
#######################################################
#                                                     #
#                        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  142 ( 1166),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , 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:    71       3_A - 73_A        4.94    15.06
  LCS_AVERAGE:     38.20

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      20_A - 45_A        2.00    17.10
  LCS_AVERAGE:     11.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      24_A - 39_A        0.88    17.29
  LONGEST_CONTINUOUS_SEGMENT:    16     119_A - 134_A       0.83    25.91
  LCS_AVERAGE:      6.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     D     3_A     D     3_A      3   10   71      1    3   14   27   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     V     4_A     V     4_A      6   10   71      4   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     D     5_A     D     5_A      6   10   71      4   13   22   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     K     6_A     K     6_A      6   10   71      8   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     R     7_A     R     7_A      6   10   71      4   13   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     K     8_A     K     8_A      6   10   71      3    9   16   24   30   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     I     9_A     I     9_A      6   10   71      3    5    6    8   10   15   28   38   51   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     K    10_A     K    10_A      5   10   71      3    4    5    8   10   21   30   41   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     I    11_A     I    11_A      5   10   71      4    4    7   15   18   20   21   24   24   27   30   39   46   50   59   72   75   78   82   83 
LCS_GDT     I    12_A     I    12_A      4   10   71      4    4    7   15   18   20   21   24   25   33   42   63   65   66   72   77   79   81   84   85 
LCS_GDT     L    13_A     L    13_A      4   11   71      4    4    4    5    7   12   21   21   24   38   42   51   65   66   69   72   79   81   84   85 
LCS_GDT     N    14_A     N    14_A      4   11   71      4    4    5   10   19   22   26   32   38   51   56   63   65   71   75   77   79   81   84   85 
LCS_GDT     G    15_A     G    15_A      3   11   71      3    3    5   19   23   27   33   42   52   57   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     E    16_A     E    16_A      3   11   71      4    6   12   19   25   35   40   48   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     M    17_A     M    17_A      7   23   71      0    6   18   27   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     E    18_A     E    18_A      7   24   71      3   11   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     E    19_A     E    19_A      7   24   71      3    7   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     A    20_A     A    20_A      7   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     E    21_A     E    21_A      7   26   71      4   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     L    22_A     L    22_A      8   26   71      3   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     H    23_A     H    23_A      8   26   71      4    7   11   20   29   33   40   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     M    24_A     M    24_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     I    25_A     I    25_A     16   26   71      3   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     T    26_A     T    26_A     16   26   71      3   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     S    27_A     S    27_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     P    28_A     P    28_A     16   26   71      6   15   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     N    29_A     N    29_A     16   26   71      3    9   21   26   31   37   43   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     R    30_A     R    30_A     16   26   71      3   13   22   28   31   37   43   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     H    31_A     H    31_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     C    32_A     C    32_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     C    33_A     C    33_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     L    34_A     L    34_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     K    35_A     K    35_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     I    36_A     I    36_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     F    37_A     F    37_A     16   26   71     10   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     H    38_A     H    38_A     16   26   71      3   16   22   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     N    39_A     N    39_A     16   26   71      6   13   21   26   30   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     N    40_A     N    40_A      3   26   71      3    3    5    6   10   15   21   29   39   48   57   63   67   72   75   77   79   81   84   85 
