
#######################################################
#                                                     #
#                        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:    47     115_A - 161_A       4.99    13.45
  LCS_AVERAGE:     27.91

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30     122_A - 151_A       1.97    16.89
  LCS_AVERAGE:     15.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      54_A - 74_A        0.83    21.24
  LCS_AVERAGE:     10.36

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   14   20      3    3    5    6   14   16   27   29   34   35   39   44   48   51   54   56   59   66   69   75 
LCS_GDT     A    12_A     A    12_A     12   14   20      3    4    7   12   14   16   17   20   36   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     V    13_A     V    13_A     12   14   20      3    9   11   12   14   16   29   31   36   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E    14_A     E    14_A     12   14   22      7    9   12   18   26   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     D    15_A     D    15_A     12   14   22      6    9   13   26   29   31   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     F    16_A     F    16_A     12   14   23      6    9   13   26   29   31   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     L    17_A     L    17_A     12   14   23      7    9   11   12   13   14   34   40   41   42   43   48   50   53   55   59   63   67   73   78 
LCS_GDT     R    18_A     R    18_A     12   14   23      7    9   11   12   13   14   16   19   20   24   27   31   46   48   54   59   63   67   73   78 
LCS_GDT     V    19_A     V    19_A     12   14   23      7    9   11   12   13   14   14   20   22   25   31   44   47   50   55   59   63   67   73   79 
LCS_GDT     H    20_A     H    20_A     12   14   23      7    9   11   12   14   16   17   26   26   28   43   44   49   53   55   59   63   67   73   79 
LCS_GDT     S    21_A     S    21_A     12   14   23      7    9   11   12   13   14   16   19   22   25   28   32   34   37   40   42   45   55   62   69 
LCS_GDT     E    22_A     E    22_A     12   14   23      7    9   11   12   13   14   25   26   26   28   29   32   39   47   52   57   62   67   70   73 
LCS_GDT     L    23_A     L    23_A     12   14   29      3    9   11   18   22   23   26   27   29   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     V    24_A     V    24_A      6   14   29      3    5    9   11   12   17   20   23   26   30   34   38   44   51   56   59   63   66   71   74 
LCS_GDT     H    25_A     H    25_A      6    8   29      3    5    7    8    9   13   19   24   26   32   37   43   49   53   56   59   64   67   71   74 
LCS_GDT     R    26_A     R    26_A      6    8   29      3    5    7    8   13   21   24   27   31   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     L    27_A     L    27_A      6    8   29      3    5    7    8    9   14   25   29   32   34   38   43   49   53   56   59   64   67   71   74 
LCS_GDT     A    28_A     A    28_A      6    8   29      3    5    8   20   20   22   23   28   30   34   38   41   44   46   51   55   59   63   68   71 
LCS_GDT     G    29_A     G    29_A      5   22   29      3    4    9   19   20   22   23   28   30   34   38   40   44   46   51   55   59   63   67   71 
LCS_GDT     D    30_A     D    30_A      5   22   29      3    4    5    7    8   14   21   23   27   34   38   40   43   47   52   55   60   65   69   72 
LCS_GDT     P    31_A     P    31_A      5   22   29      3    4    5    7    7    9   10   14   20   25   26   36   41   44   51   55   60   63   68   72 
LCS_GDT     P    32_A     P    32_A     19   22   43      3    4   16   17   21   22   23   24   26   26   30   41   45   50   55   58   64   67   71   74 
LCS_GDT     D    33_A     D    33_A     19   22   43      3   11   17   20   21   22   23   24   26   27   36   44   46   51   55   59   64   67   71   74 
LCS_GDT     E    34_A     E    34_A     19   22   43      5   17   18   20   21   22   23   24   26   26   30   38   43   50   52   57   64   67   70   73 
LCS_GDT     L    35_A     L    35_A     19   22   43     13   17   18   20   21   22   23   24   26   26   30   31   33   35   44   53   56   61   68   71 
LCS_GDT     F    36_A     F    36_A     19   22   43     10   17   18   20   21   22   23   24   26   26   30   31   40   50   55   58   64   67   71   74 
LCS_GDT     Q    37_A     Q    37_A     19   22   43     13   17   18   20   21   22   23   25   32   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     R    38_A     R    38_A     19   22   43     13   17   18   20   21   22   23   24   26   27   36   41   46   51   55   59   64   67   71   77 
