
#######################################################
#                                                     #
#                        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:    59      16_A - 74_A        4.99    25.35
  LONGEST_CONTINUOUS_SEGMENT:    59      17_A - 75_A        4.90    25.35
  LONGEST_CONTINUOUS_SEGMENT:    59      18_A - 76_A        4.90    25.34
  LONGEST_CONTINUOUS_SEGMENT:    59      19_A - 77_A        4.77    25.28
  LONGEST_CONTINUOUS_SEGMENT:    59      20_A - 78_A        4.78    25.17
  LCS_AVERAGE:     32.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      50_A - 76_A        1.88    23.74
  LCS_AVERAGE:     13.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      53_A - 74_A        0.99    23.16
  LONGEST_CONTINUOUS_SEGMENT:    22      54_A - 75_A        0.75    23.23
  LCS_AVERAGE:      9.43

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   19   45      3    3    4    7   14   16   22   25   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     A    12_A     A    12_A     17   19   45      4    8   12   17   22   23   24   26   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     V    13_A     V    13_A     17   19   45      8   14   16   18   22   23   24   26   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     E    14_A     E    14_A     17   19   45      8   14   16   18   22   23   24   26   29   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     D    15_A     D    15_A     17   19   47      7   14   16   18   22   22   24   26   29   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     F    16_A     F    16_A     17   19   59      6   14   16   18   22   22   24   25   29   34   41   45   50   53   57   62   65   66   74   77 
LCS_GDT     L    17_A     L    17_A     17   19   59      6   14   16   18   22   22   24   25   29   34   41   45   50   53   57   62   65   66   72   77 
LCS_GDT     R    18_A     R    18_A     17   19   59      7   14   16   18   22   22   24   25   29   33   40   44   48   52   56   62   65   66   69   77 
LCS_GDT     V    19_A     V    19_A     17   19   59      8   14   16   18   22   22   24   25   29   33   38   44   47   52   56   62   65   66   69   73 
LCS_GDT     H    20_A     H    20_A     17   19   59      8   14   16   18   22   22   24   30   40   46   48   49   52   54   56   62   65   66   69   76 
LCS_GDT     S    21_A     S    21_A     17   19   59      8   14   16   18   22   22   24   25   29   34   41   47   51   54   56   62   65   66   69   73 
LCS_GDT     E    22_A     E    22_A     17   19   59      8   14   16   18   22   22   24   25   29   33   38   44   46   52   56   62   65   66   69   73 
LCS_GDT     L    23_A     L    23_A     17   19   59      8   14   16   18   22   22   24   25   29   33   38   44   51   54   56   62   65   66   69   73 
LCS_GDT     V    24_A     V    24_A     17   19   59      8   14   16   23   29   32   36   40   45   46   48   49   52   54   56   62   65   66   69   73 
LCS_GDT     H    25_A     H    25_A     17   19   59      5   14   16   18   22   23   31   39   45   46   48   49   52   54   55   62   65   66   69   73 
LCS_GDT     R    26_A     R    26_A     17   19   59      8   14   16   18   22   22   24   25   30   38   45   49   52   54   56   62   65   66   69   73 
LCS_GDT     L    27_A     L    27_A     17   19   59      4   17   22   24   27   30   34   38   41   43   48   49   52   54   55   62   65   66   69   73 
LCS_GDT     A    28_A     A    28_A     17   19   59      5   10   16   18   26   32   36   40   45   46   48   49   52   54   55   55   56   66   66   72 
LCS_GDT     G    29_A     G    29_A     17   19   59      4   13   16   23   29   32   36   40   45   46   48   49   52   54   55   62   65   66   69   73 
LCS_GDT     D    30_A     D    30_A      5   18   59      4    6   16   23   29   32   36   40   45   46   48   49   52   54   56   62   65   66   69   73 
LCS_GDT     P    31_A     P    31_A      5   21   59      4    6    9   19   28   32   36   40   45   46   48   49   52   54   56   62   65   66   69   73 
LCS_GDT     P    32_A     P    32_A      5   22   59      4    6    9   16   20   30   35   40   45   46   48   49   52   54   57   62   65   66   69   73 
LCS_GDT     D    33_A     D    33_A     19   22   59      9   16   19   19   20   22   31   38   42   45   48   49   52   54   57   59   64   66   69   72 
LCS_GDT     E    34_A     E    34_A     19   22   59      9   17   19   19   20   29   35   40   45   46   48   49   52   54   57   59   64   66   68   70 
LCS_GDT     L    35_A     L    35_A     19   22   59     12   17   19   19   20   22   26   33   38   44   46   49   50   54   55   56   61   64   68   70 
LCS_GDT     F    36_A     F    36_A     19   22   59     12   17   19   19   20   22   26   33   42   45   48   49   52   54   57   62   65   66   69   72 
