
#######################################################
#                                                     #
#                        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:    62      11_A - 72_A        4.95    13.44
  LONGEST_CONTINUOUS_SEGMENT:    62      12_A - 73_A        4.98    13.12
  LCS_AVERAGE:     35.51

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      45_A - 70_A        1.96    14.23
  LONGEST_CONTINUOUS_SEGMENT:    26      46_A - 71_A        1.72    13.75
  LCS_AVERAGE:     10.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      47_A - 66_A        0.99    12.42
  LCS_AVERAGE:      5.80

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      6   10   36      3    6   13   20   32   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     V     4_A     V     4_A      6   10   36      3    7   13   20   33   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     D     5_A     D     5_A      6   10   36      4    4   10   13   15   20   37   41   49   57   63   67   74   77   80   82   86   89   94   98 
LCS_GDT     K     6_A     K     6_A      6   10   36      4    5    7   13   23   29   37   46   51   57   64   71   75   77   80   82   86   89   94   98 
LCS_GDT     R     7_A     R     7_A      6   10   36      4    4   10   13   15   17   23   29   35   46   62   65   71   76   80   82   85   87   92   98 
LCS_GDT     K     8_A     K     8_A      6   10   36      4    4   10   13   15   20   25   40   48   57   63   67   72   76   80   82   86   89   94   98 
LCS_GDT     I     9_A     I     9_A      5   10   36      4    5   10   13   15   17   25   31   36   57   62   67   72   76   80   82   86   89   94   98 
LCS_GDT     K    10_A     K    10_A      5   10   36      4    5   10   13   15   20   25   31   48   57   63   67   72   77   80   82   86   89   94   98 
LCS_GDT     I    11_A     I    11_A      5   10   62      3    5   10   13   20   39   43   55   59   62   68   73   75   77   80   82   86   89   94   98 
LCS_GDT     I    12_A     I    12_A      4   10   62      5   14   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L    13_A     L    13_A      6    9   62      3    4    6    7    9   31   39   49   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     N    14_A     N    14_A      6    9   62      3    4    6    7   12   18   32   41   54   62   65   73   75   77   80   82   86   89   94   98 
LCS_GDT     G    15_A     G    15_A      6   14   62      3    4   10   26   37   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     E    16_A     E    16_A      8   14   62      6   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     M    17_A     M    17_A      8   14   62      6   14   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     E    18_A     E    18_A      8   14   62      4    7   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     E    19_A     E    19_A      8   14   62      6   14   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     A    20_A     A    20_A      8   14   62      4   13   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     E    21_A     E    21_A      8   14   62      6   14   22   30   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L    22_A     L    22_A      8   14   62      4    5   13   23   33   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     H    23_A     H    23_A      8   14   62      4   14   22   30   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     M    24_A     M    24_A      7   14   62      4    6   13   18   33   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     I    25_A     I    25_A      5   14   62      3   13   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     T    26_A     T    26_A      4   14   62      3   13   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     S    27_A     S    27_A      5   14   62      3    8   18   26   37   43   47   53   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     P    28_A     P    28_A     10   14   62      3   13   21   29   38   43   47   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     N    29_A     N    29_A     10   14   62      3   14   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     R    30_A     R    30_A     10   14   62      4    8   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     H    31_A     H    31_A     10   14   62      6   14   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     C    32_A     C    32_A     10   14   62      5   14   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     C    33_A     C    33_A     10   14   62      4   10   24   29   37   43   47   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L    34_A     L    34_A     10   14   62      3    7   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     K    35_A     K    35_A     10   14   62      4   11   21   28   37   42   47   50   58   62   69   73   75   77   80   81   86   89   94   98 
LCS_GDT     I    36_A     I    36_A     10   14   62      3   13   24   28   37   42   47   52   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     F    37_A     F    37_A     10   14   62      3   14   21   28   37   39   47   48   58   62   65   71   74   77   79   81   84   88   94   98 
LCS_GDT     H    38_A     H    38_A      7   14   62      3    8   20   26   34   38   43   48   54   60   65   68   74   76   79   81   83   87   92   98 
LCS_GDT     N    39_A     N    39_A      7   14   62      3    6    8   12   23   33   39   43   47   52   55   60   66   71   77   80   82   87   90   91 
