
#######################################################
#                                                     #
#                        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  164 ( 1284),  selected  151 , name one
# Molecule2: number of CA atoms  151 ( 1194),  selected  151 , 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:   110      11_A - 120_A       4.80    11.20
  LCS_AVERAGE:     59.86

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      12_A - 108_A       1.99    11.68
  LONGEST_CONTINUOUS_SEGMENT:    97      13_A - 109_A       2.00    11.70
  LCS_AVERAGE:     48.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      51_A - 105_A       0.97    11.83
  LONGEST_CONTINUOUS_SEGMENT:    55      52_A - 106_A       0.97    11.81
  LONGEST_CONTINUOUS_SEGMENT:    55      53_A - 107_A       0.99    11.82
  LCS_AVERAGE:     21.49

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  151
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     Q    11_A     Q    11_A      3   96  110      3    3    6   16   40   77   85   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    12_A     A    12_A     17   97  110      3    4    4   54   73   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V    13_A     V    13_A     17   97  110      3   12   42   66   78   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    14_A     E    14_A     17   97  110     16   55   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    15_A     D    15_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F    16_A     F    16_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    17_A     L    17_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    18_A     R    18_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V    19_A     V    19_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     H    20_A     H    20_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     S    21_A     S    21_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    22_A     E    22_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    23_A     L    23_A     17   97  110     25   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V    24_A     V    24_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     H    25_A     H    25_A     17   97  110     11   56   66   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    26_A     R    26_A     17   97  110     11   41   66   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    27_A     L    27_A     17   97  110     25   56   66   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    28_A     A    28_A     17   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     G    29_A     G    29_A     17   97  110      4   23   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    30_A     D    30_A      8   97  110      4    6   29   52   77   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     P    31_A     P    31_A      8   97  110      3    8   39   54   72   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     P    32_A     P    32_A      8   97  110      3    6   16   60   77   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    33_A     D    33_A     14   97  110     10   13   34   50   67   80   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    34_A     E    34_A     14   97  110      8   13   14   71   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    35_A     L    35_A     14   97  110     10   13   14   15   16   19   22   64   87  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F    36_A     F    36_A     14   97  110     10   13   14   15   61   70   78   93   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     Q    37_A     Q    37_A     14   97  110     10   13   33   73   77   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    38_A     R    38_A     14   97  110     10   37   61   71   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    39_A     L    39_A     14   97  110     10   13   20   48   69   82   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    40_A     D    40_A     14   97  110     10   13   14   31   49   80   88   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    41_A     R    41_A     14   97  110     10   13   14   16   36   81   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F    42_A     F    42_A     14   