
#######################################################
#                                                     #
#                        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 ( 1210),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      79_C - 138_C       4.91    17.29
  LCS_AVERAGE:     39.49

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      10_C - 50_C        1.99    16.33
  LONGEST_CONTINUOUS_SEGMENT:    35      11_C - 51_C        1.99    16.40
  LCS_AVERAGE:     20.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      84_C - 113_C       0.88    12.00
  LCS_AVERAGE:     14.52

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     P     2_B     P     2_C     25   29   50      3    4   20   28   37   40   42   46   47   50   54   58   64   70   73   76   79   82   84   86 
LCS_GDT     I     3_B     I     3_C     25   30   50      7   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     Q     4_B     Q     4_C     25   30   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E     5_B     E     5_C     25   30   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E     6_B     E     6_C     25   30   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     I     7_B     I     7_C     25   30   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     Q     8_B     Q     8_C     25   30   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     K     9_B     K     9_C     25   30   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     K    10_B     K    10_C     25   35   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     V    11_B     V    11_C     25   35   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     R    12_B     R    12_C     25   35   50      7   18   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    13_B     E    13_C     25   35   50      9   18   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     L    14_B     L    14_C     25   35   50      3   16   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     L    15_B     L    15_C     25   35   50      9   20   25   27   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    16_B     E    16_C     25   35   50      9   20   25   28   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     K    17_B     K    17_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     L    18_B     L    18_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     I    19_B     I    19_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    20_B     E    20_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     Y    21_B     Y    21_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     L    22_B     L    22_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    23_B     E    23_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    24_B     E    24_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   63   69   73   75   79   82   84   86 
LCS_GDT     L    25_B     L    25_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   63   70   73   75   79   82   84   86 
LCS_GDT     K    26_B     K    26_C     25   35   50      9   20   25   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    27_B     E    27_C     25   35   50      4    5    9   19   29   36   45   49   50   54   55   58   60   63   65   71   75   79   81   85 
LCS_GDT     K    34_B     K    34_C     19   35   50      8   16   18   27   33   40   45   49   50   54   55   58   63   70   73   76   79   82   84   86 
LCS_GDT     E    35_B     E    35_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     K    36_B     K    36_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   61   66   72   74   79   82   84   86 
LCS_GDT     L    37_B     L    37_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    38_B     E    38_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    39_B     E    39_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   62   69   73   76   79   82   84   86 