LCS_GDT     N    41_A     N    41_A      4   26   71      3    4   13   23   29   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     Q    42_A     Q    42_A      4   26   71      3    4   12   19   24   35   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     L    43_A     L    43_A      6   26   71      3   15   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     A    44_A     A    44_A      6   26   71      6   16   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     E    45_A     E    45_A      6   26   71      4    4   10   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     S    46_A     S    46_A      6   25   71      4    4   20   26   31   37   42   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     N    47_A     N    47_A      6   25   71      4   14   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     D    48_A     D    48_A      6   25   71      4    4   23   28   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     T    49_A     T    49_A     14   22   71      1    6   16   21   28   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     D    50_A     D    50_A     14   22   71      3    5   16   21   30   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     Y    51_A     Y    51_A     14   22   71      6   12   16   27   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     F    52_A     F    52_A     14   22   71      6   12   16   27   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     S    53_A     S    53_A     14   22   71      6   12   16   21   28   37   43   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     C    54_A     C    54_A     14   22   71      6   12   16   21   29   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     F    55_A     F    55_A     14   22   71      6   12   16   25   31   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     A    56_A     A    56_A     14   22   71      6   12   16   21   29   37   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     D    57_A     D    57_A     14   22   71      6   12   16   21   25   33   41   48   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     L    58_A     L    58_A     14   22   71      6   12   16   21   25   35   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     R    59_A     R    59_A     14   22   71      6   12   16   21   25   35   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     N    60_A     N    60_A     14   22   71      6   12   15   21   24   31   40   48   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     Q    61_A     Q    61_A     14   22   71      6   12   15   21   23   30   36   45   53   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     L    62_A     L    62_A     14   22   71      5   12   16   21   23   31   39   45   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     K    63_A     K    63_A     14   22   71      3    3   11   19   23   27   36   42   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     N    64_A     N    64_A     14   22   71      3    5   12   18   23   27   32   44   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     I    65_A     I    65_A      5   22   71      3    4   11   17   22   27   33   44   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     I    66_A     I    66_A      5   22   71      3   11   15   19   23   27   36   44   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     F    67_A     F    67_A      5   22   71      3   11   15   19   23   28   36   45   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     L    68_A     L    68_A      5   22   71      3   11   15   19   23   27   31   43   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     C    69_A     C    69_A      5   22   71      3    9   15   19   23   27   35   44   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     K    70_A     K    70_A      5   22   71      3    3    6   12   21   26   30   37   48   57   62   68   72   74   75   78   79   81   84   85 
