   24   34   38   40   43   51   59   70   80   88  101  107  113  116  120  122  125  127 
LCS_GDT     T   143_A     T   143_A      8   22   85      5   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     G   144_A     G   144_A      8   22   85      5   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     L   145_A     L   145_A      8   22   85      7   19   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     E   146_A     E   146_A      8   22   85      5   16   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     Y   147_A     Y   147_A      8   22   85      3   17   27   34   38   40   43   51   59   71   80   91  101  107  113  116  120  122  125  127 
LCS_GDT     K   148_A     K   148_A      0   11   85      0    0    4    5    5    8   11   45   51   54   62   78   92  101  111  115  120  122  125  127 
LCS_AVERAGE  LCS_A:  18.41  (   4.69    9.29   41.27 )

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     19     27     34     38     40     43     51     59     71     80     91    101    107    113    116    120    122    125    127 
GDT PERCENT_AT   5.59  10.61  15.08  18.99  21.23  22.35  24.02  28.49  32.96  39.66  44.69  50.84  56.42  59.78  63.13  64.80  67.04  68.16  69.83  70.95
GDT RMS_LOCAL    0.33   0.72   0.98   1.21   1.39   1.53   1.87   2.69   3.20   3.77   3.96   4.51   4.70   4.85   5.07   5.14   5.29   5.39   5.56   5.70
GDT RMS_ALL_AT   7.86   7.88   7.72   7.91   7.91   7.88   8.20   7.19   6.65   6.49   6.47   6.36   6.34   6.37   6.30   6.36   6.33   6.29   6.31   6.25

# Checking swapping
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  F    96_A      F    96_A
#   possible swapping detected:  Y   101_A      Y   101_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:  Y   147_A      Y   147_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Y    15_A      Y    15_A    12.522     0    0.031   0.233    19.326    0.000    0.000
LGA    N    16_A      N    16_A    13.332     0    0.069   0.648    14.926    0.000    0.000
LGA    T    17_A      T    17_A    16.354     0    0.044   0.194    18.161    0.000    0.000
LGA    D    18_A      D    18_A    14.778     0    0.654   1.363    15.109    0.000    0.000
LGA    N    19_A      N    19_A    15.563     0    0.371   0.910    18.030    0.000    0.000
LGA    T    20_A      T    20_A    11.986     0    0.138   0.976    13.393    0.000    0.000
LGA    F    21_A      F    21_A    10.876     0    0.073   0.289    11.941    0.238    0.087
LGA    K    22_A      K    22_A     8.343     0    0.163   1.116    12.007    2.619    2.963
LGA    G    23_A      G    23_A     9.566     0    0.059   0.059     9.566    2.262    2.262
LGA    G    24_A      G    24_A     8.625     0    0.014   0.014     9.617    1.548    1.548
LGA    S    25_A      S    25_A     9.106     0    0.109   0.677    12.627    3.452    2.302
LGA    Y    26_A      Y    26_A     7.611     0    0.049   0.285     8.181    5.952    8.413
LGA    A    27_A      A    27_A     8.075     0    0.067   0.073     8.244    5.357    5.238
LGA    K    28_A      K    28_A     8.347     0    0.063   0.825     8.457    4.762    6.190
LGA    Y    29_A      Y    29_A     8.259     0    0.239   1.171     9.867    9.048    5.238
LGA    V    30_A      V    30_A     4.461     0    0.078   1.238     5.846   34.762   37.551
LGA    L    31_A      L    31_A     4.718     0    0.069   1.042     8.368   35.833   26.548
LGA    S    32_A      S    32_A     3.531     0    0.084   0.198     5.682   50.238   43.254
LGA    P    33_A      P    33_A     2.093     0    0.147   0.452     3.233   57.262   58.299
LGA    N    34_A      N    34_A     4.255     0    0.127   0.968     4.929   38.929   36.607
LGA    L    35_A      L    35_A     4.166     0    0.094   1.241     5.209   32.976   33.036