97  110     15   49   63   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V    43_A     V    43_A     14   97  110     10   13   14   50   72   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     T    44_A     T    44_A     14   97  110      6   13   14   15   16   31   73   94   98   99  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    45_A     D    45_A     14   97  110      5   13   14   15   23   50   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    46_A     A    46_A     30   97  110      4   23   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     I    47_A     I    47_A     32   97  110      4   26   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     I    48_A     I    48_A     32   97  110      4   25   65   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    49_A     E    49_A     32   97  110      4   15   44   74   78   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     G    50_A     G    50_A     32   97  110      4    8   33   69   77   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     N    51_A     N    51_A     55   97  110      6   32   64   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     P    52_A     P    52_A     55   97  110     13   41   66   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    53_A     E    53_A     55   97  110      4   43   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    54_A     R    54_A     55   97  110      8   52   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    55_A     R    55_A     55   97  110      8   43   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    56_A     D    56_A     55   97  110     17   53   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    57_A     E    57_A     55   97  110     26   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     I    58_A     I    58_A     55   97  110      9   54   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     K    59_A     K    59_A     55   97  110      8   44   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    60_A     A    60_A     55   97  110     19   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    61_A     D    61_A     55   97  110     25   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    62_A     L    62_A     55   97  110     17   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    63_A     A    63_A     55   97  110     25   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    64_A     R    64_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    65_A     A    65_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    66_A     A    66_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    67_A     R    67_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V    68_A     V    68_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F    69_A     F    69_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     G    70_A     G    70_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    71_A     E    71_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    72_A     A    72_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    73_A     L    73_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    74_A     E    74_A     55   97  110     22   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    75_A     R    75_A     55   97  110     24   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    76_A     D    76_A     55   97  110      4    8   30   56   77   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     I    77_A     I    77_A     55   97  110      7   37   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     T    78_A     T    78_A     55   97  110      4   20   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     T    79_A     T    79_A     55   97  110     20   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     P    80_A     P    80_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    81_A     E    81_A     55   97  110     20   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D    82_A     D    82_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F    83_A     F    83_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     N    84_A     N    84_A     55   97  110     24   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    85_A     A    85_A     55   97  110     