LCS_GDT     V    40_B     V    40_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   62   70   73   76   79   82   84   86 
LCS_GDT     I    41_B     I    41_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    42_B     E    42_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     G    43_B     G    43_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   61   66   72   75   79   82   84   86 
LCS_GDT     L    44_B     L    44_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    45_B     E    45_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     R    46_B     R    46_C     19   35   50     11   16   18   27   33   40   45   49   50   54   55   58   60   64   71   75   79   82   84   86 
LCS_GDT     L    47_B     L    47_C     19   35   50      5   16   18   27   33   40   45   49   50   54   55   58   60   63   67   75   79   80   84   86 
LCS_GDT     K    48_B     K    48_C     19   35   50      8   16   18   27   33   40   45   49   50   54   55   58   63   70   73   76   79   82   84   86 
LCS_GDT     E    49_B     E    49_C     19   35   50      8   16   18   27   33   39   45   49   50   54   55   58   60   63   66   71   77   80   81   85 
LCS_GDT     E    50_B     E    50_C     19   35   50      4   12   18   20   33   36   45   49   50   54   55   58   60   63   65   68   70   75   81   83 
LCS_GDT     V    51_B     V    51_C     19   35   50      4   16   18   19   33   36   45   49   50   54   55   58   60   63   66   73   79   80   81   85 
LCS_GDT     D    52_B     D    52_C     19   34   50      3    4    4   11   19   20   36   39   48   54   55   58   60   63   65   69   74   79   81   83 
LCS_GDT     Q    55_B     Q    55_C      3   20   50      0    3    3    4   11   19   32   42   46   51   55   57   64   70   73   76   79   82   84   86 
LCS_GDT     L    56_B     L    56_C      3    3   50      0    3    3    8   10   16   20   24   32   40   49   51   58   61   65   73   79   82   84   85 
LCS_GDT     N    57_B     N    57_C      4    4   50      3    4    4    8   10   15   20   24   37   42   49   52   64   70   73   76   79   82   84   86 
LCS_GDT     M    58_B     M    58_C      4    4   50      3    4    4    4    4    4   18   23   26   32   48   52   64   70   73   76   79   82   84   86 
LCS_GDT     N    59_B     N    59_C      4    4   50      3    4    4    4    4    6   23   27   31   35   39   46   52   61   71   76   78   82   84   86 
LCS_GDT     L    60_B     L    60_C      4    4   49      3    4    5    5    7   10   12   22   27   33   39   46   50   58   63   69   76   81   84   86 
LCS_GDT     I    61_B     I    61_C      3    3   19      3    3    5    7   12   15   18   23   28   36   41   46   52   60   66   76   78   82   84   86 
LCS_GDT     V    62_B     V    62_C      3    3   19      3    3    3    4    7    9   13   18   21   23   25   27   31   35   46   54   64   70   76   82 
LCS_GDT     F    63_B     F    63_C      3   10   19      2    3    8    8   11   11   13   13   14   15   16   18   26   29   33   33   34   39   44   51 
LCS_GDT     E    64_B     E    64_C      3   10   19      1    5    8    8   11   11   13   13   14   15   16   17   20   25   33   33   34   38   43   49 
LCS_GDT     G    65_B     G    65_C      6   10   19      4    6    8    8   11   11   13   13   14   15   15   18   20   25   31   32   33   37   43   49 
LCS_GDT     L    66_B     L    66_C      6   10   19      4    6    6    8   11   11   13   13   14   15   15   18   20   22   28   32   42   43   47   53 
LCS_GDT     E    67_B     E    67_C      6   10   19      4    6    8    8   11   11   13   13   14   15   15   16   31   40   46   49   54   61   65   70 
LCS_GDT     V    68_B     V    68_C      6   10   19      4    6    6    7   11   11   13   13   14   15   19   33   40   45   51   54   60   63   68   72 
LCS_GDT     D    69_B     D    69_C      6   10   19      3    6    6    7   11   11   13   13   16   28   36   42   45   51   55   63   67   70   76   79 