LCS_GDT     Q    37_A     Q    37_A     19   22   59     12   17   19   23   29   32   36   40   45   46   48   49   52   54   57   59   64   66   68   70 
LCS_GDT     R    38_A     R    38_A     19   22   59     12   17   19   19   20   23   32   39   45   46   48   49   52   54   55   55   56   58   63   65 
LCS_GDT     L    39_A     L    39_A     19   22   59     12   17   19   19   20   22   28   36   42   45   48   49   52   54   55   55   56   59   63   65 
LCS_GDT     D    40_A     D    40_A     19   22   59     12   17   19   20   28   31   36   40   45   46   48   49   52   54   57   59   64   66   69   72 
LCS_GDT     R    41_A     R    41_A     19   22   59     12   17   19   20   28   32   36   40   45   46   48   49   52   54   55   55   56   58   61   66 
LCS_GDT     F    42_A     F    42_A     19   22   59     12   17   19   19   20   22   32   38   45   46   48   49   52   54   55   55   56   58   61   64 
LCS_GDT     V    43_A     V    43_A     19   22   59     12   17   19   19   20   25   34   39   45   46   48   49   52   54   55   55   56   58   63   72 
LCS_GDT     T    44_A     T    44_A     19   22   59     12   17   19   24   29   32   36   40   45   46   48   49   52   54   55   55   56   61   66   70 
LCS_GDT     D    45_A     D    45_A     19   22   59     12   17   19   19   20   32   36   40   45   46   48   49   52   54   55   55   56   58   61   64 
LCS_GDT     A    46_A     A    46_A     19   22   59     12   17   19   19   20   25   34   40   45   46   48   49   52   54   55   55   56   58   61   64 
LCS_GDT     I    47_A     I    47_A     19   22   59     12   17   19   20   28   32   36   40   45   46   48   49   52   54   55   56   62   67   74   77 
LCS_GDT     I    48_A     I    48_A     19   22   59     12   17   19   19   20   32   36   40   45   46   48   49   52   54   55   55   62   64   72   77 
LCS_GDT     E    49_A     E    49_A     19   22   59      7   17   19   19   20   24   33   39   45   46   48   49   52   54   55   55   56   59   69   70 
LCS_GDT     G    50_A     G    50_A     19   27   59      9   17   19   19   20   25   32   40   45   46   48   49   52   54   55   55   62   65   72   77 
LCS_GDT     N    51_A     N    51_A     19   27   59     10   17   19   23   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     P    52_A     P    52_A      4   27   59      3    5   16   23   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     E    53_A     E    53_A     22   27   59      3    5   16   23   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     R    54_A     R    54_A     22   27   59      8   18   22   24   29   32   36   40   45   46   48   49   52   54   56   62   65   69   74   76 
LCS_GDT     R    55_A     R    55_A     22   27   59      8   19   22   24   29   32   36   40   45   46   48   49   52   54   55   62   65   69   74   76 
LCS_GDT     D    56_A     D    56_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   56   62   65   66   69   74 
LCS_GDT     E    57_A     E    57_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   57   62   65   66   69   74 
LCS_GDT     I    58_A     I    58_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   57   62   65   69   74   77 
LCS_GDT     K    59_A     K    59_A     22   27   59      8   19   22   24   29   32   36   40   45   46   48   49   52   54   57   62   65   69   74   77 
LCS_GDT     A    60_A     A    60_A     22   27   59      8   19   22   24   29   32   36   40   45   46   48   49   52   54   56   62   65   66   69   75 
LCS_GDT     D    61_A     D    61_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   57   62   65   69   74   76 
LCS_GDT     L    62_A     L    62_A     22   27   59     11   19   22   24   29   32   36   40   45   46   48   49   52   54   57   62   65   69   74   77 
LCS_GDT     A    63_A     A    63_A     22   27   59     11   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   76 
LCS_GDT     R    64_A     R    64_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   60   64   67   72   75 
LCS_GDT     A    65_A     A    65_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     A    66_A     A    66_A     22   27   59     11   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     R    67_A     R    67_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   76 
LCS_GDT     V    68_A     V    68_A     22   27   59     11   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     F    69_A     F    69_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     G    70_A     G    70_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     E    71_A     E    71_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     A    72_A     A    72_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     L    73_A     L    73_A     22   27   59     12   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     E    74_A     E    74_A     22   27   59      6   19   22   24   29   32   36   40   45   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     R    75_A     R    75_A     22   27   59      6   19   22   24   28   32   36   38   43   46   48   49   52   54   55   61   64   69   74   77 