LCS_GDT     L    39_A     L    39_A     19   22   43     13   17   18   20   21   22   23   24   26   31   35   43   48   53   55   59   64   67   73   78 
LCS_GDT     D    40_A     D    40_A     19   22   43     13   17   18   20   21   22   23   24   31   37   39   44   49   53   56   59   64   67   72   78 
LCS_GDT     R    41_A     R    41_A     19   22   43     13   17   18   20   21   22   23   28   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     F    42_A     F    42_A     19   22   43     13   17   18   20   21   22   23   25   36   40   43   46   50   53   56   59   64   67   73   79 
LCS_GDT     V    43_A     V    43_A     19   22   43     13   17   18   20   21   22   23   24   27   36   40   44   49   53   56   59   64   67   73   79 
LCS_GDT     T    44_A     T    44_A     19   22   43     13   17   18   20   21   22   23   24   29   37   39   43   48   53   56   59   64   67   73   79 
LCS_GDT     D    45_A     D    45_A     19   22   43     12   17   18   20   21   22   23   28   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     A    46_A     A    46_A     19   22   43     13   17   18   20   21   22   23   28   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     I    47_A     I    47_A     19   22   43     13   17   18   20   21   22   23   24   26   29   33   38   41   50   55   58   64   67   73   79 
LCS_GDT     I    48_A     I    48_A     19   22   43     13   17   18   20   21   22   23   24   26   29   33   35   41   46   55   58   64   67   73   79 
LCS_GDT     E    49_A     E    49_A     19   22   43     13   17   18   20   21   22   23   24   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     G    50_A     G    50_A     19   22   43      6   17   18   20   21   22   23   24   27   32   36   40   45   50   55   58   64   67   73   79 
LCS_GDT     N    51_A     N    51_A      6   24   43      5    6    6   14   20   23   24   28   32   37   39   44   46   52   56   59   64   67   71   79 
LCS_GDT     P    52_A     P    52_A      6   24   45      5    6   11   17   22   24   26   28   32   37   39   44   49   53   56   59   64   67   71   79 
LCS_GDT     E    53_A     E    53_A      6   24   45      5    6    6    6   12   17   26   27   30   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     R    54_A     R    54_A     21   24   45      7   14   21   22   23   24   26   27   31   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     R    55_A     R    55_A     21   24   45      7   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   78 
LCS_GDT     D    56_A     D    56_A     21   24   45      7   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     E    57_A     E    57_A     21   24   45      7   17   21   22   23   24   26   28   31   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     I    58_A     I    58_A     21   24   45      7   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   79 
LCS_GDT     K    59_A     K    59_A     21   24   45      7   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   78 
LCS_GDT     A    60_A     A    60_A     21   24   45      7   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     D    61_A     D    61_A     21   24   45      7   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     L    62_A     L    62_A     21   24   45      9   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     A    63_A     A    63_A     21   24   45      9   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     R    64_A     R    64_A     21   24   45      8   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     A    65_A     A    65_A     21   24   45      9   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     A    66_A     A    66_A     21   24   45      9   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     R    67_A     R    67_A     21   24   45      9   17   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     V    68_A     V    68_A     21   24   45      9   17   21   22   23   24   27   28   32   37   39   44   49   53   56   59   64   67   71   79 
LCS_GDT     F    69_A     F    69_A     21   24   45      9   17   21   22   23   24   27   29   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     G    70_A     G    70_A     21   24   45      9   17   21   22   23   24   27   29   32   37   39   44   49   53   56   59   64   67   71   78 
LCS_GDT     E    71_A     E    71_A     21   24   45      9   17   21   22   23   24   27   30   33   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     A    72_A     A    72_A     21   24   45      9   16   21   22   23   24   26   28   33   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     L    73_A     L    73_A     21   24   45      9   14   21   22   23   24   26   28   32   37   39   44   49   53   56   59   64   67   73   79 