24   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F    86_A     F    86_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    87_A     L    87_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R    88_A     R    88_A     55   97  110     26   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    89_A     E    89_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    90_A     L    90_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     G    91_A     G    91_A     55   97  110     24   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     P    92_A     P    92_A     55   97  110     24   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    93_A     E    93_A     55   97  110     24   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     A    94_A     A    94_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V    95_A     V    95_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     E    96_A     E    96_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     L    97_A     L    97_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V    98_A     V    98_A     55   97  110     25   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     S    99_A     S    99_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     T   100_A     T   100_A     55   97  110     28   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F   101_A     F   101_A     55   97  110     25   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     T   102_A     T   102_A     55   97  110     11   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     Q   103_A     Q   103_A     55   97  110     17   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     Q   104_A     Q   104_A     55   97  110     18   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     F   105_A     F   105_A     55   97  110     18   56   67   74   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V   106_A     V   106_A     55   97  110      7   34   63   73   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     D   107_A     D   107_A     55   97  110      7   43   63   71   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V   108_A     V   108_A     54   97  110      7   43   63   71   79   83   90   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     I   109_A     I   109_A     50   97  110      7   14   49   66   76   83   88   95   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     R   110_A     R   110_A     32   75  110      7   14   21   50   69   79   87   93   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     G   111_A     G   111_A     20   75  110      7   12   16   27   65   77   86   93   98  100  102  103  106  106  108  109  109  111  112  113 
LCS_GDT     D   112_A     D   112_A     19   71  110      7   14   17   42   50   55   74   79   88   94  100  103  106  106  108  109  110  111  112  114 
LCS_GDT     P   113_A     P   113_A     20   68  110      9   16   26   45   57   71   78   85   90   96   99  103  106  106  108  109  110  111  112  114 
LCS_GDT     Q   114_A     Q   114_A     20   30  110      9   17   19   22   24   29   30   34   58   67   70   81   94   99  104  109  110  111  112  114 
LCS_GDT     A   115_A     A   115_A     20   30  110      9   17   19   22   24   29   30   31   33   34   52   66   72   85   87   95   99  104  112  113 
LCS_GDT     V   116_A     V   116_A     21   30  110      9   17   19   22   26   29   30   34   53   67   70   83   91   99  104  109  110  111  112  114 
LCS_GDT     A   117_A     A   117_A     21   30  110      9   17   20   24   26   29   30   31   33   34   38   40   62   74   83   90   98  103  111  114 
LCS_GDT     E   118_A     E   118_A     21   30  110      9   17   19   24   26   29   30   31   33   34   38   40   41   45   53   56   59   61   88   93 
LCS_GDT     H   119_A     H   119_A     21   30  110      9   17   20   24   26   29   30   31   33   34   38   40   41   45   53   56   59   61   66   93 
LCS_GDT     L   120_A     L   120_A     21   30  110      9   17   20   24   26   29   30   31   33   34   38   40   41   45   53   56   59   61   74   89 
LCS_GDT     N   121_A     N   121_A     21   30   43      9   17   20   24   26   29   30   31   33   34   38   40   41   45   48   51   54   58   62   66 