LCS_GDT     G    71_A     G    71_A      3    8   71      2    4   10   11   15   19   25   34   39   53   59   64   69   72   75   78   79   81   84   85 
LCS_GDT     A    72_A     A    72_A      3    7   71      0    3    3    6    8   12   14   17   19   20   22   30   34   45   51   55   69   71   73   80 
LCS_GDT     K    73_A     K    73_A      3    7   71      0    3    4    5    8   11   14   17   19   20   21   27   34   39   41   45   54   62   66   70 
LCS_GDT     I    74_A     I    74_A      3    7   45      3    4    5    6    8   12   14   17   19   20   21   27   30   34   41   45   54   62   64   69 
LCS_GDT     N    75_A     N    75_A      3    7   30      3    4    5    6    8   12   12   17   19   20   23   28   35   39   48   52   57   63   69   77 
LCS_GDT     V    76_A     V    76_A      3    7   30      3    4    5    9   10   18   21   26   31   35   43   49   61   66   71   75   79   81   84   85 
LCS_GDT     Y    77_A     Y    77_A      3    7   30      3    3    5    7   18   22   30   38   50   57   63   69   72   74   75   78   79   81   84   85 
LCS_GDT     P    78_A     P    78_A      3    5   30      3    4   12   19   24   36   44   49   54   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     S    79_A     S    79_A      3    5   23      3    3    5    5    8   12   14   17   37   43   56   64   71   74   74   78   79   81   84   85 
LCS_GDT     A    80_A     A    80_A      4    5   23      3    4    5    6    8   12   14   17   19   20   21   22   27   60   63   69   72   77   80   82 
LCS_GDT     M    81_A     M    81_A      4    5   23      3    4    5    6    8   12   14   17   19   20   21   22   24   25   27   31   36   41   43   46 
LCS_GDT     S    82_A     S    82_A      4    5   23      3    4    5    6    8   12   14   17   19   20   21   22   24   25   27   31   36   41   65   65 
LCS_GDT     R    83_A     R    83_A      4    5   23      3    4    4    6    8   12   12   17   19   20   21   22   24   31   36   49   55   60   61   62 
LCS_GDT     D    84_A     D    84_A      6    6   23      3    4    6    6    7   10   14   17   19   20   21   22   24   26   36   40   55   60   61   62 
LCS_GDT     M    85_A     M    85_A      6    6   23      3    5    6    6    6    7    8   10   14   15   20   22   22   25   26   31   36   41   48   51 
LCS_GDT     S    86_A     S    86_A      6    6   23      4    5    6    6    6    7    8   10   31   35   41   44   60   62   66   69   73   77   79   82 
LCS_GDT     D    87_A     D    87_A      6    6   23      4    5    6    6    6    7    8   12   17   20   21   22   24   34   42   49   55   70   74   81 
LCS_GDT     G    88_A     G    88_A      6    6   23      4    5    6    6   14   15   17   18   21   45   54   59   67   70   73   76   79   81   84   85 
LCS_GDT     I    89_A     I    89_A      6    6   23      4    5    7   10   14   24   34   43   47   56   63   70   72   74   75   78   79   81   84   85 
LCS_GDT     V    90_A     V    90_A      3    4   23      3    3    4   12   17   26   34   43   50   58   63   70   72   74   75   78   79   81   84   85 
LCS_GDT     A    91_A     A    91_A      3    4   23      0    3    4    4   12   16   22   36   48   56   64   69   72   74   75   78   79   81   84   85 
LCS_GDT     Y    92_A     Y    92_A      3    4   23      3    3    4    9   18   26   35   47   52   58   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     E    93_A     E    93_A      3    5   19      3    3    4    5   14   22   33   43   50   57   64   70   72   74   75   78   79   81   84   85 
LCS_GDT     T    94_A     T    94_A      4    5   19      4    4    5    9   13   15   17   18   26   37   49   58   64   69   73   78   79   81   84   85 
LCS_GDT     T    95_A     T    95_A      4    5   19      4    4    4    5    9   14   17   18   27   32   36   45   55   64   69   72   78   81   83   85 
LCS_GDT     L    96_A     L    96_A      4    5   19      4    4    4    5    6    6   11   14   17   19   25   33   35   38   50   57   63   69   74   79 
LCS_GDT     G    97_A     G    97_A      4    5   19      4    4    4    5    6    6    9    9   10   10   12   16   20   27   31   32   39   45   54   57 
LCS_GDT     Q    98_A     Q    98_A      3    7   19      3    3    3    4    5    7    9   10   11   12   15   24   28   29   34   37   39   45   54   60 
LCS_GDT     P    99_A     P    99_A      4    7   19      3    3    4    6    8    9    9   11   14   17   19   24   28   29   31   32   34   40   54   55 
LCS_GDT     G   100_A     G   100_A      5    7   19      5    5    5    6    8    9   11   13   15   17   19   24   28   29   31   37   40   45   54   64 