LCS_GDT     N    40_A     N    40_A      3   14   62      3    3    4    6   18   26   34   40   47   52   54   57   62   68   73   76   79   83   87   90 
LCS_GDT     N    41_A     N    41_A      3    7   62      3    3    4   10   13   20   26   32   37   46   52   57   62   64   67   72   74   80   83   86 
LCS_GDT     Q    42_A     Q    42_A      3    7   62      3    3    5    7   15   22   27   34   39   49   52   57   62   64   69   76   77   81   86   90 
LCS_GDT     L    43_A     L    43_A      3   15   62      3    4    6   12   15   20   23   26   29   34   42   55   62   64   67   72   75   81   84   89 
LCS_GDT     A    44_A     A    44_A      4   15   62      3    4    6   10   15   20   23   29   36   42   49   57   62   65   72   76   79   83   87   91 
LCS_GDT     E    45_A     E    45_A      4   26   62      3    3    6   13   19   26   35   40   47   51   55   62   66   71   77   80   82   87   90   92 
LCS_GDT     S    46_A     S    46_A     16   26   62      4    8   16   23   31   36   47   49   58   63   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     N    47_A     N    47_A     20   26   62      4   16   24   29   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     D    48_A     D    48_A     20   26   62      6   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     T    49_A     T    49_A     20   26   62      6   14   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     D    50_A     D    50_A     20   26   62      6   14   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     Y    51_A     Y    51_A     20   26   62      5   16   24   29   37   43   47   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     F    52_A     F    52_A     20   26   62      4   16   24   30   38   43   47   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     S    53_A     S    53_A     20   26   62      6   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     C    54_A     C    54_A     20   26   62      6   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     F    55_A     F    55_A     20   26   62      6   15   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     A    56_A     A    56_A     20   26   62      5   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     D    57_A     D    57_A     20   26   62      4   15   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L    58_A     L    58_A     20   26   62      4   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     R    59_A     R    59_A     20   26   62      4   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     N    60_A     N    60_A     20   26   62      4   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     Q    61_A     Q    61_A     20   26   62      4   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L    62_A     L    62_A     20   26   62      4   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     K    63_A     K    63_A     20   26   62      4   16   24   32   38   43   47   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     N    64_A     N    64_A     20   26   62      5   14   22   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     I    65_A     I    65_A     20   26   62      5   14   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     I    66_A     I    66_A     20   26   62      3   16   24   32   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     F    67_A     F    67_A     16   26   62      3    8   13   28   38   43   47   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L    68_A     L    68_A      3   26   62      3    5   12   15   20   37   42   48   52   55   61   65   72   76   78   81   86   89   94   98 
LCS_GDT     C    69_A     C    69_A      3   26   62      3    6    9   16   29   37   43   48   52   55   59   65   72   76   78   81   85   89   94   98 
LCS_GDT     K    70_A     K    70_A      3   26   62      3    3    5   12   28   36   43   48   52   55   59   64   71   76   78   81   84   89   94   98 
LCS_GDT     G    71_A     G    71_A      3   26   62      3    5    9   19   31   36   44   48   55   62   65   69   74   77   80   82   86   89   94   98 
LCS_GDT     A    72_A     A    72_A      3   10   62      3    3    9   20   28   38   47   52   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     K    73_A     K    73_A      4   10   62      3    4    8   13   28   40   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     I    74_A     I    74_A      4   10   52      3    5    9   13   20   30   38   45   52   61   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     N    75_A     N    75_A      6   10   41      4    5   13   20   29   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     V    76_A     V    76_A      6   10   41      4   14   22   28   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     Y    77_A     Y    77_A      6   10   41      4    9   15   24   33   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     P    78_A     P    78_A      6   10   41      4    5   12   28   38   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     S    79_A     S    79_A      6   10   41      3    5    9   13   16   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     A    80_A     A    80_A      6   10   41      3    5    9   14   23   29   49   55   59   63   69   73   75   77   80   82   86   88   94   98 