LCS_GDT     D    76_A     D    76_A      8   27   59      3    6   12   15   23   24   27   29   32   39   43   44   49   51   55   61   64   69   74   77 
LCS_GDT     I    77_A     I    77_A      8   25   59      3    8   12   15   18   23   24   29   34   38   42   47   49   51   55   61   64   69   74   77 
LCS_GDT     T    78_A     T    78_A     10   14   59      4    8   12   15   18   23   25   27   30   35   39   45   46   49   55   61   64   69   74   77 
LCS_GDT     T    79_A     T    79_A     10   14   57      4    8   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     P    80_A     P    80_A     10   14   45      4    8   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     E    81_A     E    81_A     10   14   45      4    9   12   15   18   21   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     D    82_A     D    82_A     10   14   45      6    9   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     F    83_A     F    83_A     10   14   45      6    9   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     N    84_A     N    84_A     10   14   45      6    9   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     A    85_A     A    85_A     10   14   45      6    9   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     F    86_A     F    86_A     10   14   45      6    9   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     L    87_A     L    87_A     10   14   45      6    9   12   15   18   23   24   26   30   35   39   42   45   49   55   61   64   69   74   77 
LCS_GDT     R    88_A     R    88_A     10   14   45      4    9   11   14   18   23   24   26   29   35   39   42   45   49   52   54   60   69   74   75 
LCS_GDT     E    89_A     E    89_A     11   12   45      3    3   11   11   11   11   12   16   17   27   30   33   37   38   40   45   48   49   56   59 
LCS_GDT     L    90_A     L    90_A     11   12   45      4    9   11   14   17   18   22   25   28   35   39   42   45   49   52   54   58   69   74   75 
LCS_GDT     G    91_A     G    91_A     11   12   45      3    8   11   15   18   23   24   26   30   35   39   42   45   49   52   54   56   60   74   75 
LCS_GDT     P    92_A     P    92_A     11   12   45      6    8   12   15   22   23   24   26   30   35   39   42   45   49   52   54   56   69   74   75 
LCS_GDT     E    93_A     E    93_A     11   12   45      6    8   11   14   18   21   23   24   30   35   39   42   45   49   54   61   64   69   74   77 
LCS_GDT     A    94_A     A    94_A     11   12   45      6    8   11   16   22   22   22   23   26   35   39   42   45   49   54   61   64   69   74   77 
LCS_GDT     V    95_A     V    95_A     11   12   45      6    8   11   11   11   11   12   13   17   21   29   40   45   49   52   56   63   69   74   77 
LCS_GDT     E    96_A     E    96_A     11   12   45      5    8   11   11   11   13   14   17   24   28   35   42   45   49   55   62   65   69   74   77 
LCS_GDT     L    97_A     L    97_A     11   12   45      6    8   11   11   13   19   24   27   30   32   32   44   46   52   56   62   65   69   74   77 
LCS_GDT     V    98_A     V    98_A     11   12   29      6    8   11   11   12   16   24   27   30   34   41   45   50   53   57   62   65   66   74   77 
LCS_GDT     S    99_A     S    99_A     11   16   29      4    8   11   11   13   20   24   27   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     T   100_A     T   100_A      6   22   29      4    5    6   11   15   23   26   27   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     F   101_A     F   101_A     13   22   29      5   10   12   16   21   23   26   27   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     T   102_A     T   102_A     13   22   29      6   10   12   16   21   23   26   27   30   34   39   45   50   53   57   61   64   69   74   77 
LCS_GDT     Q   103_A     Q   103_A     13   22   29      6   10   12   15   21   23   26   27   30   34   41   45   50   53   57   61   64   69   74   77 
LCS_GDT     Q   104_A     Q   104_A     13   22   29      6   10   12   16   21   23   26   27   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     F   105_A     F   105_A     13   22   29      5   10   12   15   21   23   26   27   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     V   106_A     V   106_A     13   22   29      6   10   12   15   21   23   26   27   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     D   107_A     D   107_A     13   22   29      6   10   12   16   21   23   26   27   30   34   40   45   50   53   57   62   65   66   70   77 