LCS_GDT     I   122_A     I   122_A     21   30   43      9   17   20   24   26   29   30   31   33   34   38   40   41   45   48   51   54   61   66   76 
LCS_GDT     S   123_A     S   123_A     21   30   43      9   17   20   24   26   29   30   31   33   34   38   40   41   45   48   51   54   61   74   87 
LCS_GDT     L   124_A     L   124_A     21   30   43      9   17   20   24   26   29   30   31   33   34   38   40   60   74   88   92  105  108  112  114 
LCS_GDT     E   125_A     E   125_A     21   30   43      9   17   20   24   26   29   30   31   33   34   38   40   41   45   48   51   59   74   87  100 
LCS_GDT     D   126_A     D   126_A     21   30   43      9   17   20   24   26   29   30   31   33   34   38   40   41   45   48   52   59   73   84   97 
LCS_GDT     V   127_A     V   127_A     21   30   43      9   17   20   24   26   29   30   31   33   46   63   77   86   93  102  106  107  110  112  114 
LCS_GDT     A   128_A     A   128_A     21   30   43      9   17   20   24   26   29   30   31   33   34   51   69   87   92  102  106  107  109  112  114 
LCS_GDT     R   129_A     R   129_A     21   30   43      6   17   20   24   26   29   30   31   33   34   38   40   41   45   49   60   91   96  103  111 
LCS_GDT     L   130_A     L   130_A     21   30   43      9   17   19   22   26   29   30   31   33   34   46   63   79   91   96  106  107  109  112  114 
LCS_GDT     A   131_A     A   131_A     21   30   43      8   16   20   24   26   29   30   45   52   80   98   99  102  105  106  107  109  110  112  114 
LCS_GDT     E   132_A     E   132_A     21   30   43      8   16   20   24   26   29   30   31   33   40   48   54   77   82   98  102  104  107  110  113 
LCS_GDT     A   133_A     A   133_A     21   30   43      8   16   20   24   26   29   30   31   33   34   38   41   46   50   77   85   91  105  110  113 
LCS_GDT     G   134_A     G   134_A     21   30   43      8   16   20   24   26   29   30   42   48   55   68   80   89  101  103  106  107  109  110  113 
LCS_GDT     E   135_A     E   135_A     21   30   43      8   15   20   24   26   29   30   31   33   53   59   72   77   84  100  102  106  107  110  113 
LCS_GDT     A   136_A     A   136_A     21   30   43      7   15   20   24   26   29   30   31   33   38   41   47   53   59   59   61   67   71   78  111 
LCS_GDT     A   137_A     A   137_A     21   30   43      8   14   20   24   26   29   30   31   33   38   41   47   53   59   59   61   67  102  110  111 
LCS_GDT     I   138_A     I   138_A     20   30   43      8   13   20   24   26   29   30   31   33   38   41   47   53   59   59   61   97  102  110  111 
LCS_GDT     E   139_A     E   139_A     18   30   43      8   13   19   24   26   29   30   31   33   34   38   40   41   59   59   61   67   71   78   84 
LCS_GDT     R   140_A     R   140_A     17   30   43      8   13   19   24   26   29   30   31   33   34   38   40   41   45   48   51   54   71   78   84 
LCS_GDT     G   141_A     G   141_A     17   30   43      3   10   19   24   26   29   30   31   33   34   38   40   41   43   47   51   54   62   68   84 
LCS_GDT     E   142_A     E   142_A      4   30   43      3    4    7   17   21   27   30   31   33   38   41   47   53   59   59   62   97  105  110  113 
LCS_GDT     G   143_A     G   143_A     13   28   43      5    9   12   14   18   19   23   29   32   34   35   37   39   43   47   50   59   62   78  105 
LCS_GDT     A   144_A     A   144_A     16   20   43      5    9   13   16   18   19   23   23   25   44   46   55   61  102  104  105  106  107  109  113 
LCS_GDT     S   145_A     S   145_A     17   20   43      5   11   16   17   18   19   23   23   73   90  101  103  106  106  108  109  110  111  112  114 
LCS_GDT     L   146_A     L   146_A     17   20   43      5   12   16   17   18   19   23   23   68   86   96  101  104  106  108  109  110  111  112  114 
LCS_GDT     G   147_A     G   147_A     17   20   41      5   13   16   17   18   55   75   91   98  100  102  103  106  106  108  109  110  111  112  114 
LCS_GDT     V   148_A     V   148_A     17   20   39      5   13   16   17   18   19   23   23   77   79   94  103  106  106  108  109  110  111  112  114 
LCS_GDT     H   149_A     H   149_A     17   20   38      5   13   16   17   18   19   23   23   53   73   87   96  100  104  108  109  110  111  112  114 