LCS_GDT     E    74_A     E    74_A     21   24   45      4   13   21   22   23   24   26   28   33   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     R    75_A     R    75_A      3   23   45      5   12   20   21   25   26   29   30   33   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     D    76_A     D    76_A      3   17   45      3   10   20   21   25   26   29   30   32   37   39   41   48   53   56   59   64   67   71   74 
LCS_GDT     I    77_A     I    77_A      4   17   45      3    4    5    7    8   20   27   30   32   35   38   41   48   53   56   59   64   67   71   76 
LCS_GDT     T    78_A     T    78_A     14   17   45      3    9   14   15   16   18   20   23   26   30   34   36   41   46   56   58   64   67   70   74 
LCS_GDT     T    79_A     T    79_A     14   17   45      7   13   14   15   16   18   20   23   26   29   33   35   41   43   46   52   58   61   66   73 
LCS_GDT     P    80_A     P    80_A     14   17   45      6   13   14   15   16   18   20   23   26   29   33   35   41   43   46   52   58   61   65   69 
LCS_GDT     E    81_A     E    81_A     14   17   45      7   13   14   15   16   18   20   23   26   29   33   35   41   43   48   56   60   66   70   73 
LCS_GDT     D    82_A     D    82_A     14   17   45      7   13   14   15   29   31   33   37   41   42   43   47   50   53   56   59   64   67   73   79 
LCS_GDT     F    83_A     F    83_A     14   17   45      5   13   14   24   29   31   33   37   41   42   44   48   50   53   56   59   64   67   73   79 
LCS_GDT     N    84_A     N    84_A     14   17   45      7   13   14   15   16   18   20   23   26   29   33   41   49   53   56   59   63   67   71   77 
LCS_GDT     A    85_A     A    85_A     14   17   45      7   13   14   15   16   22   27   31   36   42   44   48   50   53   56   59   63   67   72   79 
LCS_GDT     F    86_A     F    86_A     14   17   45      7   13   14   18   24   26   29   31   36   42   44   48   50   53   56   59   63   67   73   79 
LCS_GDT     L    87_A     L    87_A     14   17   45      7   13   14   15   17   23   28   31   34   40   43   46   49   52   56   59   63   67   71   79 
LCS_GDT     R    88_A     R    88_A     14   26   45      7   13   14   15   24   26   29   30   33   37   39   41   44   50   56   58   62   67   71   74 
LCS_GDT     E    89_A     E    89_A     14   26   45      7   13   14   15   22   26   29   30   33   37   39   42   48   51   56   58   63   67   71   74 
LCS_GDT     L    90_A     L    90_A     14   26   45      7   13   14   15   17   24   27   30   33   37   39   41   44   49   56   58   62   65   69   74 
LCS_GDT     G    91_A     G    91_A     14   26   45      7   13   14   15   17   24   27   30   32   37   39   41   44   46   50   57   62   64   66   69 
LCS_GDT     P    92_A     P    92_A     18   26   45      3   10   20   21   25   26   29   30   33   37   39   41   44   49   56   58   62   65   69   74 
LCS_GDT     E    93_A     E    93_A     18   26   45      3   12   18   21   25   26   29   30   33   37   39   41   44   48   56   58   62   65   69   74 
LCS_GDT     A    94_A     A    94_A     18   26   45      4   14   18   21   25   26   29   30   33   37   39   43   49   53   56   59   63   67   71   74 
LCS_GDT     V    95_A     V    95_A     18   26   45      4   14   18   21   25   26   29   30   33   37   39   43   49   53   56   59   63   67   71   74 
LCS_GDT     E    96_A     E    96_A     18   26   45     10   14   20   21   25   26   29   30   33   37   39   43   49   53   56   59   63   67   71   74 
LCS_GDT     L    97_A     L    97_A     18   26   44     10   14   20   21   25   26   29   30   33   37   39   43   49   53   56   59   63   67   71   74 
LCS_GDT     V    98_A     V    98_A     18   26   44     10   14   20   21   25   26   29   30   33   37   39   44   49   53   56   59   64   67   71   78 
LCS_GDT     S    99_A     S    99_A     18   26   41     10   14   20   22   25   26   29   30   33   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     T   100_A     T   100_A     18   26   41     10   14   20   21   25   26   29   30   33   37   39   43   49   53   56   59   64   67   71   74 
LCS_GDT     F   101_A     F   101_A     18   26   41     10   14   20   21   25   26   29   30   33   37   39   44   47   53   56   59   64   67   71   74 
LCS_GDT     T   102_A     T   102_A     18   26   41     10   14   20   21   25   26   29   30   33   37   39   44   49   53   56   59   64   67   71   79 
LCS_GDT     Q   103_A     Q   103_A     18   26   41     10   14   20   21   25   26   29   30   33   37   39   44   49   53   56   59   64   67   71   74 