LCS_GDT     E    70_B     E    70_C      6   10   19      3    6    8    8   11   11   13   13   14   17   18   25   32   44   53   63   67   70   76   81 
LCS_GDT     E    71_B     E    71_C      3   10   19      3    3    8    8   11   11   13   13   14   15   16   19   21   27   33   38   44   50   60   72 
LCS_GDT     G    72_B     G    72_C      3   10   19      3    3    4    7   10   10   13   13   14   15   15   17   18   21   26   30   35   42   50   58 
LCS_GDT     R    73_B     R    73_C      3    8   19      3    5    8    8   11   11   13   13   14   15   15   17   18   21   26   31   35   40   47   55 
LCS_GDT     V    74_B     V    74_C      3    5   42      3    3    4    4    8   11   13   13   14   15   15   17   18   23   30   34   38   47   58   66 
LCS_GDT     W    75_B     W    75_C      3    3   42      3    5    8    8   11   11   13   13   14   15   16   19   36   45   51   54   60   69   75   79 
LCS_GDT     F    76_B     F    76_C      3    3   42      3    3    5    5    5    8   11   13   15   18   25   35   41   46   52   63   67   70   77   82 
LCS_GDT     I    77_B     I    77_C      3    3   42      3    3    5    5    5    5   11   12   18   21   27   30   35   47   53   63   67   74   79   86 
LCS_GDT     V    78_B     V    78_C      3    4   42      3    3    5    5    5    7   11   11   18   36   37   44   51   52   59   65   72   78   82   86 
LCS_GDT     K    79_B     K    79_C      3    4   58      3    3    3    4    6   10   12   14   18   36   38   44   51   52   59   66   72   78   82   86 
LCS_GDT     E    80_B     E    80_C      3   33   58      3    3    4    5   10   14   30   34   36   38   42   47   56   62   71   76   78   82   84   86 
LCS_GDT     M    81_B     M    81_C      3   34   58      3    3    3    5    9   13   30   34   36   37   42   46   54   62   71   76   78   82   84   86 
LCS_GDT     L    82_B     L    82_C      3   34   58      3    3    4    7   12   18   23   32   36   39   44   49   56   69   72   76   78   82   84   86 
LCS_GDT     H    83_B     H    83_C     29   34   58      8   10   15   19   27   31   33   35   40   44   49   55   64   70   73   76   79   82   84   86 
LCS_GDT     A    84_B     A    84_C     30   34   58      8   11   27   30   31   32   34   41   46   49   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     T    85_B     T    85_C     30   34   58      8   19   29   30   31   32   33   35   40   44   47   56   63   70   73   76   79   82   84   86 
LCS_GDT     T    86_B     T    86_C     30   34   58      8   19   29   30   31   32   40   44   47   53   55   58   62   70   73   76   79   82   84   86 
LCS_GDT     E    87_B     E    87_C     30   34   58      8   16   29   30   31   32   40   49   50   53   55   58   60   69   73   76   79   82   84   86 
LCS_GDT     E    88_B     E    88_C     30   34   58     13   25   29   30   32   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    89_B     E    89_C     30   34   58     13   25   29   30   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     A    90_B     A    90_C     30   34   58     19   25   29   30   31   38   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     L    91_B     L    91_C     30   34   58     19   25   29   30   33   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     E    92_B     E    92_C     30   34   58     19   25   29   30   37   40   42   48   50   54   55   57   64   70   73   76   79   82   84   86 
LCS_GDT     N    93_B     N    93_C     30   34   58     18   25   29   30   37   40   42   46   50   54   55   57   64   70   73   76   79   82   84   86 
LCS_GDT     M    94_B     M    94_C     30   34   58     19   25   29   30   37   40   45   49   50   54   55   58   64   70   73   76   79   82   84   86 
LCS_GDT     D    95_B     D    95_C     30   34   58     19   25   29   30   37   40   42   46   50   54   55   57   64   70   73   76   79   82   84   86 