LCS_GDT     L   101_A     L   101_A      5    7   19      5    5    5    6    8   11   12   13   15   17   19   24   28   35   41   53   62   70   76   80 
LCS_GDT     P   102_A     P   102_A      5    7   19      5    5    5    6    8    9   11   12   15   17   21   25   28   42   47   55   58   62   73   84 
LCS_GDT     E   103_A     E   103_A      5    7   19      5    5    5    6    8    9   12   13   15   17   21   33   35   42   47   69   74   79   82   84 
LCS_GDT     N   104_A     N   104_A      5    7   19      5    5    5    6    8   11   12   13   15   17   19   25   32   38   48   56   67   74   80   84 
LCS_GDT     Q   105_A     Q   105_A      4    5   30      3    4    4    5    7    9   12   13   19   23   27   34   43   55   66   70   74   81   83   85 
LCS_GDT     V   106_A     V   106_A      4    5   30      3    4    4    5    8   15   17   24   24   28   42   48   59   68   71   78   79   81   84   85 
LCS_GDT     H   107_A     H   107_A      4    5   30      3    4    4    5    6   10   17   23   35   46   61   70   72   74   75   78   79   81   84   85 
LCS_GDT     I   108_A     I   108_A      4    6   30      3    4    4    9   11   13   38   45   51   58   62   70   72   74   75   78   79   81   84   85 
LCS_GDT     F   109_A     F   109_A      4    6   30      3    4   10   20   31   37   44   49   54   58   63   70   72   74   75   78   79   81   84   85 
LCS_GDT     D   110_A     D   110_A      4    6   30      3    4    6   12   26   33   37   45   49   55   57   60   62   65   69   74   77   79   80   83 
LCS_GDT     F   111_A     F   111_A      4    6   30      3    4    5   10   26   33   39   45   49   55   57   60   62   65   68   74   77   79   80   83 
LCS_GDT     E   112_A     E   112_A      4    6   30      3    4    8   16   26   33   37   45   49   55   57   58   62   65   69   74   77   79   80   83 
LCS_GDT     D   113_A     D   113_A      3    6   30      3    3    4    5    6   14   18   23   45   49   53   58   62   65   69   74   77   79   81   84 
LCS_GDT     K   114_A     K   114_A      3    7   30      3    3    4    9   11   15   21   23   27   30   32   34   36   38   45   61   69   75   81   84 
LCS_GDT     Y   115_A     Y   115_A      3    7   30      3    3    4    7   15   18   21   24   27   30   32   34   36   41   45   59   67   75   80   84 
LCS_GDT     V   116_A     V   116_A      3    7   30      0    3    5    9   15   18   21   24   27   31   39   48   58   64   71   78   78   81   84   85 
LCS_GDT     D   117_A     D   117_A      4   18   30      0    4    6   15   18   20   21   24   24   27   32   35   41   46   50   59   66   71   77   82 
LCS_GDT     I   118_A     I   118_A      4   18   30      0    4    5   15   17   19   21   24   27   30   32   34   36   38   39   41   43   47   54   60 
LCS_GDT     T   119_A     T   119_A     16   18   30      3    4   16   16   16   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     P   120_A     P   120_A     16   18   30      8   13   16   16   18   20   21   24   26   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     E   121_A     E   121_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     E   122_A     E   122_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     Q   123_A     Q   123_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     R   124_A     R   124_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     K   125_A     K   125_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     F   126_A     F   126_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     H   127_A     H   127_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     S   128_A     S   128_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     Q   129_A     Q   129_A     16   18   30      4   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     W   130_A     W   130_A     16   18   30      4    4   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     F   131_A     F   131_A     16   18   30      8   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   47 
LCS_GDT     E   132_A     E   132_A     16   18   30      9   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     S   133_A     S   133_A     16   18   30      4   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_GDT     L   134_A     L   134_A     16   18   30      3   13   16   16   18   20   21   24   27   30   32   34   36   38   39   41   43   44   45   48 
LCS_AVERAGE  LCS_A:  18.80  (   6.44   11.75   38.20 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     10     16     23     28     31     37     44     49     54     58     64     70     72     74     75     78     79     81     84     85 