LCS_GDT     R   150_A     R   150_A     17   20   26      5   13   16   17   18   19   23   23   47   66   85   94   99  103  106  109  110  111  112  114 
LCS_GDT     E   151_A     E   151_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   74   83   96  101  106  108  110  112  113 
LCS_GDT     L   152_A     L   152_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38  104  109 
LCS_GDT     R   153_A     R   153_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   45 
LCS_GDT     R   154_A     R   154_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_GDT     I   155_A     I   155_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_GDT     E   156_A     E   156_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_GDT     A   157_A     A   157_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_GDT     R   158_A     R   158_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_GDT     R   159_A     R   159_A     17   20   26      9   13   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_GDT     N   160_A     N   160_A     17   20   26      3    4   16   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_GDT     S   161_A     S   161_A     17   20   26      3    4    5   17   18   19   23   23   25   26   26   28   29   29   30   32   34   38   41   42 
LCS_AVERAGE  LCS_A:  43.41  (  21.49   48.90   59.86 )

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     28     56     67     74     79     83     90     95     98    100    102    103    106    106    108    109    110    111    112    114 
GDT PERCENT_AT  18.54  37.09  44.37  49.01  52.32  54.97  59.60  62.91  64.90  66.23  67.55  68.21  70.20  70.20  71.52  72.19  72.85  73.51  74.17  75.50
GDT RMS_LOCAL    0.31   0.61   0.91   1.01   1.16   1.32   1.63   1.82   1.97   2.07   2.19   2.36   2.57   2.57   2.79   2.95   3.34   3.37   3.62   3.95
GDT RMS_ALL_AT  11.59  11.67  11.67  11.67  11.69  11.69  11.66  11.68  11.75  11.76  11.76  11.67  11.69  11.69  11.63  11.58  11.42  11.45  11.38  11.30

# Checking swapping
#   possible swapping detected:  E    14_A      E    14_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    86_A      F    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  D   126_A      D   126_A
#   possible swapping detected:  E   132_A      E   132_A
#   possible swapping detected:  E   139_A      E   139_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  E   156_A      E   156_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    11_A      Q    11_A     4.003     0    0.492   1.651    11.090   41.905   23.545
LGA    A    12_A      A    12_A     3.456     0    0.361   0.356     5.219   50.476   45.619
LGA    V    13_A      V    13_A     3.083     0    0.339   1.248     6.444   61.190   52.857
LGA    E    14_A      E    14_A     1.100     0    0.202   0.578     3.799   79.286   71.058
LGA    D    15_A      D    15_A     0.890     0    0.019   0.380     1.592   88.214   86.012
LGA    F    16_A      F    16_A     0.785     0    0.016   0.101     0.985   90.476   90.476
LGA    L    17_A      L    17_A     0.891     0    0.060   0.098     1.040   88.214   89.345
LGA    R    18_A      R    18_A     0.772     0    0.033   0.170     1.003   90.476   89.654
LGA    V    19_A      V    19_A     0.769     0    0.034   0.086     1.075   90.476   87.891
LGA    H    20_A      H    20_A     0.812     0    0.035   0.323     1.144   90.476   87.762
LGA    S    21_A      S    21_A     0.856     0    0.018   0.589     1.809   90.476   86.032
LGA    E    22_A      E    22_A     0.736     0    0.022   0.161     1.097   90.476   89.471
LGA    L    23_A      L    23_A     0.845     0    0.038   0.078     1.342   90.476   87.083
LGA    V    24_A      V    24_A     0.764     0    0.022   0.073     0.949   90.476   90.476
LGA    H    25_A      H    25_A     1.072     0    0.056   1.172     4.255   83.690   72.238
LGA    R    26_A      R    26_A     1.582     0    0.077   0.742     2.159   77.143   73.680
LGA    L    27_A      L    27_A     1.094     0    0.018   0.144     2.004   83.690   80.476
LGA    A    28_A      A    28_A     0.831     0    0.050   0.047     1.852   90.476   86.952
LGA    G    29_A      G    29_A     1.937     0    0.090   0.090     3.202   65.357   65.357
LGA    D    30_A      D    30_A     3.289     0    0.045   0.115     3.423   51.786   50.893
LGA    P    31_A      P    31_A     3.543     0    0.144   0.370     4.091   45.000   44.354