LCS_GDT     V   108_A     V   108_A     13   22   29      6   10   12   16   21   23   26   27   30   34   41   45   50   53   57   62   65   66   69   77 
LCS_GDT     I   109_A     I   109_A     13   22   29      4   10   12   15   21   23   26   27   30   34   41   45   50   53   57   62   65   66   69   76 
LCS_GDT     R   110_A     R   110_A     13   22   29      4   10   12   16   21   23   26   27   30   32   32   38   48   53   57   59   64   66   69   73 
LCS_GDT     G   111_A     G   111_A     13   22   29      4   10   12   16   21   23   26   27   30   32   32   36   42   52   56   59   64   66   69   72 
LCS_GDT     D   112_A     D   112_A     13   22   29      4   10   12   16   21   23   26   27   30   34   39   45   50   53   57   59   65   66   69   73 
LCS_GDT     P   113_A     P   113_A     13   22   29      3    8   12   16   21   23   26   27   30   33   40   45   50   53   57   62   65   66   69   73 
LCS_GDT     Q   114_A     Q   114_A      9   22   29      5    8   12   16   21   23   26   27   30   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     A   115_A     A   115_A      9   22   32      5    8   11   16   21   23   26   27   30   34   40   45   50   53   57   62   65   66   69   73 
LCS_GDT     V   116_A     V   116_A      9   22   35      5    8   12   16   21   23   26   27   30   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     A   117_A     A   117_A      9   22   38      5    8   12   16   21   23   26   27   30   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     E   118_A     E   118_A      9   22   40      5    8   12   16   21   23   26   27   30   33   39   45   50   53   57   62   65   66   69   73 
LCS_GDT     H   119_A     H   119_A      9   22   43      4    8   12   15   21   21   24   27   30   32   32   34   35   37   42   49   51   60   66   71 
LCS_GDT     L   120_A     L   120_A      9   22   43      4    6   10   16   21   23   26   27   30   32   33   37   39   40   43   47   51   58   62   69 
LCS_GDT     N   121_A     N   121_A      9   22   43      4    7   11   16   21   23   26   27   30   32   33   37   45   49   50   59   62   66   69   72 
LCS_GDT     I   122_A     I   122_A      3   18   43      1    3    6   10   15   20   21   25   29   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     S   123_A     S   123_A      5   19   43      3    5    5   16   16   19   24   25   30   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     L   124_A     L   124_A      5   19   43      3    6   12   16   18   19   21   25   30   34   39   45   50   53   57   62   65   66   69   73 
LCS_GDT     E   125_A     E   125_A      5   19   43      3   10   14   16   19   22   24   25   29   34   39   44   47   53   57   62   65   66   69   73 
LCS_GDT     D   126_A     D   126_A      6   19   43      4    7   14   16   18   19   22   25   30   34   40   45   50   53   57   62   65   66   69   73 
LCS_GDT     V   127_A     V   127_A      6   19   43      4    5    7   14   18   19   21   25   30   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     A   128_A     A   128_A      6   19   43      4    5    7   14   18   19   21   25   29   34   39   44   50   53   57   62   65   66   69   73 
LCS_GDT     R   129_A     R   129_A     13   19   43      4   11   14   16   18   19   21   25   30   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     L   130_A     L   130_A     13   19   43      7   11   14   16   18   19   22   25   30   34   41   45   50   53   57   62   65   66   69   73 
LCS_GDT     A   131_A     A   131_A     13   19   43      7   11   14   16   18   19   22   25   30   34   41   45   50   53   57   62   65   66   69   74 
LCS_GDT     E   132_A     E   132_A     13   19   43      6   11   14   16   18   19   22   25   30   34   41   45   50   53   57   62   65   66   69   74 
LCS_GDT     A   133_A     A   133_A     13   19   43      7   11   14   16   18   19   22   25   30   34   41   45   50   53   57   62   65   66   69   74 
LCS_GDT     G   134_A     G   134_A     13   19   43      7   11   14   16   18   19   22   25   30   34   41   45   50   53   57   62   65   67   74   77 
LCS_GDT     E   135_A     E   135_A     13   19   43      7   11   14   16   18   19   22   25   30   34   41   45   50   53   57   62   65   69   74   77 
LCS_GDT     A   136_A     A   136_A     13   19   43      7   11   14   16   18   19   22   25   30   34   41   45   50   53   57   62   65   67   72   77 
LCS_GDT     A   137_A     A   137_A     13   19   43      7   11   14   16   18   19   22   25   30   34   41   45   50   53   57   59   64   66   72   77 
LCS_GDT     I   138_A     I   138_A     13   19   43      4   11   14   16   18   19   22   25   30   34   41   45   50   53   57   61   64   69   74   77 
LCS_GDT     E   139_A     E   139_A     13   19   43      4   11   14   16   18   19   22   25   30   34   41   45   50   53   57   61   64   69   74   77 