LGA    A    36_A      A    36_A     4.971     0    0.078   0.125     5.296   31.548   31.524
LGA    L    37_A      L    37_A     6.331     0    0.056   0.292     6.824   18.214   15.774
LGA    K    38_A      K    38_A     6.890     0    0.110   0.819     7.336   12.500   15.185
LGA    G    39_A      G    39_A     6.609     0    0.155   0.155     7.042   12.500   12.500
LGA    E    40_A      E    40_A     6.116     0    0.152   1.191     6.220   18.214   28.995
LGA    Y    41_A      Y    41_A     7.120     0    0.094   0.124     9.059   12.500    6.786
LGA    E    42_A      E    42_A     6.830     0    0.192   0.352     7.428   11.667   14.709
LGA    W    43_A      W    43_A     8.989     0    0.107   0.890    13.791    3.810    1.088
LGA    N    44_A      N    44_A     8.633     0    0.111   0.952    10.321    1.548    5.060
LGA    N    45_A      N    45_A    11.099     0    0.548   1.216    12.069    0.000    0.000
LGA    S    46_A      S    46_A     7.716     0    0.094   0.605     8.555    5.952    6.667
LGA    S    47_A      S    47_A     8.136     0    0.319   0.628     9.580    5.595    6.190
LGA    L    48_A      L    48_A     6.988     0    0.281   0.511     8.196   10.000   13.810
LGA    N    49_A      N    49_A    10.689     0    0.612   1.334    15.561    0.357    0.179
LGA    S    50_A      S    50_A    12.919     0    0.430   0.929    13.425    0.000    0.000
LGA    F    51_A      F    51_A    11.812     0    0.230   1.417    13.453    0.000    0.000
LGA    K    52_A      K    52_A    10.288     0    0.190   1.156    13.752    0.000    0.317
LGA    A    53_A      A    53_A    10.516     0    0.051   0.054    10.549    0.000    0.000
LGA    G    54_A      G    54_A    10.558     0    0.136   0.136    10.881    0.000    0.000
LGA    A    55_A      A    55_A     9.909     0    0.008   0.029    10.360    1.190    0.952
LGA    E    56_A      E    56_A     8.295     0    0.345   0.530     9.574    2.976    3.545
LGA    Y    57_A      Y    57_A     9.147     0    0.109   0.572    11.386    2.143    1.230
LGA    V    58_A      V    58_A    10.462     0    0.066   0.072    12.979    0.000    0.000
LGA    A    59_A      A    59_A    11.436     0    0.081   0.075    13.922    0.000    0.000
LGA    T    60_A      T    60_A    13.135     0    0.140   1.364    14.710    0.000    0.000
LGA    P    61_A      P    61_A    12.361     0    0.043   0.416    15.832    0.119    0.068
LGA    Y    62_A      Y    62_A     9.031     0    0.087   1.265    10.407    4.881    2.778
LGA    L    63_A      L    63_A     7.565     0    0.125   1.352    10.489    6.190    4.226
LGA    K    64_A      K    64_A     5.303     0    0.128   1.052     7.772   29.048   20.688
LGA    T    65_A      T    65_A     4.423     0    0.142   0.128     6.126   38.690   32.789
LGA    E    66_A      E    66_A     4.585     0    0.039   0.942     5.519   30.357   38.571
LGA    V    67_A      V    67_A     4.918     0    0.126   0.116     5.497   31.429   29.184
LGA    M    68_A      M    68_A     4.464     0    0.119   1.253     7.468   38.690   34.762
LGA    T    69_A      T    69_A     4.204     0    0.093   1.004     5.735   32.976   32.517
LGA    E    70_A      E    70_A     5.830     0    0.079   1.144    10.511   22.619   14.497
LGA    Y    71_A      Y    71_A     6.002     0    0.071   1.347     7.055   15.476   23.770
LGA    N    72_A      N    72_A     7.932     0    0.078   0.711    10.055    7.976    4.583
LGA    T    73_A      T    73_A     9.036     0    0.041   1.160    11.692    2.143    1.905
LGA    D    74_A      D    74_A    10.662     0    0.653   1.341    13.622    0.952    0.476
LGA    N    75_A      N    75_A     9.985     0    0.377   1.460    12.007    1.190    0.655
LGA    T    76_A      T    76_A     9.482     0    0.093   0.842    13.171    1.786    1.020
LGA    F    77_A      F    77_A     6.350     0    0.516   0.508    11.194   13.452   10.346