LGA    P    32_A      P    32_A     3.351     0    0.624   0.594     6.325   38.571   44.558
LGA    D    33_A      D    33_A     3.980     0    0.624   1.351     9.709   55.595   32.321
LGA    E    34_A      E    34_A     2.582     0    0.036   1.151     9.034   57.262   33.915
LGA    L    35_A      L    35_A     5.548     0    0.057   0.327    11.134   30.357   16.250
LGA    F    36_A      F    36_A     5.113     0    0.063   1.404    10.944   36.071   16.710
LGA    Q    37_A      Q    37_A     2.788     0    0.060   0.379     6.434   61.071   42.857
LGA    R    38_A      R    38_A     2.783     0    0.017   0.640     9.514   64.881   32.035
LGA    L    39_A      L    39_A     3.682     0    0.022   1.415     7.920   50.119   35.179
LGA    D    40_A      D    40_A     4.418     0    0.072   0.219     9.168   41.905   25.060
LGA    R    41_A      R    41_A     3.863     0    0.007   0.652     8.448   50.119   25.022
LGA    F    42_A      F    42_A     1.868     0    0.052   0.376     7.149   72.857   42.857
LGA    V    43_A      V    43_A     3.790     0    0.049   0.108     6.457   45.238   35.102
LGA    T    44_A      T    44_A     5.330     0    0.141   1.011     9.146   30.238   24.422
LGA    D    45_A      D    45_A     4.149     0    0.022   0.128     5.920   43.452   35.595
LGA    A    46_A      A    46_A     1.501     0    0.045   0.050     2.202   72.976   76.476
LGA    I    47_A      I    47_A     1.897     0    0.143   0.148     2.387   68.810   69.821
LGA    I    48_A      I    48_A     2.042     0    0.039   0.051     2.461   66.786   70.893
LGA    E    49_A      E    49_A     2.808     0    0.139   0.736     3.961   55.476   53.280
LGA    G    50_A      G    50_A     3.324     0    0.028   0.028     3.324   51.786   51.786
LGA    N    51_A      N    51_A     2.160     0    0.150   0.689     5.509   68.810   56.012
LGA    P    52_A      P    52_A     1.804     0    0.041   0.116     2.207   72.857   71.701
LGA    E    53_A      E    53_A     1.627     0    0.028   1.145     6.302   77.143   57.619
LGA    R    54_A      R    54_A     1.325     0    0.183   0.923     5.158   81.429   63.420
LGA    R    55_A      R    55_A     1.382     0    0.061   1.342     6.254   79.286   66.970
LGA    D    56_A      D    56_A     0.879     0    0.064   0.400     2.832   92.857   79.940
LGA    E    57_A      E    57_A     0.369     0    0.072   0.795     2.370   95.238   86.772
LGA    I    58_A      I    58_A     0.932     0    0.007   0.736     3.715   90.476   80.119
LGA    K    59_A      K    59_A     1.308     0    0.088   0.602     4.527   83.690   66.455
LGA    A    60_A      A    60_A     0.988     0    0.094   0.114     1.281   95.238   92.476
LGA    D    61_A      D    61_A     0.248     0    0.091   0.262     0.543  100.000   98.810
LGA    L    62_A      L    62_A     0.511     0    0.058   1.016     2.824   97.619   88.750
LGA    A    63_A      A    63_A     0.295     0    0.076   0.076     0.408  100.000  100.000
LGA    R    64_A      R    64_A     0.356     0    0.096   1.013     2.209  100.000   82.987
LGA    A    65_A      A    65_A     0.465     0    0.081   0.099     0.507   97.619   98.095
LGA    A    66_A      A    66_A     0.375     0    0.100   0.109     0.758   97.619   98.095
LGA    R    67_A      R    67_A     0.346     0    0.087   1.100     4.383  100.000   84.156
LGA    V    68_A      V    68_A     0.481     0    0.027   0.050     0.631   95.238   93.197
LGA    F    69_A      F    69_A     0.522     0    0.035   0.495     1.838   92.857   87.316
LGA    G    70_A      G    70_A     0.435     0    0.014   0.014     0.448  100.000  100.000
LGA    E    71_A      E    71_A     0.393     0    0.021   0.133     0.545  100.000   98.942
LGA    A    72_A      A    72_A     0.358     0    0.012   0.013     0.530  100.000   98.095
LGA    L    73_A      L    73_A     0.438     0    0.099   0.158     0.744  100.000   95.238
LGA    E    74_A      E    74_A     0.875     0    0.103   0.272     1.387   88.214   86.455
LGA    R    75_A      R    75_A     0.757     0    0.685   1.250     4.627   86.071   80.433
LGA    D    76_A      D    76_A     3.218     0    0.273   0.907     7.405   51.905   35.655
LGA    I    77_A      I    77_A     1.426     0    0.033   0.126     1.982   75.000   82.738
LGA    T    78_A      T    78_A     1.886     0    0.102   0.117     3.498   79.405   68.844