LCS_GDT     Q   104_A     Q   104_A     18   26   41     10   14   20   21   25   26   29   30   33   37   39   44   46   51   56   59   64   67   71   74 
LCS_GDT     F   105_A     F   105_A     18   26   41     10   13   20   21   25   26   29   30   33   37   39   41   44   51   53   58   64   67   73   79 
LCS_GDT     V   106_A     V   106_A     18   26   41      5   14   20   21   25   26   29   30   33   37   39   44   46   51   55   58   64   67   71   74 
LCS_GDT     D   107_A     D   107_A     18   26   41      6   14   20   21   25   26   29   30   33   37   39   44   46   51   55   59   64   67   71   74 
LCS_GDT     V   108_A     V   108_A     18   26   41      6   14   20   21   25   26   29   30   33   37   39   41   44   51   52   58   63   67   71   76 
LCS_GDT     I   109_A     I   109_A     18   26   41      5   12   20   21   25   26   29   30   33   37   39   41   44   46   51   58   62   66   73   79 
LCS_GDT     R   110_A     R   110_A     18   26   41      5   12   20   21   25   26   29   30   33   37   39   41   44   47   53   58   64   67   71   74 
LCS_GDT     G   111_A     G   111_A     17   26   41      4   12   20   21   25   26   29   30   33   37   39   41   44   51   53   58   64   67   71   74 
LCS_GDT     D   112_A     D   112_A     15   26   41      4    6   15   21   24   26   29   30   33   37   39   41   44   47   51   58   62   66   73   79 
LCS_GDT     P   113_A     P   113_A     15   26   41      4   10   16   21   25   26   29   30   33   37   39   41   44   46   51   57   62   65   69   73 
LCS_GDT     Q   114_A     Q   114_A      5   24   41      4    5    5    5    8   11   21   29   32   37   39   41   44   46   51   55   62   64   70   77 
LCS_GDT     A   115_A     A   115_A      5   24   47      4    5    5   10   14   20   25   29   32   37   39   41   44   46   54   58   62   66   73   79 
LCS_GDT     V   116_A     V   116_A      5    7   47      4    5    5    5    8   10   12   18   24   33   39   41   43   46   48   50   54   59   61   70 
LCS_GDT     A   117_A     A   117_A      3    5   47      3   13   18   20   25   26   29   30   33   37   39   41   44   46   49   54   62   66   70   78 
LCS_GDT     E   118_A     E   118_A      3    5   47      3   12   20   21   25   26   29   30   33   37   39   41   44   46   54   58   63   67   73   78 
LCS_GDT     H   119_A     H   119_A      4    6   47      4    4    4   19   23   26   29   30   32   37   39   41   43   45   49   54   62   66   72   79 
LCS_GDT     L   120_A     L   120_A      4   22   47      4    4    4    6    8   14   21   25   27   31   33   38   47   52   55   59   63   67   73   79 
LCS_GDT     N   121_A     N   121_A      4   27   47      4    7   12   16   22   25   27   31   36   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     I   122_A     I   122_A     20   30   47      4    8   17   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     S   123_A     S   123_A     20   30   47      9   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     L   124_A     L   124_A     20   30   47      8   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E   125_A     E   125_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   78 
LCS_GDT     D   126_A     D   126_A     20   30   47      5   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     V   127_A     V   127_A     20   30   47      7   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     A   128_A     A   128_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     R   129_A     R   129_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     L   130_A     L   130_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     A   131_A     A   131_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E   132_A     E   132_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     A   133_A     A   133_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     G   134_A     G   134_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E   135_A     E   135_A     20   30   47     10   18   19   23   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     A   136_A     A   136_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     A   137_A     A   137_A     20   30   47     10   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     I   138_A     I   138_A     20   30   47     10   18   19   23   28   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E   139_A     E   139_A     20   30   47      8   18   19   23   29   31   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     R   140_A     R   140_A     20   30   47      6   18   19   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     G   141_A     G   141_A     20   30   47      4    9   19   21   26   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E   142_A     E   142_A      3   30   47      1    3    3    5   25   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     G   143_A     G   143_A     14   30   47      8   10   15   19   22   26   29   35   37   41   42   44   48   52   55   59   63   66   70   79 