LGA    R    78_A      R    78_A     6.815     0    0.070   1.170     8.042   16.310   14.113
LGA    V    79_A      V    79_A     5.888     0    0.131   1.207     6.419   19.286   21.837
LGA    T    80_A      T    80_A     5.741     0    0.104   0.218     6.655   22.619   19.728
LGA    V    81_A      V    81_A     5.562     0    0.052   0.094     5.697   21.429   22.789
LGA    V    82_A      V    82_A     6.115     0    0.046   1.263     8.683   22.857   22.109
LGA    T    83_A      T    83_A     5.381     0    0.100   0.991     8.638   26.310   19.796
LGA    E    84_A      E    84_A     2.717     0    0.064   0.932     4.429   48.571   51.164
LGA    G    85_A      G    85_A     4.699     0    0.587   0.587     4.699   38.929   38.929
LGA    R    86_A      R    86_A     5.650     0    0.565   0.880    12.509   18.690    9.827
LGA    Y    87_A      Y    87_A     6.267     0    0.116   0.417    11.013   25.476   11.310
LGA    P    88_A      P    88_A     6.857     0    0.179   0.293     9.955   10.357    6.803
LGA    V    89_A      V    89_A     6.393     0    0.564   0.796     7.378   16.310   20.952
LGA    D    90_A      D    90_A     8.479     0    0.540   0.839     9.370    4.048    3.810
LGA    P    91_A      P    91_A     9.897     0    0.553   0.727    11.850    3.452    1.973
LGA    N    92_A      N    92_A     4.303     0    0.035   0.097     6.094   38.571   41.369
LGA    L    93_A      L    93_A     3.211     0    0.056   1.275     4.940   46.667   47.917
LGA    E    94_A      E    94_A     2.906     0    0.060   1.108     4.906   57.143   51.164
LGA    L    95_A      L    95_A     2.094     0    0.111   1.443     5.661   64.762   55.952
LGA    F    96_A      F    96_A     2.346     0    0.128   1.203     9.477   66.786   37.229
LGA    P    97_A      P    97_A     2.120     0    0.204   0.223     3.075   64.762   61.565
LGA    G    98_A      G    98_A     2.934     0    0.140   0.140     2.934   59.048   59.048
LGA    G    99_A      G    99_A     2.823     0    0.065   0.065     2.860   59.048   59.048
LGA    W   100_A      W   100_A     1.593     0    0.454   1.101     5.678   66.905   62.925
LGA    Y   101_A      Y   101_A     4.084     0    0.593   1.312     8.549   36.429   23.294
LGA    T   102_A      T   102_A     3.573     0    0.559   1.152     5.513   61.667   45.782
LGA    W   103_A      W   103_A     4.352     0    0.088   0.578    10.836   29.762   16.190
LGA    N   104_A      N   104_A     8.037     0    0.116   0.935     9.883    5.952    3.750
LGA    N   105_A      N   105_A    10.236     0    0.057   1.404    12.247    0.357    0.774
LGA    S   106_A      S   106_A    11.716     0    0.498   0.638    12.403    0.000    0.000
LGA    S   107_A      S   107_A     9.220     0    0.593   0.648    10.385    0.476    1.032
LGA    L   108_A      L   108_A    12.145     0    0.362   1.277    15.972    0.119    0.060
LGA    N   109_A      N   109_A     8.632     0    0.180   1.143    11.079    2.262    1.726
LGA    K   110_A      K   110_A     7.430     0    0.543   1.141    11.994   13.571    7.989
LGA    G   111_A      G   111_A     4.852     0    0.235   0.235     5.339   30.238   30.238
LGA    A   112_A      A   112_A     2.438     0    0.049   0.087     2.852   66.905   66.476
LGA    P   113_A      P   113_A     1.299     0    0.077   0.106     1.561   79.286   80.204
LGA    Y   114_A      Y   114_A     1.149     0    0.149   1.315     6.265   83.690   68.056
LGA    T   115_A      T   115_A     1.040     0    0.100   0.465     1.648   88.333   82.925
LGA    R   116_A      R   116_A     1.096     0    0.078   1.256     3.565   81.429   72.944
LGA    A   117_A      A   117_A     1.221     0    0.095   0.142     1.342   83.690   83.238
LGA    E   118_A      E   118_A     1.258     0    0.052   0.721     2.658   81.429   78.836