LGA    T    79_A      T    79_A     0.874     0    0.053   0.116     1.965   92.857   85.510
LGA    P    80_A      P    80_A     0.864     0    0.039   0.115     1.239   90.476   86.599
LGA    E    81_A      E    81_A     1.208     0    0.049   1.265     5.695   83.690   66.349
LGA    D    82_A      D    82_A     0.748     0    0.006   0.147     0.916   90.476   90.476
LGA    F    83_A      F    83_A     0.603     0    0.026   0.136     0.780   90.476   90.476
LGA    N    84_A      N    84_A     1.039     0    0.034   0.346     1.446   83.690   83.690
LGA    A    85_A      A    85_A     0.968     0    0.078   0.089     0.976   90.476   90.476
LGA    F    86_A      F    86_A     0.589     0    0.067   0.108     0.821   90.476   93.074
LGA    L    87_A      L    87_A     0.670     0    0.054   0.119     0.989   90.476   91.667
LGA    R    88_A      R    88_A     0.897     0    0.089   0.627     2.420   88.214   83.290
LGA    E    89_A      E    89_A     0.570     0    0.099   0.107     1.033   88.214   93.704
LGA    L    90_A      L    90_A     0.639     0    0.051   1.304     3.060   90.476   80.000
LGA    G    91_A      G    91_A     1.120     0    0.065   0.065     1.189   83.690   83.690
LGA    P    92_A      P    92_A     1.311     0    0.071   0.405     1.370   81.429   84.014
LGA    E    93_A      E    93_A     1.311     0    0.069   0.167     2.550   83.690   73.228
LGA    A    94_A      A    94_A     0.934     0    0.015   0.029     1.116   90.476   88.667
LGA    V    95_A      V    95_A     0.599     0    0.024   0.098     0.794   95.238   93.197
LGA    E    96_A      E    96_A     0.448     0    0.068   1.149     4.483   97.619   74.286
LGA    L    97_A      L    97_A     0.391     0    0.035   0.133     0.613  100.000   98.810
LGA    V    98_A      V    98_A     0.627     0    0.017   0.105     0.986   90.476   90.476
LGA    S    99_A      S    99_A     0.583     0    0.100   0.678     2.481   90.476   87.778
LGA    T   100_A      T   100_A     0.447     0    0.018   0.052     0.593   97.619   98.639
LGA    F   101_A      F   101_A     0.559     0    0.062   1.328     6.793   92.857   62.771
LGA    T   102_A      T   102_A     0.953     0    0.044   0.914     2.668   88.214   80.748
LGA    Q   103_A      Q   103_A     1.061     0    0.056   0.118     1.601   83.690   80.529
LGA    Q   104_A      Q   104_A     0.864     0    0.097   0.167     1.181   88.214   90.529
LGA    F   105_A      F   105_A     0.909     0    0.041   0.971     5.876   81.667   58.874
LGA    V   106_A      V   106_A     2.415     0    0.023   0.135     3.181   61.190   58.435
LGA    D   107_A      D   107_A     2.807     0    0.023   0.099     3.519   55.595   55.476
LGA    V   108_A      V   108_A     2.785     0    0.060   0.146     3.697   51.905   57.415
LGA    I   109_A      I   109_A     3.718     0    0.031   0.111     5.080   39.167   40.595
LGA    R   110_A      R   110_A     5.011     0    0.145   0.937     7.326   27.738   25.065
LGA    G   111_A      G   111_A     5.434     0    0.222   0.222     6.348   22.738   22.738
LGA    D   112_A      D   112_A     7.733     0    0.153   1.103    13.961   10.357    5.179
LGA    P   113_A      P   113_A     7.770     0    0.067   0.305    12.095    5.119   13.061
LGA    Q   114_A      Q   114_A    14.437     0    0.087   0.115    17.506    0.000    0.000
LGA    A   115_A      A   115_A    16.006     0    0.019   0.035    17.180    0.000    0.000
LGA    V   116_A      V   116_A    13.019     0    0.054   0.057    16.616    0.000    0.408
LGA    A   117_A      A   117_A    18.042     0    0.011   0.010    22.165    0.000    0.000
LGA    E   118_A      E   118_A    22.796     0    0.070   0.489    26.441    0.000    0.000
LGA    H   119_A      H   119_A    21.652     0    0.065   0.555    23.488    0.000    0.000
LGA    L   120_A      L   120_A    21.349     0    0.030   1.050    24.591    0.000    0.000
LGA    N   121_A      N   121_A    26.393     0    0.146   0.940    31.724    0.000    0.000
LGA    I   122_A      I   122_A    23.860     0    0.056   0.076    24.040    0.000    0.000
LGA    S   123_A      S   123_A    23.016     0    0.080   0.102    24.572    0.000    0.000
LGA    L   124_A      L   124_A    17.138     0    0.029   0.066    19.574    0.000    0.000
LGA    E   125_A      E   125_A    19.338     0    0.017   0.720    27.623    0.000    0.000