GDT PERCENT_AT   7.58  12.12  17.42  21.21  23.48  28.03  33.33  37.12  40.91  43.94  48.48  53.03  54.55  56.06  56.82  59.09  59.85  61.36  63.64  64.39
GDT RMS_LOCAL    0.33   0.58   1.02   1.20   1.38   1.88   2.41   2.57   2.93   3.17   3.63   3.88   3.98   4.13   4.21   4.64   4.61   4.81   5.12   5.30
GDT RMS_ALL_AT  16.38  16.37  16.37  16.24  16.37  16.41  15.98  16.02  15.70  15.49  15.13  15.16  15.06  15.01  14.99  14.78  15.03  14.91  14.81  14.71

# Checking swapping
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  Y    77_A      Y    77_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  F   126_A      F   126_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.987     3    0.607   0.600     3.219   69.286   41.786
LGA    V     4_A      V     4_A     0.967     0    0.200   1.093     3.366   77.381   73.401
LGA    D     5_A      D     5_A     1.962     0    0.161   0.912     5.373   81.548   64.702
LGA    K     6_A      K     6_A     0.440     0    0.119   1.661     6.398   90.595   70.370
LGA    R     7_A      R     7_A     1.369     0    0.143   1.520     7.948   79.405   53.290
LGA    K     8_A      K     8_A     2.459     0    0.166   1.796     5.507   51.548   55.450
LGA    I     9_A      I     9_A     7.734     0    0.605   1.199    14.097    7.976    5.060
LGA    K    10_A      K    10_A     8.786     0    0.517   1.149    12.402    1.905    1.429
LGA    I    11_A      I    11_A    14.487     0    0.574   0.546    17.535    0.000    0.000
LGA    I    12_A      I    12_A    14.004     0    0.100   1.429    14.281    0.000    0.000
LGA    L    13_A      L    13_A    14.466     0    0.116   1.171    17.726    0.000    0.000
LGA    N    14_A      N    14_A    14.153     0    0.445   0.702    15.916    0.000    0.000
LGA    G    15_A      G    15_A    11.652     0    0.710   0.710    12.308    3.214    3.214
LGA    E    16_A      E    16_A     5.949     0    0.331   1.041     8.359   25.119   35.450
LGA    M    17_A      M    17_A     2.539     0    0.151   1.461     7.547   55.595   47.202
LGA    E    18_A      E    18_A     2.304     0    0.070   0.277     3.664   68.810   62.487
LGA    E    19_A      E    19_A     2.235     0    0.118   0.675     5.093   60.952   50.265
LGA    A    20_A      A    20_A     1.705     0    0.110   0.146     2.147   70.833   71.238
LGA    E    21_A      E    21_A     1.408     0    0.067   1.251     5.646   79.286   59.312
LGA    L    22_A      L    22_A     1.489     0    0.125   0.826     3.966   73.095   71.429
LGA    H    23_A      H    23_A     3.863     0    0.328   0.992    10.811   53.810   25.905
LGA    M    24_A      M    24_A     1.008     0    0.318   0.609     5.336   83.810   65.060
LGA    I    25_A      I    25_A     1.872     0    0.229   1.284     5.551   70.833   61.012
LGA    T    26_A      T    26_A     1.839     0    0.039   1.241     4.695   72.857   63.537
LGA    S    27_A      S    27_A     1.310     0    0.040   0.076     2.163   75.119   77.222
LGA    P    28_A      P    28_A     2.614     0    0.650   0.589     4.434   54.286   57.755
LGA    N    29_A      N    29_A     3.441     0    0.101   0.811     5.695   51.786   44.881
LGA    R    30_A      R    30_A     3.440     0    0.031   0.799     5.640   51.786   38.571
LGA    H    31_A      H    31_A     1.596     0    0.249   1.238     7.505   72.857   48.095
LGA    C    32_A      C    32_A     1.756     0    0.162   0.201     2.176   70.833   71.508
LGA    C    33_A      C    33_A     1.305     0    0.086   0.589     2.939   81.429   78.889
LGA    L    34_A      L    34_A     1.436     0    0.052   0.933     5.472   79.286   65.655
LGA    K    35_A      K    35_A     1.423     0    0.056   0.629     2.455   79.286   73.016
LGA    I    36_A      I    36_A     1.562     0    0.118   1.039     3.290   75.000   68.214
LGA    F    37_A      F    37_A     1.447     0    0.054   0.361     1.766   77.143   79.957
LGA    H    38_A      H    38_A     2.370     0    0.118   1.111     4.472   68.810   56.476
LGA    N    39_A      N    39_A     3.662     0    0.395   1.270     4.820   41.905   43.690
LGA    N    40_A      N    40_A     7.536     0    0.303   1.050    13.895   10.595    5.298
LGA    N    41_A      N    41_A     3.214     0    0.361   1.292     4.518   41.905   43.869
LGA    Q    42_A      Q    42_A     4.179     0    0.099   1.005    11.841   49.286   23.968
LGA    L    43_A      L    43_A     2.512     0    0.663   0.827     8.864   67.024   41.429
LGA    A    44_A      A    44_A     1.864     0    0.087   0.139     2.496   66.786   66.381