LCS_GDT     K    96_B     K    96_C     30   34   58     19   25   29   30   37   40   42   46   47   50   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     F    97_B     F    97_C     30   34   58     19   25   29   30   37   40   42   46   47   50   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     L    98_B     L    98_C     30   34   58     19   25   29   30   37   40   42   46   49   54   55   57   64   70   73   76   79   82   84   86 
LCS_GDT     E    99_B     E    99_C     30   34   58     19   25   29   30   37   40   42   46   47   49   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     S   100_B     S   100_C     30   34   58     19   25   29   30   37   40   42   46   47   49   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     W   101_B     W   101_C     30   34   58     19   25   29   30   37   40   42   46   47   49   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     E   102_B     E   102_C     30   34   58     19   25   29   30   37   40   42   46   47   49   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     K   103_B     K   103_C     30   34   58     19   25   29   30   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     V   104_B     V   104_C     30   34   58     19   25   29   30   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     F   105_B     F   105_C     30   34   58     19   25   29   30   37   40   42   46   47   49   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     K   106_B     K   106_C     30   34   58     19   25   29   30   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     E   107_B     E   107_C     30   34   58     19   25   29   30   37   40   42   46   47   49   52   56   64   70   73   76   79   82   84   86 
LCS_GDT     L   108_B     L   108_C     30   34   58     19   25   29   30   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     L   109_B     L   109_C     30   34   58     19   25   29   30   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     E   110_B     E   110_C     30   34   58     19   25   29   30   37   40   42   45   47   49   52   56   64   70   73   76   79   82   84   86 
LCS_GDT     Y   111_B     Y   111_C     30   34   58     19   25   29   30   37   40   42   46   47   49   52   55   64   70   73   76   79   82   84   86 
LCS_GDT     H   112_B     H   112_C     30   34   58     11   25   29   30   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     F   113_B     F   113_C     30   34   58      7   24   29   30   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     E   114_B     E   114_C     27   34   58      3    4   15   25   37   40   42   46   47   49   52   57   64   70   73   76   79   82   84   86 
LCS_GDT     H   115_B     H   115_C      4    4   58      3    4    4   16   25   33   36   39   46   50   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     N   116_B     N   116_C      4   20   58      4   14   20   27   31   33   36   38   46   50   54   57   64   70   73   76   79   82   84   86 
LCS_GDT     S   119_B     S   119_C      3   20   58      3    3    4    5    8   10   14   20   28   33   54   57   60   63   65   67   70   74   78   79 
LCS_GDT     P   120_B     P   120_C     15   20   58      5   12   16   19   22   24   29   49   50   53   55   58   60   63   65   66   67   69   74   77 
LCS_GDT     T   121_B     T   121_C     15   20   58      8   13   16   20   22   24   31   37   41   47   55   58   60   63   65   66   67   69   74   77 
LCS_GDT     F   122_B     F   122_C     15   20   58      8   13   16   20   23   40   45   49   50   54   55   58   60   63   67   69   76   80   82   85 
LCS_GDT     D   123_B     D   123_C     15   20   58      8   13   16   20   22   24   31   39   47   53   55   58   60   62   65   66   67   68   72   76 
LCS_GDT     F   124_B     F   124_C     15   20   58      8   13   16   20   22   24   31   37   42   48   52   54   58   60   62   62   64   66   69   70 
LCS_GDT     F   125_B     F   125_C     15   20   58      8   13   16   20   22   24   31   37   47   53   55   58   60   63   65   66   67   70   74   77 