LGA    Y   119_A      Y   119_A     1.401     0    0.102   0.244     3.244   81.429   70.556
LGA    K   120_A      K   120_A     2.296     0    0.056   0.700     7.395   66.786   46.508
LGA    L   121_A      L   121_A     2.569     0    0.105   0.851     3.614   53.810   58.393
LGA    T   122_A      T   122_A     3.871     0    0.525   0.589     6.590   40.476   34.830
LGA    P   123_A      P   123_A     5.100     0    0.619   0.812     7.525   30.238   23.265
LGA    D   124_A      D   124_A     2.576     0    0.488   0.436     5.237   62.976   52.679
LGA    L   125_A      L   125_A     0.755     0    0.177   0.972     3.307   88.214   78.869
LGA    K   126_A      K   126_A     0.524     0    0.243   0.596     2.148   90.476   85.661
LGA    L   127_A      L   127_A     1.273     0    0.142   0.661     3.132   81.429   76.429
LGA    L   128_A      L   128_A     1.109     0    0.125   1.282     3.999   83.690   74.643
LGA    S   129_A      S   129_A     1.311     0    0.067   0.122     1.375   81.429   81.429
LGA    Q   130_A      Q   130_A     1.380     0    0.081   0.975     3.234   81.429   80.952
LGA    V   131_A      V   131_A     1.121     0    0.062   1.237     3.382   81.429   72.449
LGA    V   132_A      V   132_A     1.543     0    0.166   1.072     2.908   75.000   69.592
LGA    Y   133_A      Y   133_A     2.969     0    0.182   0.372     3.661   53.810   53.056
LGA    N   134_A      N   134_A     5.747     0    0.031   0.884     7.913   19.881   15.893
LGA    T   135_A      T   135_A     8.640     0    0.022   0.052    10.700    3.333    2.041
LGA    D   136_A      D   136_A     9.053     0    0.336   1.329    10.564    2.619    1.548
LGA    N   137_A      N   137_A     5.311     0    0.570   1.285     6.085   23.929   34.643
LGA    T   138_A      T   138_A     5.453     0    0.133   1.100     7.725   38.690   25.986
LGA    F   139_A      F   139_A     2.289     0    0.579   1.310     9.490   61.190   30.736
LGA    K   140_A      K   140_A     1.675     0    0.126   0.969     3.721   75.000   65.450
LGA    F   141_A      F   141_A     1.877     0    0.041   1.192     4.826   68.810   59.740
LGA    D   142_A      D   142_A     2.660     0    0.108   1.119     3.277   60.952   59.107
LGA    T   143_A      T   143_A     2.048     0    0.088   0.245     2.412   70.952   68.299
LGA    G   144_A      G   144_A     1.948     0    0.057   0.057     2.161   68.810   68.810
LGA    L   145_A      L   145_A     1.129     0    0.048   0.812     4.131   83.690   75.952
LGA    E   146_A      E   146_A     1.071     0    0.185   0.832     4.835   85.952   66.190
LGA    Y   147_A      Y   147_A     1.996     0    0.583   1.505     6.070   53.810   38.532
LGA    K   148_A      K   148_A     6.481     0    0.078   1.519     8.353   14.524   18.889

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      134     536    536  100.00    1085   1085  100.00               179
SUMMARY(RMSD_GDC):     6.221          6.183                  6.653           22.696   20.575

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  134  179    4.0     51    2.69    30.726    25.747     1.830

LGA_LOCAL      RMSD:   2.687  Number of atoms:   51  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.193  Number of assigned atoms:  134 
Std_ASGN_ATOMS RMSD:   6.221  Standard rmsd on all 134 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.007661 * X  +  -0.685676 * Y  +  -0.727867 * Z  +  70.586815
  Y_new =   0.924070 * X  +   0.273314 * Y  +  -0.267197 * Z  + -50.766624
  Z_new =   0.382146 * X  +  -0.674647 * Y  +   0.631518 * Z  +  -4.944284 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.579087 -0.392118 -0.818405   [DEG:   90.4750  -22.4667  -46.8912 ]
ZXZ: -1.218973  0.887286  2.626216   [DEG:  -69.8420   50.8378  150.4711 ]
 
# END of job