LCS_GDT     A   144_A     A   144_A     17   30   47      8   10   18   20   25   26   30   36   40   41   42   48   50   53   55   59   63   67   73   79 
LCS_GDT     S   145_A     S   145_A     17   30   47      8   10   18   20   25   28   32   36   40   41   42   46   50   52   55   59   63   67   73   79 
LCS_GDT     L   146_A     L   146_A     17   30   47      8   12   18   23   26   28   34   36   40   41   43   48   50   53   55   59   63   67   73   79 
LCS_GDT     G   147_A     G   147_A     17   30   47      8   12   18   23   26   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     V   148_A     V   148_A     17   30   47      8   12   18   23   26   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     H   149_A     H   149_A     17   30   47      8   10   18   23   26   30   34   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     R   150_A     R   150_A     17   30   47      8   12   18   23   26   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E   151_A     E   151_A     17   30   47      9   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     L   152_A     L   152_A     17   28   47      9   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     R   153_A     R   153_A     17   28   47      9   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     R   154_A     R   154_A     17   28   47      9   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     I   155_A     I   155_A     17   28   47      9   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     E   156_A     E   156_A     17   28   47      9   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     A   157_A     A   157_A     17   28   47      9   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     R   158_A     R   158_A     17   28   47      9   12   18   20   28   31   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     R   159_A     R   159_A     17   28   47      9   12   18   20   25   28   34   40   41   42   43   48   50   53   55   59   63   67   73   79 
LCS_GDT     N   160_A     N   160_A     17   28   47      3   12   18   26   29   32   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_GDT     S   161_A     S   161_A     16   28   47      3   10   18   20   25   30   35   40   41   42   44   48   50   53   55   59   63   67   73   79 
LCS_AVERAGE  LCS_A:  17.86  (  10.36   15.31   27.91 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     13     18     21     26     29     32     35     40     41     42     44     48     50     53     56     59     64     67     73     79 
GDT PERCENT_AT   8.61  11.92  13.91  17.22  19.21  21.19  23.18  26.49  27.15  27.81  29.14  31.79  33.11  35.10  37.09  39.07  42.38  44.37  48.34  52.32
GDT RMS_LOCAL    0.30   0.58   0.83   1.58   1.70   1.94   2.15   2.45   2.55   2.64   3.12   3.43   3.58   3.88   5.19   4.48   5.90   5.33   6.33   7.10
GDT RMS_ALL_AT  20.27  17.60  21.24  13.56  13.43  14.55  14.00  14.21  14.05  13.92  13.76  13.92  13.76  13.75  19.82  13.76  17.91  13.25  12.62  12.50

# 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    30_A      D    30_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    40_A      D    40_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  D    45_A      D    45_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  D    61_A      D    61_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  D    76_A      D    76_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E    96_A      E    96_A
#   possible swapping detected:  F   101_A      F   101_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  D   126_A      D   126_A
#   possible swapping detected:  E   132_A      E   132_A
#   possible swapping detected:  E   135_A      E   135_A
#   possible swapping detected:  E   139_A      E   139_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    10.877     0    0.531   1.158    18.106    5.476    2.434
LGA    A    12_A      A    12_A     7.543     0    0.113   0.111     9.173    4.048    3.524
LGA    V    13_A      V    13_A     6.904     0    0.115   1.160    11.123   23.810   14.694
LGA    E    14_A      E    14_A     2.432     0    0.164   0.523     6.655   68.690   46.561
LGA    D    15_A      D    15_A     3.847     0    0.030   1.312     7.681   44.405   29.583
LGA    F    16_A      F    16_A     3.070     0    0.069   1.443     3.582   52.024   62.944
LGA    L    17_A      L    17_A     3.870     0    0.064   0.099     7.376   36.905   27.321