LGA    E    45_A      E    45_A     2.670     0    0.033   0.710     5.786   64.881   47.672
LGA    S    46_A      S    46_A     3.274     0    0.047   0.587     7.261   52.024   39.921
LGA    N    47_A      N    47_A     0.407     0    0.088   1.338     5.999   78.214   57.083
LGA    D    48_A      D    48_A     2.192     0    0.487   1.126     6.940   79.762   51.429
LGA    T    49_A      T    49_A     3.646     0    0.712   0.946     6.875   50.357   36.190
LGA    D    50_A      D    50_A     3.417     0    0.628   1.438     4.888   57.381   50.774
LGA    Y    51_A      Y    51_A     2.537     0    0.076   1.172     7.191   61.190   45.754
LGA    F    52_A      F    52_A     2.163     0    0.101   1.516     4.305   62.857   58.528
LGA    S    53_A      S    53_A     3.795     0    0.045   0.659     4.899   45.000   40.476
LGA    C    54_A      C    54_A     3.214     0    0.039   0.748     5.268   51.786   48.413
LGA    F    55_A      F    55_A     2.019     0    0.087   1.122     6.010   60.952   53.420
LGA    A    56_A      A    56_A     3.326     0    0.061   0.065     4.555   43.929   45.143
LGA    D    57_A      D    57_A     5.001     0    0.038   0.859     5.744   30.238   29.048
LGA    L    58_A      L    58_A     4.122     0    0.050   0.981     4.798   35.714   45.774
LGA    R    59_A      R    59_A     4.281     0    0.042   1.134     9.222   32.024   28.268
LGA    N    60_A      N    60_A     6.359     0    0.074   0.907     8.078   14.524   12.440
LGA    Q    61_A      Q    61_A     7.022     0    0.137   1.144     9.468   10.119    8.677
LGA    L    62_A      L    62_A     6.298     0    0.424   1.130     6.618   17.262   20.595
LGA    K    63_A      K    63_A     9.088     0    0.562   0.831    18.323    4.048    1.799
LGA    N    64_A      N    64_A     9.948     0    0.582   0.491    13.160    0.714    0.357
LGA    I    65_A      I    65_A     9.347     0    0.326   1.380    12.279    1.548    1.726
LGA    I    66_A      I    66_A     8.477     0    0.077   1.171    12.574    6.190    3.512
LGA    F    67_A      F    67_A     6.139     0    0.206   0.432     7.453   13.452   24.069
LGA    L    68_A      L    68_A     8.096     0    0.560   0.779    12.019    9.524    4.940
LGA    C    69_A      C    69_A     7.581     0    0.032   0.856    10.710    3.333    9.365
LGA    K    70_A      K    70_A    10.714     0    0.638   0.956    12.490    0.357    0.159
LGA    G    71_A      G    71_A    11.360     0    0.693   0.693    14.858    0.000    0.000
LGA    A    72_A      A    72_A    16.429     0    0.704   0.638    17.566    0.000    0.000
LGA    K    73_A      K    73_A    19.279     0    0.614   1.149    24.699    0.000    0.000
LGA    I    74_A      I    74_A    19.806     0    0.498   1.402    25.716    0.000    0.000
LGA    N    75_A      N    75_A    16.199     0    0.235   1.165    20.315    0.000    0.000
LGA    V    76_A      V    76_A    11.543     0    0.633   1.277    13.513    0.119    0.068
LGA    Y    77_A      Y    77_A     9.139     0    0.640   0.999    14.503    9.167    3.056
LGA    P    78_A      P    78_A     3.291     0    0.102   0.164     6.236   31.190   37.483
LGA    S    79_A      S    79_A     7.863     0    0.046   0.665    11.231    7.857    5.238
LGA    A    80_A      A    80_A    13.268     0    0.606   0.595    15.200    0.000    0.000
LGA    M    81_A      M    81_A    18.312     0    0.181   0.623    22.942    0.000    0.000
LGA    S    82_A      S    82_A    16.689     0    0.292   0.552    17.797    0.000    0.000
LGA    R    83_A      R    83_A    16.814     0    0.141   0.238    21.609    0.000    0.000
LGA    D    84_A      D    84_A    17.140     0    0.591   1.051    19.973    0.000    0.000
LGA    M    85_A      M    85_A    16.977     0    0.192   0.912    20.743    0.000    0.000
LGA    S    86_A      S    86_A    10.734     0    0.170   0.755    12.567    0.119    2.540
LGA    D    87_A      D    87_A    13.573     0    0.092   0.740    19.266    0.000    0.000
LGA    G    88_A      G    88_A     8.779     0    0.723   0.723    10.240   10.595   10.595
LGA    I    89_A      I    89_A     5.227     0    0.726   0.897     6.935   25.595   21.964
LGA    V    90_A      V    90_A     6.308     0    0.628   1.220    10.100   12.619   10.680
LGA    A    91_A      A    91_A     9.191     0    0.590   0.595    10.002    4.762    3.810
LGA    Y    92_A      Y    92_A     7.646     0    0.580   0.676    10.153    3.690   14.206
LGA    E    93_A      E    93_A     9.358     0    0.569   1.391    12.548    1.548    8.730