LCS_GDT     R   140_A     R   140_A     13   19   43      4    8   14   16   18   19   22   25   30   34   41   45   50   53   57   59   64   66   69   72 
LCS_GDT     G   141_A     G   141_A     13   19   43      4    8   14   16   18   19   21   25   30   34   39   45   48   53   57   59   64   64   68   72 
LCS_GDT     E   142_A     E   142_A      3   18   43      3    6    9   14   15   18   24   27   30   32   33   37   43   49   53   54   56   61   64   68 
LCS_GDT     G   143_A     G   143_A     11   19   43      3    8   13   17   17   17   21   25   29   32   33   37   39   40   48   51   55   58   61   66 
LCS_GDT     A   144_A     A   144_A     11   19   43      4    8   13   17   18   23   26   27   30   32   32   36   43   49   53   61   64   69   74   77 
LCS_GDT     S   145_A     S   145_A     15   19   43      4    8   14   17   18   23   26   27   30   32   33   37   39   40   47   55   59   64   64   70 
LCS_GDT     L   146_A     L   146_A     15   19   43      3    9   14   17   17   21   26   27   30   32   33   37   39   40   43   47   49   60   63   66 
LCS_GDT     G   147_A     G   147_A     15   19   43      4    8   13   17   17   21   26   27   30   32   33   37   39   46   55   61   64   69   74   77 
LCS_GDT     V   148_A     V   148_A     15   19   43     10   12   14   17   17   21   26   27   30   32   36   39   43   47   55   61   64   69   74   77 
LCS_GDT     H   149_A     H   149_A     15   19   43     10   12   14   17   17   18   21   24   28   30   33   37   41   46   55   61   64   69   74   77 
LCS_GDT     R   150_A     R   150_A     15   19   43     10   12   14   17   17   18   19   23   27   30   33   37   39   45   55   61   64   69   74   77 
LCS_GDT     E   151_A     E   151_A     15   19   43     10   12   14   17   17   18   19   23   27   30   36   39   43   47   55   61   64   69   74   77 
LCS_GDT     L   152_A     L   152_A     15   19   43     10   12   14   17   17   18   21   24   28   30   36   39   43   47   55   61   64   69   74   77 
LCS_GDT     R   153_A     R   153_A     15   19   43     10   12   14   17   17   18   19   23   27   30   36   39   43   47   55   61   64   69   74   77 
LCS_GDT     R   154_A     R   154_A     15   19   43     10   12   14   17   17   18   19   23   25   28   36   39   43   46   54   61   64   69   74   77 
LCS_GDT     I   155_A     I   155_A     15   19   43     10   12   14   17   17   18   19   23   25   28   32   37   43   46   51   56   62   69   74   77 
LCS_GDT     E   156_A     E   156_A     15   19   43     10   12   14   17   17   18   19   23   27   30   36   39   43   46   55   61   64   69   74   77 
LCS_GDT     A   157_A     A   157_A     15   19   43     10   12   14   17   17   18   19   23   25   28   36   39   43   46   54   61   64   69   74   77 
LCS_GDT     R   158_A     R   158_A     15   19   43     10   12   14   17   17   18   19   23   25   28   29   33   37   40   41   54   62   64   70   77 
LCS_GDT     R   159_A     R   159_A     15   19   43      8   12   14   17   17   18   19   23   25   28   31   37   39   40   41   54   62   64   68   77 
LCS_GDT     N   160_A     N   160_A      3   19   43      3    3    3    6   10   14   18   19   25   28   33   37   39   40   41   54   62   64   68   77 
LCS_GDT     S   161_A     S   161_A      3   19   43      3    3    3    4   10   14   17   23   27   29   33   37   39   40   43   54   62   64   69   77 
LCS_AVERAGE  LCS_A:  18.32  (   9.43   13.52   32.01 )

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     12     19     22     24     29     32     36     40     45     46     48     49     52     54     57     62     65     69     74     77 
GDT PERCENT_AT   7.95  12.58  14.57  15.89  19.21  21.19  23.84  26.49  29.80  30.46  31.79  32.45  34.44  35.76  37.75  41.06  43.05  45.70  49.01  50.99
GDT RMS_LOCAL    0.22   0.57   0.75   0.99   1.63   1.83   2.12   2.50   2.90   2.96   3.18   3.25   3.54   3.87   4.85   5.40   5.60   6.36   6.62   7.06
GDT RMS_ALL_AT  20.55  23.28  23.23  24.10  24.79  24.72  24.85  24.87  25.14  25.17  24.90  24.93  25.03  25.07  16.65  15.36  15.35  15.77  15.70  14.92

# Checking swapping
#   possible swapping detected:  E    14_A      E    14_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  D    76_A      D    76_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  D    82_A      D    82_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:  F   101_A      F   101_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  D   107_A      D   107_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    11_A      Q    11_A    22.779     0    0.489   1.416    23.927    0.000    0.000
LGA    A    12_A      A    12_A    21.148     0    0.402   0.383    21.989    0.000    0.000
LGA    V    13_A      V    13_A    14.227     0    0.269   1.183    16.777    0.000    0.000