LGA    D   126_A      D   126_A    19.738     0    0.084   1.055    25.818    0.000    0.000
LGA    V   127_A      V   127_A    13.376     0    0.038   0.187    15.821    0.000    0.000
LGA    A   128_A      A   128_A    12.630     0    0.022   0.032    13.796    0.000    0.000
LGA    R   129_A      R   129_A    16.805     0    0.019   0.663    27.787    0.000    0.000
LGA    L   130_A      L   130_A    12.617     0    0.040   0.183    14.739    0.000    0.000
LGA    A   131_A      A   131_A     9.034     0    0.023   0.029    10.958    0.357    1.714
LGA    E   132_A      E   132_A    14.350     0    0.050   0.233    18.341    0.000    0.000
LGA    A   133_A      A   133_A    15.749     0    0.030   0.032    15.952    0.000    0.000
LGA    G   134_A      G   134_A    11.447     0    0.036   0.036    13.267    0.000    0.000
LGA    E   135_A      E   135_A    14.156     0    0.023   1.046    17.422    0.000    0.000
LGA    A   136_A      A   136_A    19.228     0    0.096   0.093    21.017    0.000    0.000
LGA    A   137_A      A   137_A    17.090     0    0.060   0.069    18.376    0.000    0.000
LGA    I   138_A      I   138_A    16.854     0    0.016   0.034    20.174    0.000    0.000
LGA    E   139_A      E   139_A    22.120     0    0.080   0.810    26.794    0.000    0.000
LGA    R   140_A      R   140_A    23.499     0    0.034   1.257    24.885    0.000    0.000
LGA    G   141_A      G   141_A    22.338     0    0.052   0.052    22.338    0.000    0.000
LGA    E   142_A      E   142_A    15.838     0    0.293   1.061    17.988    0.000    0.000
LGA    G   143_A      G   143_A    14.917     0    0.652   0.652    15.302    0.000    0.000
LGA    A   144_A      A   144_A    10.813     0    0.104   0.117    12.546    3.690    2.952
LGA    S   145_A      S   145_A     6.479     0    0.046   0.130     8.263   17.381   14.048
LGA    L   146_A      L   146_A     7.610     0    0.167   0.997    13.522   11.071    5.595
LGA    G   147_A      G   147_A     4.788     0    0.054   0.054     6.536   24.286   24.286
LGA    V   148_A      V   148_A     7.547     0    0.039   0.162    10.538    8.333    6.259
LGA    H   149_A      H   149_A     9.683     0    0.097   0.990    15.658    1.905    0.905
LGA    R   150_A      R   150_A    11.163     0    0.029   0.473    14.252    0.119    0.130
LGA    E   151_A      E   151_A    13.366     0    0.066   1.052    17.771    0.000    0.000
LGA    L   152_A      L   152_A    17.426     0    0.097   0.208    21.628    0.000    0.000
LGA    R   153_A      R   153_A    20.436     0    0.058   0.783    25.347    0.000    0.000
LGA    R   154_A      R   154_A    21.493     0    0.042   1.386    25.830    0.000    0.000
LGA    I   155_A      I   155_A    25.483     0    0.032   0.065    29.884    0.000    0.000
LGA    E   156_A      E   156_A    29.038     0    0.017   0.443    33.009    0.000    0.000
LGA    A   157_A      A   157_A    30.756     0    0.010   0.014    34.499    0.000    0.000
LGA    R   158_A      R   158_A    32.989     0    0.019   1.335    37.514    0.000    0.000
LGA    R   159_A      R   159_A    37.407     0    0.030   1.009    41.623    0.000    0.000
LGA    N   160_A      N   160_A    40.060     0    0.195   0.372    43.765    0.000    0.000
LGA    S   161_A      S   161_A    41.594     0    0.678   0.826    43.154    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      151     604    604  100.00    1194   1194  100.00               151
SUMMARY(RMSD_GDC):    10.943         11.114                 11.218           52.177   47.884

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  164  151    4.0     95    1.82    55.298    55.288     4.947

LGA_LOCAL      RMSD:   1.821  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.678  Number of assigned atoms:  151 
Std_ASGN_ATOMS RMSD:  10.943  Standard rmsd on all 151 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.116137 * X  +   0.271265 * Y  +  -0.955472 * Z  +   7.574307
  Y_new =  -0.830976 * X  +  -0.553469 * Y  +  -0.056129 * Z  + -11.620244
  Z_new =  -0.544050 * X  +   0.787456 * Y  +   0.289693 * Z  + -12.837238 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.709656  0.575257  1.218279   [DEG:  -97.9561   32.9598   69.8022 ]
ZXZ: -1.512119  1.276891 -0.604590   [DEG:  -86.6380   73.1604  -34.6404 ]
 
# END of job