LGA    T    94_A      T    94_A    16.626     0    0.246   1.054    19.992    0.000    0.000
LGA    T    95_A      T    95_A    20.953     0    0.196   1.088    23.030    0.000    0.000
LGA    L    96_A      L    96_A    25.215     0    0.072   0.110    29.143    0.000    0.000
LGA    G    97_A      G    97_A    29.256     0    0.607   0.607    29.256    0.000    0.000
LGA    Q    98_A      Q    98_A    27.421     0    0.262   1.092    31.168    0.000    0.000
LGA    P    99_A      P    99_A    27.719     0    0.062   0.401    28.606    0.000    0.000
LGA    G   100_A      G   100_A    26.828     0    0.594   0.594    27.069    0.000    0.000
LGA    L   101_A      L   101_A    23.140     0    0.059   1.396    24.026    0.000    0.000
LGA    P   102_A      P   102_A    21.591     0    0.090   0.138    22.857    0.000    0.000
LGA    E   103_A      E   103_A    18.434     0    0.727   1.092    21.303    0.000    0.000
LGA    N   104_A      N   104_A    20.010     0    0.647   1.223    25.712    0.000    0.000
LGA    Q   105_A      Q   105_A    16.497     0    0.274   0.662    22.329    0.000    0.000
LGA    V   106_A      V   106_A    11.345     0    0.144   1.303    14.128    0.357    0.204
LGA    H   107_A      H   107_A     5.635     0    0.093   1.146     7.553   15.833   25.762
LGA    I   108_A      I   108_A     4.644     0    0.083   1.144     7.593   41.190   29.107
LGA    F   109_A      F   109_A     3.080     0    0.566   1.295    11.629   42.143   21.126
LGA    D   110_A      D   110_A     6.912     0    0.165   1.097    12.502   23.333   11.845
LGA    F   111_A      F   111_A     6.643     0    0.082   1.342     8.691    9.048   12.078
LGA    E   112_A      E   112_A     7.119     0    0.491   1.340    11.003   14.405    8.201
LGA    D   113_A      D   113_A     7.014     0    0.534   1.071    12.655    8.690    4.940
LGA    K   114_A      K   114_A    12.344     0    0.098   1.070    17.330    0.000    0.000
LGA    Y   115_A      Y   115_A    15.495     0    0.639   0.513    21.163    0.000    0.000
LGA    V   116_A      V   116_A    14.903     0    0.645   1.438    16.015    0.000    0.000
LGA    D   117_A      D   117_A    19.499     0    0.082   1.256    23.961    0.000    0.000
LGA    I   118_A      I   118_A    24.924     0    0.169   1.279    27.884    0.000    0.000
LGA    T   119_A      T   119_A    27.410     0    0.531   0.598    32.015    0.000    0.000
LGA    P   120_A      P   120_A    29.343     0    0.165   0.405    30.368    0.000    0.000
LGA    E   121_A      E   121_A    31.233     0    0.058   0.819    36.075    0.000    0.000
LGA    E   122_A      E   122_A    28.631     0    0.027   0.857    29.224    0.000    0.000
LGA    Q   123_A      Q   123_A    28.145     0    0.042   0.485    29.951    0.000    0.000
LGA    R   124_A      R   124_A    32.352     0    0.048   1.558    34.299    0.000    0.000
LGA    K   125_A      K   125_A    33.023     0    0.033   1.311    37.339    0.000    0.000
LGA    F   126_A      F   126_A    30.946     0    0.075   0.278    32.666    0.000    0.000
LGA    H   127_A      H   127_A    33.215     0    0.054   1.147    36.086    0.000    0.000
LGA    S   128_A      S   128_A    36.737     0    0.080   0.250    37.955    0.000    0.000
LGA    Q   129_A      Q   129_A    35.903     0    0.628   1.181    37.967    0.000    0.000
LGA    W   130_A      W   130_A    34.957     0    0.037   0.133    37.867    0.000    0.000
LGA    F   131_A      F   131_A    38.652     0    0.050   0.249    43.053    0.000    0.000
LGA    E   132_A      E   132_A    42.110     0    0.097   1.227    44.096    0.000    0.000
LGA    S   133_A      S   133_A    41.251     0    0.170   0.742    43.787    0.000    0.000
LGA    L   134_A      L   134_A    43.373     0    0.240   1.439    46.458    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):    13.648         13.728                 14.500           26.080   22.452

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     49    2.57    32.386    28.517     1.838

LGA_LOCAL      RMSD:   2.566  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.018  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  13.648  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.014402 * X  +   0.123312 * Y  +  -0.992263 * Z  + -16.604843
  Y_new =   0.948357 * X  +   0.316175 * Y  +   0.025527 * Z  + -13.825596
  Z_new =   0.316877 * X  +  -0.940653 * Y  +  -0.121497 * Z  +  -7.664082 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.585981 -0.322435 -1.699248   [DEG:   90.8700  -18.4742  -97.3597 ]
ZXZ: -1.596517  1.692594  2.816663   [DEG:  -91.4737   96.9785  161.3829 ]
 
# END of job