LGA    E    14_A      E    14_A    18.005     0    0.147   1.148    26.111    0.000    0.000
LGA    D    15_A      D    15_A    18.339     0    0.009   0.915    23.027    0.000    0.000
LGA    F    16_A      F    16_A    11.749     0    0.059   1.370    14.055    0.000    0.736
LGA    L    17_A      L    17_A    11.487     0    0.042   0.421    13.635    0.000    0.000
LGA    R    18_A      R    18_A    15.831     0    0.083   1.103    23.357    0.000    0.000
LGA    V    19_A      V    19_A    13.605     0    0.060   1.329    15.413    0.000    0.000
LGA    H    20_A      H    20_A     6.523     0    0.073   1.083     9.145   14.524   26.476
LGA    S    21_A      S    21_A     9.103     0    0.037   0.705    12.814    2.619    1.746
LGA    E    22_A      E    22_A    11.779     0    0.025   0.168    20.123    0.238    0.106
LGA    L    23_A      L    23_A     8.115     0    0.000   1.360    12.041   12.619    6.964
LGA    V    24_A      V    24_A     1.382     0    0.058   0.791     4.995   67.738   59.592
LGA    H    25_A      H    25_A     6.233     0    0.050   1.021    12.915   24.048    9.762
LGA    R    26_A      R    26_A     7.380     0    0.066   1.499    18.993   16.548    6.061
LGA    L    27_A      L    27_A     5.292     0    0.068   0.087    10.470   30.595   18.690
LGA    A    28_A      A    28_A     2.953     0    0.063   0.060     4.524   56.786   52.857
LGA    G    29_A      G    29_A     1.039     0    0.295   0.295     1.179   85.952   85.952
LGA    D    30_A      D    30_A     0.943     0    0.108   0.164     2.395   85.952   79.464
LGA    P    31_A      P    31_A     2.350     0    0.016   0.187     2.979   62.976   61.565
LGA    P    32_A      P    32_A     4.264     0    0.632   0.588     6.496   33.929   36.463
LGA    D    33_A      D    33_A     5.835     0    0.606   1.013     8.361   31.905   19.940
LGA    E    34_A      E    34_A     4.714     0    0.058   0.295     7.253   27.619   21.217
LGA    L    35_A      L    35_A     8.477     0    0.063   1.237    14.969    7.976    3.988
LGA    F    36_A      F    36_A     6.538     0    0.001   1.352    10.130   23.810   11.255
LGA    Q    37_A      Q    37_A     1.058     0    0.641   1.358     6.930   55.000   46.455
LGA    R    38_A      R    38_A     5.689     0    0.183   1.400     9.313   26.905   12.121
LGA    L    39_A      L    39_A     6.741     0    0.062   1.415    11.980   20.714   11.488
LGA    D    40_A      D    40_A     3.028     0    0.045   0.693     4.801   64.048   50.774
LGA    R    41_A      R    41_A     2.727     0    0.036   1.043     8.987   55.833   26.364
LGA    F    42_A      F    42_A     5.756     0    0.054   1.121    10.936   28.929   12.554
LGA    V    43_A      V    43_A     4.485     0    0.066   0.214     7.254   45.357   32.857
LGA    T    44_A      T    44_A     1.791     0    0.056   1.279     5.176   72.976   59.728
LGA    D    45_A      D    45_A     3.894     0    0.050   0.118     7.962   48.690   31.250
LGA    A    46_A      A    46_A     4.610     0    0.062   0.058     6.218   42.024   37.048
LGA    I    47_A      I    47_A     2.850     0    0.081   1.011     7.674   64.881   44.583
LGA    I    48_A      I    48_A     2.913     0    0.031   0.942     8.661   59.286   37.262
LGA    E    49_A      E    49_A     5.105     0    0.140   0.679    12.470   33.214   16.402
LGA    G    50_A      G    50_A     4.167     0    0.620   0.620     4.672   40.476   40.476
LGA    N    51_A      N    51_A     1.219     0    0.225   1.173     3.346   85.952   75.536
LGA    P    52_A      P    52_A     1.159     0    0.611   0.546     3.217   73.571   68.844
LGA    E    53_A      E    53_A     1.399     0    0.442   0.734     4.620   71.071   60.635
LGA    R    54_A      R    54_A     1.865     0    0.246   1.186     8.763   70.952   44.719
LGA    R    55_A      R    55_A     2.818     0    0.062   0.672     5.897   57.143   37.879
LGA    D    56_A      D    56_A     2.745     0    0.109   0.564     5.308   65.000   52.083
LGA    E    57_A      E    57_A     1.139     0    0.041   0.819     2.590   81.548   76.984
LGA    I    58_A      I    58_A     1.465     0    0.043   0.765     4.514   79.286   69.881
LGA    K    59_A      K    59_A     2.294     0    0.103   0.717     5.899   70.833   51.217
LGA    A    60_A      A    60_A     1.872     0    0.120   0.119     2.538   77.143   73.143
LGA    D    61_A      D    61_A     1.074     0    0.067   0.332     1.319   83.690   82.560
LGA    L    62_A      L    62_A     1.420     0    0.038   0.455     3.533   81.429   72.500
LGA    A    63_A      A    63_A     0.973     0    0.020   0.034     1.409   85.952   86.857
LGA    R    64_A      R    64_A     1.612     0    0.073   1.374     7.596   75.000   53.680
LGA    A    65_A      A    65_A     1.962     0    0.117   0.119     2.216   72.857   71.238