LGA    R    18_A      R    18_A     7.853     0    0.085   1.053    12.707    7.500    3.463
LGA    V    19_A      V    19_A     9.621     0    0.104   1.154    11.288    1.667    1.224
LGA    H    20_A      H    20_A     6.914     0    0.126   0.482     9.996    6.310   19.667
LGA    S    21_A      S    21_A    12.475     0    0.105   0.581    15.938    0.119    0.079
LGA    E    22_A      E    22_A    16.168     0    0.168   0.964    18.798    0.000    0.000
LGA    L    23_A      L    23_A    14.685     0    0.570   1.201    15.421    0.000    0.000
LGA    V    24_A      V    24_A    17.068     0    0.034   0.124    19.063    0.000    0.000
LGA    H    25_A      H    25_A    22.546     0    0.201   1.386    27.252    0.000    0.000
LGA    R    26_A      R    26_A    23.208     0    0.190   1.086    24.187    0.000    0.000
LGA    L    27_A      L    27_A    20.153     0    0.235   1.358    22.749    0.000    0.000
LGA    A    28_A      A    28_A    21.983     0    0.123   0.120    25.665    0.000    0.000
LGA    G    29_A      G    29_A    29.152     0    0.304   0.304    32.123    0.000    0.000
LGA    D    30_A      D    30_A    29.267     0    0.098   1.252    29.727    0.000    0.000
LGA    P    31_A      P    31_A    26.987     0    0.072   0.408    30.084    0.000    0.000
LGA    P    32_A      P    32_A    21.570     0    0.343   0.471    24.025    0.000    0.000
LGA    D    33_A      D    33_A    19.934     0    0.399   1.256    22.105    0.000    0.000
LGA    E    34_A      E    34_A    15.611     0    0.074   1.134    17.292    0.000    0.000
LGA    L    35_A      L    35_A    12.092     0    0.102   1.363    13.831    0.000    0.000
LGA    F    36_A      F    36_A    12.185     0    0.040   0.228    14.606    0.000    0.000
LGA    Q    37_A      Q    37_A    13.492     0    0.050   0.199    19.520    0.000    0.000
LGA    R    38_A      R    38_A     9.294     0    0.012   1.453    10.931    4.048    6.190
LGA    L    39_A      L    39_A     7.454     0    0.035   1.407     8.514    5.595   12.679
LGA    D    40_A      D    40_A    11.476     0    0.057   0.548    16.332    0.000    0.000
LGA    R    41_A      R    41_A    10.974     0    0.049   0.794    12.638    0.119    0.216
LGA    F    42_A      F    42_A     7.312     0    0.049   0.344     8.931    5.595   15.152
LGA    V    43_A      V    43_A    10.163     0    0.076   0.152    12.530    0.714    0.816
LGA    T    44_A      T    44_A    14.409     0    0.055   1.033    17.822    0.000    0.000
LGA    D    45_A      D    45_A    12.854     0    0.053   0.146    14.339    0.000    0.060
LGA    A    46_A      A    46_A    12.733     0    0.055   0.060    15.473    0.000    0.000
LGA    I    47_A      I    47_A    16.691     0    0.156   0.144    19.771    0.000    0.000
LGA    I    48_A      I    48_A    18.702     0    0.034   0.083    20.295    0.000    0.000
LGA    E    49_A      E    49_A    17.805     0    0.142   0.763    19.402    0.000    0.000
LGA    G    50_A      G    50_A    19.292     0    0.182   0.182    20.937    0.000    0.000
LGA    N    51_A      N    51_A    22.124     0    0.041   0.257    26.866    0.000    0.000
LGA    P    52_A      P    52_A    21.990     0    0.051   0.138    23.956    0.000    0.000
LGA    E    53_A      E    53_A    26.934     0    0.161   1.129    33.383    0.000    0.000
LGA    R    54_A      R    54_A    25.473     0    0.401   1.107    29.380    0.000    0.000
LGA    R    55_A      R    55_A    20.956     0    0.075   0.883    24.733    0.000    0.000
LGA    D    56_A      D    56_A    25.414     0    0.105   1.024    30.024    0.000    0.000
LGA    E    57_A      E    57_A    25.888     0    0.044   0.070    30.555    0.000    0.000
LGA    I    58_A      I    58_A    19.103     0    0.039   0.714    21.534    0.000    0.000
LGA    K    59_A      K    59_A    18.661     0    0.076   0.661    21.421    0.000    0.000
LGA    A    60_A      A    60_A    23.036     0    0.122   0.124    25.743    0.000    0.000
LGA    D    61_A      D    61_A    19.534     0    0.048   0.285    22.905    0.000    0.000
LGA    L    62_A      L    62_A    14.816     0    0.029   1.352    16.473    0.000    0.000
LGA    A    63_A      A    63_A    19.335     0    0.028   0.028    21.760    0.000    0.000
LGA    R    64_A      R    64_A    19.926     0    0.094   1.450    25.262    0.000    0.000
LGA    A    65_A      A    65_A    13.747     0    0.096   0.090    15.989    0.000    0.000
LGA    A    66_A      A    66_A    13.981     0    0.108   0.115    15.327    0.000    0.000
LGA    R    67_A      R    67_A    18.013     0    0.042   1.559    24.480    0.000    0.000
LGA    V    68_A      V    68_A    14.330     0    0.075   0.120    16.593    0.000    0.000