LCS_GDT     L   126_B     L   126_C     15   20   58      8   13   16   20   22   24   31   39   50   53   55   58   60   63   65   66   67   70   74   77 
LCS_GDT     D   127_B     D   127_C     15   20   58      8   13   16   20   22   24   31   37   41   47   48   50   56   56   60   62   63   65   67   70 
LCS_GDT     F   128_B     F   128_C     15   20   58      8   13   16   20   22   24   31   37   41   47   48   50   52   53   60   62   63   65   66   70 
LCS_GDT     L   129_B     L   129_C     15   20   58      6   13   16   20   22   24   31   37   42   48   52   57   60   60   64   66   67   68   70   76 
LCS_GDT     W   130_B     W   130_C     15   20   58      6   13   16   20   22   24   30   36   41   47   48   50   52   53   60   62   63   65   66   70 
LCS_GDT     W   131_B     W   131_C     15   20   58      6   13   16   19   22   24   31   37   41   47   48   50   52   53   58   58   60   62   63   63 
LCS_GDT     Q   132_B     Q   132_C     15   20   58      6   13   16   20   22   24   31   37   41   47   48   50   52   53   58   58   60   62   63   68 
LCS_GDT     L   133_B     L   133_C     15   20   58      6   13   16   20   22   24   30   36   41   47   48   50   52   53   58   62   63   65   66   68 
LCS_GDT     Y   134_B     Y   134_C     15   20   58      4   13   16   20   22   24   30   36   40   47   48   50   52   53   53   57   58   60   61   62 
LCS_GDT     G   135_B     G   135_C     15   20   58      4    9   16   20   22   24   31   37   41   47   48   50   52   53   53   57   58   59   59   59 
LCS_GDT     E   136_B     E   136_C      6   20   58      4    8   16   20   22   23   30   36   40   47   48   50   52   53   53   57   58   59   59   59 
LCS_GDT     P   137_B     P   137_C      6   20   58      3    6    8   10   15   23   30   36   40   47   48   50   52   53   53   57   58   59   59   59 
LCS_GDT     M   138_B     M   138_C      6   19   58      3    6    7   12   18   24   31   37   41   47   48   50   52   53   53   57   58   59   59   59 
LCS_AVERAGE  LCS_A:  24.87  (  14.52   20.58   39.49 )

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     19     25     29     30     37     40     45     49     50     54     55     58     64     70     73     76     79     82     84     86 
GDT PERCENT_AT  14.96  19.69  22.83  23.62  29.13  31.50  35.43  38.58  39.37  42.52  43.31  45.67  50.39  55.12  57.48  59.84  62.20  64.57  66.14  67.72
GDT RMS_LOCAL    0.33   0.50   0.83   0.88   1.74   1.86   2.41   2.56   2.63   2.92   3.03   3.33   4.26   4.60   4.74   5.16   5.14   5.47   5.60   5.98
GDT RMS_ALL_AT  12.02  11.98  12.02  12.00  13.54  13.60  15.75  15.86  15.77  15.49  15.36  16.46  12.68  12.58  12.56  12.26  12.65  12.33  12.32  12.14

# Checking swapping
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    35_B      E    35_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    45_B      E    45_C
#   possible swapping detected:  E    49_B      E    49_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  E    89_B      E    89_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   122_B      F   122_C
#   possible swapping detected:  D   127_B      D   127_C
#   possible swapping detected:  F   128_B      F   128_C
#   possible swapping detected:  Y   134_B      Y   134_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     6.824     0    0.580   0.568    10.474   17.381   10.340
LGA    I     3_B      I     3_C     3.319     0    0.054   0.141     4.487   52.262   54.048
LGA    Q     4_B      Q     4_C     3.631     0    0.045   1.458     8.142   45.000   30.794
LGA    E     5_B      E     5_C     4.134     0    0.018   0.130     6.029   43.452   32.381
LGA    E     6_B      E     6_C     2.830     0    0.033   0.867     3.266   59.167   59.841
LGA    I     7_B      I     7_C     2.239     0    0.019   0.114     2.509   64.762   64.821
LGA    Q     8_B      Q     8_C     3.088     0    0.030   0.923     4.560   55.357   49.577