LGA    A    66_A      A    66_A     1.329     0    0.111   0.113     1.538   79.286   79.714
LGA    R    67_A      R    67_A     1.392     0    0.011   1.379     3.651   77.143   64.935
LGA    V    68_A      V    68_A     1.843     0    0.044   0.168     2.264   70.833   70.544
LGA    F    69_A      F    69_A     2.176     0    0.077   0.220     3.981   68.810   57.013
LGA    G    70_A      G    70_A     1.647     0    0.050   0.050     2.030   70.833   70.833
LGA    E    71_A      E    71_A     2.541     0    0.070   0.776     3.217   59.048   56.455
LGA    A    72_A      A    72_A     3.116     0    0.000   0.031     3.568   50.119   50.095
LGA    L    73_A      L    73_A     3.358     0    0.063   0.769     4.454   48.333   47.560
LGA    E    74_A      E    74_A     3.457     0    0.186   0.781     4.892   42.143   50.582
LGA    R    75_A      R    75_A     4.517     0    0.568   1.487    13.797   34.524   16.494
LGA    D    76_A      D    76_A     8.077     0    0.566   1.430    10.930    4.405    2.202
LGA    I    77_A      I    77_A    10.549     0    0.092   0.658    13.587    0.714    0.357
LGA    T    78_A      T    78_A    13.463     0    0.165   1.125    16.564    0.000    0.000
LGA    T    79_A      T    79_A    19.770     0    0.080   0.091    22.718    0.000    0.000
LGA    P    80_A      P    80_A    20.936     0    0.246   0.400    23.498    0.000    0.000
LGA    E    81_A      E    81_A    24.652     0    0.086   1.143    28.481    0.000    0.000
LGA    D    82_A      D    82_A    19.813     0    0.049   1.063    21.020    0.000    0.000
LGA    F    83_A      F    83_A    16.567     0    0.065   1.375    18.599    0.000    0.000
LGA    N    84_A      N    84_A    23.096     0    0.039   1.273    27.876    0.000    0.000
LGA    A    85_A      A    85_A    25.689     0    0.087   0.085    26.326    0.000    0.000
LGA    F    86_A      F    86_A    20.225     0    0.058   1.436    21.599    0.000    0.000
LGA    L    87_A      L    87_A    19.660     0    0.164   0.161    22.542    0.000    0.000
LGA    R    88_A      R    88_A    27.060     0    0.454   1.196    31.059    0.000    0.000
LGA    E    89_A      E    89_A    25.065     0    0.499   1.208    30.368    0.000    0.000
LGA    L    90_A      L    90_A    21.425     0    0.441   1.159    23.533    0.000    0.000
LGA    G    91_A      G    91_A    26.635     0    0.171   0.171    26.635    0.000    0.000
LGA    P    92_A      P    92_A    28.643     0    0.145   0.516    32.234    0.000    0.000
LGA    E    93_A      E    93_A    25.029     0    0.049   1.152    26.279    0.000    0.000
LGA    A    94_A      A    94_A    20.444     0    0.084   0.084    22.018    0.000    0.000
LGA    V    95_A      V    95_A    25.285     0    0.036   0.134    29.416    0.000    0.000
LGA    E    96_A      E    96_A    26.396     0    0.044   1.321    30.911    0.000    0.000
LGA    L    97_A      L    97_A    20.710     0    0.031   0.786    22.477    0.000    0.000
LGA    V    98_A      V    98_A    21.166     0    0.571   1.363    22.687    0.000    0.000
LGA    S    99_A      S    99_A    26.449     0    0.074   0.614    28.927    0.000    0.000
LGA    T   100_A      T   100_A    23.448     0    0.411   0.939    24.065    0.000    0.000
LGA    F   101_A      F   101_A    19.110     0    0.062   1.263    20.952    0.000    0.000
LGA    T   102_A      T   102_A    24.639     0    0.104   0.881    28.989    0.000    0.000
LGA    Q   103_A      Q   103_A    25.697     0    0.070   1.172    32.191    0.000    0.000
LGA    Q   104_A      Q   104_A    19.073     0    0.059   1.047    21.137    0.000    0.000
LGA    F   105_A      F   105_A    19.705     0    0.047   1.505    22.060    0.000    0.000
LGA    V   106_A      V   106_A    26.573     0    0.071   0.795    30.556    0.000    0.000
LGA    D   107_A      D   107_A    24.855     0    0.075   1.076    25.481    0.000    0.000
LGA    V   108_A      V   108_A    20.828     0    0.053   0.187    23.681    0.000    0.000
LGA    I   109_A      I   109_A    26.127     0    0.024   0.595    29.770    0.000    0.000
LGA    R   110_A      R   110_A    31.459     0    0.072   1.471    35.807    0.000    0.000
LGA    G   111_A      G   111_A    28.825     0    0.724   0.724    29.280    0.000    0.000
LGA    D   112_A      D   112_A    30.594     0    0.127   1.190    31.310    0.000    0.000
LGA    P   113_A      P   113_A    34.377     0    0.079   0.172    37.784    0.000    0.000
LGA    Q   114_A      Q   114_A    36.849     0    0.054   1.351    45.197    0.000    0.000
LGA    A   115_A      A   115_A    30.150     0    0.000   0.024    32.354    0.000    0.000
LGA    V   116_A      V   116_A    29.900     0    0.038   1.113    31.819    0.000    0.000
LGA    A   117_A      A   117_A    36.143     0    0.051   0.074    38.583    0.000    0.000
LGA    E   118_A      E   118_A    33.134     0    0.114   1.075    35.546    0.000    0.000