LGA    F    69_A      F    69_A    10.216     0    0.050   0.791    11.428    0.000    1.948
LGA    G    70_A      G    70_A    14.931     0    0.053   0.053    15.188    0.000    0.000
LGA    E    71_A      E    71_A    15.334     0    0.038   1.303    18.135    0.000    0.000
LGA    A    72_A      A    72_A     9.917     0    0.078   0.076    11.628    0.595    1.048
LGA    L    73_A      L    73_A    11.892     0    0.186   1.401    15.233    0.000    0.000
LGA    E    74_A      E    74_A    16.230     0    0.680   1.400    19.313    0.000    0.000
LGA    R    75_A      R    75_A    17.541     0    0.338   1.469    20.757    0.000    0.000
LGA    D    76_A      D    76_A    20.965     0    0.161   0.924    23.917    0.000    0.000
LGA    I    77_A      I    77_A    18.027     0    0.298   0.305    19.759    0.000    0.000
LGA    T    78_A      T    78_A    17.975     0    0.708   0.973    19.079    0.000    0.000
LGA    T    79_A      T    79_A    15.415     0    0.136   0.173    18.057    0.000    0.000
LGA    P    80_A      P    80_A    13.643     0    0.056   0.490    17.952    0.000    0.000
LGA    E    81_A      E    81_A    11.156     0    0.061   1.349    13.989    2.500    1.111
LGA    D    82_A      D    82_A     6.144     0    0.051   1.193     8.668   21.310   13.452
LGA    F    83_A      F    83_A     5.463     0    0.101   0.951     8.391   23.929   14.978
LGA    N    84_A      N    84_A     8.686     0    0.037   0.344    14.035    4.524    2.262
LGA    A    85_A      A    85_A     7.951     0    0.026   0.028     9.552    5.476    6.381
LGA    F    86_A      F    86_A     7.267     0    0.029   1.385     9.987    8.095    8.052
LGA    L    87_A      L    87_A     9.098     0    0.045   0.154    13.144    2.143    4.524
LGA    R    88_A      R    88_A    14.787     0    0.080   0.605    17.768    0.000    0.000
LGA    E    89_A      E    89_A    15.725     0    0.131   0.124    18.506    0.000    0.000
LGA    L    90_A      L    90_A    15.567     0    0.077   0.262    19.214    0.000    0.000
LGA    G    91_A      G    91_A    20.526     0    0.599   0.599    21.475    0.000    0.000
LGA    P    92_A      P    92_A    23.665     0    0.062   0.488    25.049    0.000    0.000
LGA    E    93_A      E    93_A    21.907     0    0.579   1.152    26.799    0.000    0.000
LGA    A    94_A      A    94_A    16.650     0    0.170   0.178    18.881    0.000    0.000
LGA    V    95_A      V    95_A    17.232     0    0.059   0.985    19.513    0.000    0.000
LGA    E    96_A      E    96_A    21.678     0    0.069   0.988    27.773    0.000    0.000
LGA    L    97_A      L    97_A    19.533     0    0.027   1.348    21.459    0.000    0.000
LGA    V    98_A      V    98_A    14.249     0    0.030   0.067    15.816    0.000    0.000
LGA    S    99_A      S    99_A    18.262     0    0.090   0.089    21.764    0.000    0.000
LGA    T   100_A      T   100_A    21.314     0    0.029   0.107    24.516    0.000    0.000
LGA    F   101_A      F   101_A    16.569     0    0.070   1.440    17.906    0.000    0.000
LGA    T   102_A      T   102_A    14.243     0    0.039   0.883    16.072    0.000    0.000
LGA    Q   103_A      Q   103_A    19.553     0    0.060   1.600    24.323    0.000    0.000
LGA    Q   104_A      Q   104_A    19.450     0    0.074   0.105    25.648    0.000    0.000
LGA    F   105_A      F   105_A    13.987     0    0.077   0.976    15.606    0.000    0.606
LGA    V   106_A      V   106_A    15.736     0    0.034   0.114    18.689    0.000    0.000
LGA    D   107_A      D   107_A    20.348     0    0.052   1.182    24.792    0.000    0.000
LGA    V   108_A      V   108_A    16.948     0    0.029   0.126    18.280    0.000    0.000
LGA    I   109_A      I   109_A    12.557     0    0.057   0.646    13.943    0.000    0.000
LGA    R   110_A      R   110_A    17.802     0    0.053   1.528    25.464    0.000    0.000
LGA    G   111_A      G   111_A    19.957     0    0.139   0.139    19.957    0.000    0.000
LGA    D   112_A      D   112_A    14.009     0    0.534   0.561    15.817    0.000    0.000
LGA    P   113_A      P   113_A    13.578     0    0.037   0.616    14.451    0.000    0.000
LGA    Q   114_A      Q   114_A    13.524     0    0.062   0.837    17.846    0.000    0.000
LGA    A   115_A      A   115_A    13.899     0    0.072   0.067    14.924    0.000    0.000
LGA    V   116_A      V   116_A    14.877     0    0.085   1.035    18.901    0.000    0.000
LGA    A   117_A      A   117_A    11.255     0    0.596   0.591    12.119    0.000    0.000
LGA    E   118_A      E   118_A    11.266     0    0.294   0.938    13.496    0.000    0.000
LGA    H   119_A      H   119_A    13.397     0    0.623   1.116    20.986    0.000    0.000
LGA    L   120_A      L   120_A     9.442     0    0.194   0.267    10.512    1.786    2.262