LGA    K     9_B      K     9_C     2.700     0    0.041   1.469    11.092   62.976   39.259
LGA    K    10_B      K    10_C     1.316     0    0.052   0.835     2.184   79.286   74.868
LGA    V    11_B      V    11_C     2.180     0    0.066   0.096     3.021   66.786   62.721
LGA    R    12_B      R    12_C     2.633     0    0.038   1.502     4.462   64.881   60.563
LGA    E    13_B      E    13_C     1.023     0    0.288   0.389     1.923   77.143   84.603
LGA    L    14_B      L    14_C     2.652     0    0.120   1.391     7.821   64.881   46.667
LGA    L    15_B      L    15_C     1.352     0    0.086   1.438     5.084   79.524   70.417
LGA    E    16_B      E    16_C     1.419     0    0.177   0.808     3.923   83.690   67.460
LGA    K    17_B      K    17_C     1.271     0    0.062   0.124     1.599   79.286   80.476
LGA    L    18_B      L    18_C     1.863     0    0.054   0.245     3.755   75.000   63.571
LGA    I    19_B      I    19_C     1.094     0    0.021   0.672     3.171   81.429   79.762
LGA    E    20_B      E    20_C     1.218     0    0.038   0.258     1.293   81.429   85.450
LGA    Y    21_B      Y    21_C     1.478     0    0.021   0.755     5.995   77.143   57.857
LGA    L    22_B      L    22_C     1.631     0    0.020   1.408     4.965   77.143   66.845
LGA    E    23_B      E    23_C     1.197     0    0.019   0.199     2.146   81.429   76.720
LGA    E    24_B      E    24_C     1.560     0    0.088   1.169     7.137   75.000   50.317
LGA    L    25_B      L    25_C     1.968     0    0.108   1.112     5.309   72.857   66.250
LGA    K    26_B      K    26_C     1.941     0    0.568   0.886     3.823   70.833   65.132
LGA    E    27_B      E    27_C     3.804     0    0.604   0.498     8.043   40.238   25.608
LGA    K    34_B      K    34_C     2.139     0    0.270   0.939     3.176   68.929   60.847
LGA    E    35_B      E    35_C     2.670     0    0.030   1.191     7.018   59.048   40.582
LGA    K    36_B      K    36_C     2.832     0    0.016   0.984     4.681   57.143   50.423
LGA    L    37_B      L    37_C     2.428     0    0.025   1.385     3.470   59.048   60.119
LGA    E    38_B      E    38_C     2.577     0    0.025   0.839     2.625   57.143   66.296
LGA    E    39_B      E    39_C     2.723     0    0.022   0.766     5.430   57.143   48.042
LGA    V    40_B      V    40_C     2.702     0    0.020   0.051     2.702   57.143   57.143
LGA    I    41_B      I    41_C     2.638     0    0.036   0.067     2.671   57.143   57.143
LGA    E    42_B      E    42_C     2.388     0    0.061   0.793     2.537   60.952   63.069
LGA    G    43_B      G    43_C     2.556     0    0.091   0.091     2.556   57.143   57.143
LGA    L    44_B      L    44_C     2.628     0    0.042   1.253     5.856   57.143   48.452
LGA    E    45_B      E    45_C     2.806     0    0.076   0.856     5.845   60.952   46.138
LGA    R    46_B      R    46_C     1.875     0    0.018   1.152     5.798   70.833   59.221
LGA    L    47_B      L    47_C     2.534     0    0.048   0.983     5.454   59.048   51.607
LGA    K    48_B      K    48_C     2.686     0    0.090   1.075     4.015   57.143   54.921
LGA    E    49_B      E    49_C     2.963     0    0.189   0.697     3.486   55.357   53.175
LGA    E    50_B      E    50_C     3.805     0    0.216   0.334     4.748   45.000   41.376
LGA    V    51_B      V    51_C     3.518     0    0.137   0.200     3.971   43.333   45.238
LGA    D    52_B      D    52_C     5.321     0    0.174   0.275     7.101   30.119   21.786
LGA    Q    55_B      Q    55_C     7.371     0    0.612   1.157    14.957    8.571    3.968
LGA    L    56_B      L    56_C    13.038     0    0.599   1.438    18.811    0.000    0.000
LGA    N    57_B      N    57_C    13.749     0    0.621   0.738    16.765    0.000    0.000
LGA    M    58_B      M    58_C    14.476     0    0.080   1.306    16.861    0.000    0.000
LGA    N    59_B      N    59_C    20.247     0    0.586   1.049    24.018    0.000    0.000