LGA    H   119_A      H   119_A    28.102     0    0.064   0.588    29.754    0.000    0.000
LGA    L   120_A      L   120_A    32.836     0    0.175   0.915    34.997    0.000    0.000
LGA    N   121_A      N   121_A    36.957     0    0.543   0.918    40.014    0.000    0.000
LGA    I   122_A      I   122_A    38.025     0    0.625   1.421    38.117    0.000    0.000
LGA    S   123_A      S   123_A    38.064     0    0.399   0.460    38.064    0.000    0.000
LGA    L   124_A      L   124_A    40.270     0    0.110   0.292    46.172    0.000    0.000
LGA    E   125_A      E   125_A    38.847     0    0.654   1.412    41.547    0.000    0.000
LGA    D   126_A      D   126_A    32.343     0    0.256   1.111    34.497    0.000    0.000
LGA    V   127_A      V   127_A    33.756     0    0.067   0.886    35.248    0.000    0.000
LGA    A   128_A      A   128_A    35.412     0    0.109   0.106    36.337    0.000    0.000
LGA    R   129_A      R   129_A    31.760     0    0.186   1.715    33.114    0.000    0.000
LGA    L   130_A      L   130_A    28.525     0    0.037   1.025    30.051    0.000    0.000
LGA    A   131_A      A   131_A    32.433     0    0.000   0.033    34.553    0.000    0.000
LGA    E   132_A      E   132_A    35.557     0    0.070   0.974    41.382    0.000    0.000
LGA    A   133_A      A   133_A    30.234     0    0.086   0.083    31.834    0.000    0.000
LGA    G   134_A      G   134_A    28.762     0    0.079   0.079    30.905    0.000    0.000
LGA    E   135_A      E   135_A    35.053     0    0.026   0.953    40.733    0.000    0.000
LGA    A   136_A      A   136_A    36.066     0    0.073   0.072    36.439    0.000    0.000
LGA    A   137_A      A   137_A    31.759     0    0.041   0.048    33.479    0.000    0.000
LGA    I   138_A      I   138_A    34.020     0    0.075   0.626    37.684    0.000    0.000
LGA    E   139_A      E   139_A    40.685     0    0.083   0.953    45.630    0.000    0.000
LGA    R   140_A      R   140_A    40.355     0    0.287   1.114    42.043    0.000    0.000
LGA    G   141_A      G   141_A    38.817     0    0.340   0.340    39.935    0.000    0.000
LGA    E   142_A      E   142_A    39.183     0    0.652   1.191    45.220    0.000    0.000
LGA    G   143_A      G   143_A    37.439     0    0.641   0.641    38.237    0.000    0.000
LGA    A   144_A      A   144_A    33.084     0    0.093   0.089    34.073    0.000    0.000
LGA    S   145_A      S   145_A    30.583     0    0.054   0.068    32.505    0.000    0.000
LGA    L   146_A      L   146_A    36.482     0    0.593   0.757    42.394    0.000    0.000
LGA    G   147_A      G   147_A    37.551     0    0.079   0.079    37.551    0.000    0.000
LGA    V   148_A      V   148_A    32.506     0    0.074   0.138    33.913    0.000    0.000
LGA    H   149_A      H   149_A    33.844     0    0.036   0.923    36.645    0.000    0.000
LGA    R   150_A      R   150_A    40.004     0    0.044   1.075    47.356    0.000    0.000
LGA    E   151_A      E   151_A    38.892     0    0.051   1.030    41.621    0.000    0.000
LGA    L   152_A      L   152_A    36.649     0    0.076   0.967    39.451    0.000    0.000
LGA    R   153_A      R   153_A    41.955     0    0.044   1.123    45.169    0.000    0.000
LGA    R   154_A      R   154_A    45.819     0    0.024   0.912    48.955    0.000    0.000
LGA    I   155_A      I   155_A    42.958     0    0.050   1.393    45.267    0.000    0.000
LGA    E   156_A      E   156_A    44.107     0    0.036   1.178    48.012    0.000    0.000
LGA    A   157_A      A   157_A    50.227     0    0.057   0.056    53.239    0.000    0.000
LGA    R   158_A      R   158_A    51.737     0    0.467   1.306    56.785    0.000    0.000
LGA    R   159_A      R   159_A    49.985     0    0.516   1.455    56.635    0.000    0.000
LGA    N   160_A      N   160_A    49.264     0    0.069   1.173    53.344    0.000    0.000
LGA    S   161_A      S   161_A    54.964     0    0.131   0.773    56.816    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):    12.952         12.863                 13.932           19.747   16.601

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  164  151    4.0     40    2.50    24.007    21.789     1.538

LGA_LOCAL      RMSD:   2.501  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.874  Number of assigned atoms:  151 
Std_ASGN_ATOMS RMSD:  12.952  Standard rmsd on all 151 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.582031 * X  +  -0.667185 * Y  +   0.464869 * Z  + -88.058197
  Y_new =  -0.591563 * X  +  -0.739648 * Y  +  -0.320895 * Z  + 308.738861
  Z_new =   0.557936 * X  +  -0.088229 * Y  +  -0.825181 * Z  +  24.176441 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.793520 -0.591896 -3.035077   [DEG:  -45.4653  -33.9132 -173.8971 ]
ZXZ:  0.966617  2.541318  1.727632   [DEG:   55.3831  145.6068   98.9860 ]
 
# END of job