LGA    N   121_A      N   121_A     7.808     0    0.232   0.759     9.920   13.214    7.381
LGA    I   122_A      I   122_A     2.682     0    0.614   1.637     4.705   43.929   48.095
LGA    S   123_A      S   123_A     2.440     0    0.662   0.588     4.157   57.857   61.508
LGA    L   124_A      L   124_A     0.236     0    0.143   1.339     3.179   97.619   84.762
LGA    E   125_A      E   125_A     1.385     0    0.043   0.696     4.582   81.548   58.677
LGA    D   126_A      D   126_A     1.855     0    0.091   0.171     3.337   75.000   65.238
LGA    V   127_A      V   127_A     1.359     0    0.042   0.043     2.666   85.952   75.850
LGA    A   128_A      A   128_A     1.216     0    0.049   0.048     1.969   83.690   81.524
LGA    R   129_A      R   129_A     1.948     0    0.042   1.607     5.129   75.000   58.355
LGA    L   130_A      L   130_A     1.820     0    0.017   1.022     3.240   79.286   70.238
LGA    A   131_A      A   131_A     1.467     0    0.036   0.038     2.215   79.286   76.381
LGA    E   132_A      E   132_A     2.035     0    0.026   0.181     4.353   70.952   56.508
LGA    A   133_A      A   133_A     1.865     0    0.060   0.056     2.578   79.286   74.857
LGA    G   134_A      G   134_A     1.287     0    0.033   0.033     1.409   83.690   83.690
LGA    E   135_A      E   135_A     2.530     0    0.046   0.142     4.980   62.976   48.836
LGA    A   136_A      A   136_A     2.608     0    0.057   0.055     3.228   64.881   61.905
LGA    A   137_A      A   137_A     1.241     0    0.027   0.028     2.078   85.952   81.714
LGA    I   138_A      I   138_A     2.532     0    0.030   0.035     5.019   63.214   48.869
LGA    E   139_A      E   139_A     3.645     0    0.046   0.883     6.295   50.119   35.344
LGA    R   140_A      R   140_A     2.539     0    0.205   0.934     6.082   64.881   44.286
LGA    G   141_A      G   141_A     2.560     0    0.674   0.674     2.560   71.190   71.190
LGA    E   142_A      E   142_A     2.799     0    0.155   1.044    10.315   53.810   31.111
LGA    G   143_A      G   143_A     7.365     0    0.620   0.620     7.365   16.667   16.667
LGA    A   144_A      A   144_A     6.064     0    0.064   0.067     6.792   20.833   20.095
LGA    S   145_A      S   145_A     6.540     0    0.037   0.693    10.256   16.310   12.063
LGA    L   146_A      L   146_A     5.842     0    0.066   1.068     6.346   25.357   22.917
LGA    G   147_A      G   147_A     3.476     0    0.066   0.066     4.313   48.571   48.571
LGA    V   148_A      V   148_A     3.250     0    0.059   1.239     5.764   50.119   41.633
LGA    H   149_A      H   149_A     3.958     0    0.085   0.360     6.830   43.333   29.619
LGA    R   150_A      R   150_A     3.549     0    0.100   1.437    11.764   52.143   26.277
LGA    E   151_A      E   151_A     0.822     0    0.073   0.605     1.941   88.452   86.667
LGA    L   152_A      L   152_A     1.502     0    0.082   1.357     5.175   79.286   65.357
LGA    R   153_A      R   153_A     1.131     0    0.020   1.331     3.273   85.952   71.602
LGA    R   154_A      R   154_A     0.297     0    0.010   0.951     4.669   95.238   78.918
LGA    I   155_A      I   155_A     1.523     0    0.027   0.661     2.256   75.238   74.107
LGA    E   156_A      E   156_A     1.754     0    0.035   0.338     3.070   72.857   66.772
LGA    A   157_A      A   157_A     0.695     0    0.043   0.040     1.781   81.667   83.429
LGA    R   158_A      R   158_A     2.852     0    0.078   1.351     3.648   55.833   61.212
LGA    R   159_A      R   159_A     3.934     0    0.064   1.101    10.764   46.667   22.900
LGA    N   160_A      N   160_A     1.702     0    0.120   0.362     4.285   72.976   61.131
LGA    S   161_A      S   161_A     3.408     0    0.071   0.532     5.887   45.119   39.841

# 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):    12.282         12.179                 12.878           19.426   16.949

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  164  151    4.0     40    2.45    23.675    21.688     1.569

LGA_LOCAL      RMSD:   2.450  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.212  Number of assigned atoms:  151 
Std_ASGN_ATOMS RMSD:  12.282  Standard rmsd on all 151 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.698119 * X  +  -0.559566 * Y  +  -0.446671 * Z  +  -0.289887
  Y_new =  -0.302488 * X  +   0.795956 * Y  +  -0.524361 * Z  + -26.869707
  Z_new =   0.648945 * X  +  -0.230953 * Y  +  -0.724935 * Z  + -45.100487 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.732721 -0.706197 -2.833174   [DEG: -156.5734  -40.4621 -162.3289 ]
ZXZ: -0.705561  2.381736  1.912709   [DEG:  -40.4257  136.4634  109.5902 ]
 
# END of job