LGA    L    60_B      L    60_C    21.815     0    0.593   1.429    24.077    0.000    0.000
LGA    I    61_B      I    61_C    22.389     0    0.636   0.575    23.034    0.000    0.000
LGA    V    62_B      V    62_C    24.703     0    0.640   1.045    28.882    0.000    0.000
LGA    F    63_B      F    63_C    31.668     0    0.634   0.584    33.515    0.000    0.000
LGA    E    64_B      E    64_C    35.111     0    0.617   1.408    42.818    0.000    0.000
LGA    G    65_B      G    65_C    34.900     0    0.512   0.512    35.096    0.000    0.000
LGA    L    66_B      L    66_C    36.011     0    0.042   1.046    39.014    0.000    0.000
LGA    E    67_B      E    67_C    37.002     0    0.091   0.854    40.561    0.000    0.000
LGA    V    68_B      V    68_C    37.461     0    0.122   1.001    38.193    0.000    0.000
LGA    D    69_B      D    69_C    37.633     0    0.012   0.311    37.981    0.000    0.000
LGA    E    70_B      E    70_C    37.840     0    0.296   1.289    39.428    0.000    0.000
LGA    E    71_B      E    71_C    35.105     0    0.659   1.376    35.889    0.000    0.000
LGA    G    72_B      G    72_C    33.471     0    0.526   0.526    34.517    0.000    0.000
LGA    R    73_B      R    73_C    29.391     0    0.631   1.202    30.739    0.000    0.000
LGA    V    74_B      V    74_C    27.168     0    0.660   1.446    27.740    0.000    0.000
LGA    W    75_B      W    75_C    28.712     0    0.625   0.576    34.153    0.000    0.000
LGA    F    76_B      F    76_C    25.788     0    0.589   0.467    27.305    0.000    0.000
LGA    I    77_B      I    77_C    23.747     0    0.610   0.781    24.415    0.000    0.000
LGA    V    78_B      V    78_C    23.310     0    0.620   0.639    26.022    0.000    0.000
LGA    K    79_B      K    79_C    25.527     0    0.135   0.593    28.955    0.000    0.000
LGA    E    80_B      E    80_C    19.982     0    0.600   0.545    21.494    0.000    0.000
LGA    M    81_B      M    81_C    16.827     0    0.630   0.943    18.065    0.000    0.000
LGA    L    82_B      L    82_C    17.905     0    0.554   1.032    22.578    0.000    0.000
LGA    H    83_B      H    83_C    14.992     0    0.601   1.118    16.106    0.000    0.000
LGA    A    84_B      A    84_C     9.591     0    0.079   0.087    11.258    0.119    1.524
LGA    T    85_B      T    85_C    10.850     0    0.169   0.189    13.247    0.119    0.136
LGA    T    86_B      T    86_C     6.669     0    0.061   1.035     7.579   17.024   25.374
LGA    E    87_B      E    87_C     5.947     0    0.064   1.350    12.286   29.762   14.815
LGA    E    88_B      E    88_C     2.724     0    0.026   1.141     5.336   63.333   50.582
LGA    E    89_B      E    89_C     2.940     0    0.056   1.027     8.924   59.762   35.873
LGA    A    90_B      A    90_C     3.228     0    0.033   0.041     4.580   61.190   55.238
LGA    L    91_B      L    91_C     2.039     0    0.022   1.012     7.184   63.333   45.536
LGA    E    92_B      E    92_C     5.253     0    0.051   0.267     8.726   27.738   17.937
LGA    N    93_B      N    93_C     6.175     0    0.011   1.020     8.999   19.524   14.702
LGA    M    94_B      M    94_C     3.323     0    0.036   0.984     4.431   43.452   54.405
LGA    D    95_B      D    95_C     6.027     0    0.060   0.096     8.061   15.833   15.655
LGA    K    96_B      K    96_C    10.000     0    0.028   1.112    19.513    1.310    0.582
LGA    F    97_B      F    97_C     8.927     0    0.028   1.388     9.825    2.976    2.771
LGA    L    98_B      L    98_C     6.492     0    0.083   1.421     8.989    9.524   26.488
LGA    E    99_B      E    99_C    11.034     0    0.074   1.017    14.015    0.357    0.159
LGA    S   100_B      S   100_C    13.799     0    0.082   0.710    14.329    0.000    0.000
LGA    W   101_B      W   101_C    11.025     0    0.061   1.085    13.432    0.000    0.034
LGA    E   102_B      E   102_C    10.821     0    0.022   0.836    13.118    0.000    0.000
LGA    K   103_B      K   103_C    15.846     0    0.024   0.573    23.959    0.000    0.000
LGA    V   104_B      V   104_C    16.380     0    0.022   0.058    17.345    0.000    0.000
LGA    F   105_B      F   105_C    12.852     0    0.000   1.143    13.823    0.000    0.000
LGA    K   106_B      K   106_C    15.512     0    0.037   0.132    21.107    0.000    0.000
LGA    E   107_B      E   107_C    19.684     0    0.030   0.495    23.145    0.000    0.000
LGA    L   108_B      L   108_C    17.417     0    0.017   1.368    17.849    0.000    0.000
LGA    L   109_B      L   109_C    14.914     0    0.037   0.970    16.872    0.000    0.000
LGA    E   110_B      E   110_C    19.818     0    0.018   0.144    22.725    0.000    0.000
LGA    Y   111_B      Y   111_C    21.993     0    0.029   1.384    27.897    0.000    0.000
LGA    H   112_B      H   112_C    18.163     0    0.032   0.155    19.146    0.000    0.000
LGA    F   113_B      F   113_C    17.497     0    0.050   0.500    18.587    0.000    0.000
LGA    E   114_B      E   114_C    20.562     0    0.035   1.030    26.742    0.000    0.000
LGA    H   115_B      H   115_C    15.153     0    0.154   1.493    17.003    0.000    0.000
LGA    N   116_B      N   116_C    10.976     0    0.078   0.082    16.637    0.476    0.238
LGA    S   119_B      S   119_C     6.149     0    0.598   0.766     6.545   18.214   18.730
LGA    P   120_B      P   120_C     7.073     0    0.223   0.496     8.829   11.548   10.476
LGA    T   121_B      T   121_C     7.041     0    0.059   1.108     8.810   15.476   10.952
LGA    F   122_B      F   122_C     3.116     0    0.056   1.200     9.246   40.357   26.061
LGA    D   123_B      D   123_C     7.808     0    0.077   0.097    10.698    7.976    4.286
LGA    F   124_B      F   124_C    10.664     0    0.010   1.450    16.678    0.476    0.173
LGA    F   125_B      F   125_C     7.188     0    0.064   0.935     9.143   10.119   10.346
LGA    L   126_B      L   126_C     6.644     0    0.026   0.922     9.869    8.690    6.429
LGA    D   127_B      D   127_C    13.086     0    0.079   1.028    15.858    0.000    0.000
LGA    F   128_B      F   128_C    13.356     0    0.081   1.386    16.739    0.000    0.000
LGA    L   129_B      L   129_C     8.832     0    0.026   0.130    10.602    0.714   19.167
LGA    W   130_B      W   130_C    12.671     0    0.056   1.663    23.054    0.000    0.000
LGA    W   131_B      W   131_C    17.349     0    0.032   1.072    20.097    0.000    0.000
LGA    Q   132_B      Q   132_C    15.537     0    0.094   0.680    19.158    0.000    0.000
LGA    L   133_B      L   133_C    12.804     0    0.048   1.457    15.731    0.000    1.607
LGA    Y   134_B      Y   134_C    19.208     0    0.013   0.546    23.180    0.000    0.000
LGA    G   135_B      G   135_C    23.687     0    0.082   0.082    27.792    0.000    0.000
LGA    E   136_B      E   136_C    26.998     0    0.041   0.094    30.465    0.000    0.000
LGA    P   137_B      P   137_C    27.950     0    0.037   0.036    31.997    0.000    0.000
LGA    M   138_B      M   138_C    26.071     0    0.661   1.463    31.286    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):    11.492         11.490                 12.142           26.268   23.491

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  127    4.0     49    2.56    35.433    32.021     1.845

LGA_LOCAL      RMSD:   2.556  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.855  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  11.492  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.417502 * X  +  -0.041352 * Y  +  -0.907734 * Z  +  48.794247
  Y_new =  -0.661801 * X  +   0.698371 * Y  +   0.272574 * Z  +  -7.694868
  Z_new =   0.622664 * X  +   0.714540 * Y  +  -0.318938 * Z  +  59.759739 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.133597 -0.672143  1.990614   [DEG: -122.2461  -38.5109  114.0538 ]
ZXZ: -1.862509  1.895405  0.716798   [DEG: -106.7139  108.5987   41.0695 ]
 
# END of job