LCS_GDT     M    81_A     M    81_A      5    9   41      3    4    9   10   14   22   39   48   57   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     S    82_A     S    82_A      5    9   41      3   10   19   29   36   42   47   52   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     R    83_A     R    83_A      5    7   41      3    4    5    9   17   21   23   49   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     D    84_A     D    84_A      5   14   41      3   14   23   28   37   42   47   52   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     M    85_A     M    85_A      4   14   41      3    3    4    6    9   16   23   30   35   53   57   63   67   76   78   81   86   89   94   98 
LCS_GDT     S    86_A     S    86_A      4   14   41      3    4    7   14   16   20   23   31   38   50   54   57   62   64   73   76   80   85   94   98 
LCS_GDT     D    87_A     D    87_A      4   14   36      3    3    6   12   14   16   20   24   31   39   50   57   62   67   73   76   80   89   94   98 
LCS_GDT     G    88_A     G    88_A      4   14   36      3    3    6    9   11   16   19   24   31   42   50   57   62   67   73   76   79   87   94   98 
LCS_GDT     I    89_A     I    89_A      4   14   36      3    5    8   12   16   20   25   27   34   41   52   57   62   64   67   72   79   82   86   90 
LCS_GDT     V    90_A     V    90_A      4   14   36      4    6   12   20   27   37   43   48   52   55   57   63   71   76   78   81   83   89   94   98 
LCS_GDT     A    91_A     A    91_A      6   14   36      4   16   24   28   37   42   47   50   58   62   65   69   74   77   79   81   86   89   94   98 
LCS_GDT     Y    92_A     Y    92_A      6   14   36      3   13   22   32   38   43   47   52   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     E    93_A     E    93_A      6   14   36      3    8   21   32   38   43   47   52   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     T    94_A     T    94_A      6   14   36      3    9   16   24   33   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     T    95_A     T    95_A      6   14   36      3    9   15   20   29   43   49   53   59   63   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L    96_A     L    96_A      6   14   36      3    6    9   15   22   27   37   43   49   57   63   67   71   76   80   82   84   86   88   89 
LCS_GDT     G    97_A     G    97_A      6   14   36      3    5    8   12   19   25   31   37   44   50   60   66   71   74   74   79   82   85   88   88 
LCS_GDT     Q    98_A     Q    98_A      5   13   36      3    6   11   20   27   36   44   49   53   61   65   73   75   77   80   82   85   87   90   94 
LCS_GDT     P    99_A     P    99_A      5   13   36      3    9   15   24   33   43   49   55   59   63   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     G   100_A     G   100_A      3   13   36      3   14   21   28   35   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     L   101_A     L   101_A      3   13   36      1    5   10   14   20   38   45   52   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     P   102_A     P   102_A      3   11   35      2    6    9   17   33   40   45   50   58   62   65   69   74   76   79   81   86   89   94   98 
LCS_GDT     E   103_A     E   103_A      4    8   31      3    6   11   16   25   32   42   47   52   58   65   68   72   76   78   81   83   88   94   98 
LCS_GDT     N   104_A     N   104_A      4    8   31      3    8   18   25   36   42   47   50   58   62   65   69   74   76   79   81   86   89   94   98 
LCS_GDT     Q   105_A     Q   105_A      4    8   31      3   11   20   28   37   41   44   48   52   58   65   68   72   76   78   81   83   89   94   98 
LCS_GDT     V   106_A     V   106_A      4    8   31      3    9   15   23   33   38   43   48   52   55   59   64   71   76   78   81   82   87   90   94 
LCS_GDT     H   107_A     H   107_A      4    8   31      4    5    9   12   19   24   32   38   47   52   54   57   62   64   67   72   76   82   86   90 
LCS_GDT     I   108_A     I   108_A      3    8   31      4    6    9   14   19   26   36   43   48   52   56   58   62   69   73   79   82   86   89   97 
LCS_GDT     F   109_A     F   109_A      3    8   31      4    4    8   14   16   20   24   26   29   36   43   50   60   64   67   72   73   76   81   85 
LCS_GDT     D   110_A     D   110_A      5    7   31      4    4    5   10   13   16   26   29   34   39   47   53   60   64   67   72   73   76   79   84 
LCS_GDT     F   111_A     F   111_A      5    6   31      4    4    9   14   16   20   26   30   34   42   48   53   60   64   67   72   74   77   81   85 
LCS_GDT     E   112_A     E   112_A      5    6   31      4    4    5   18   28   36   42   48   52   55   59   64   69   73   78   81   83   86   92   97 
LCS_GDT     D   113_A     D   113_A      5    6   31      4    4    5   10   31   35   43   48   52   55   62   67   72   76   78   81   85   89   94   98 
LCS_GDT     K   114_A     K   114_A      5    6   31      3    4    5    6    8   11   17   26   46   56   65   68   74   76   79   81   86   89   94   98 
LCS_GDT     Y   115_A     Y   115_A      4    6   31      3    4    4   11   13   33   46   52   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     V   116_A     V   116_A      4    6   30      3    4    8   11   15   21   40   52   58   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     D   117_A     D   117_A      4    6   30      2    9   15   24   33   43   49   55   59   64   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     I   118_A     I   118_A      4    6   27      2    4    6    9   15   20   28   37   49   57   69   73   75   77   80   82   86   89   94   98 
LCS_GDT     T   119_A     T   119_A      4    6   24      3    3    6   12   14   18   24   27   29   35   43   48   54   61   66   76   81   84   86   91 
LCS_GDT     P   120_A     P   120_A      4    6   24      3    5    7    8   11   17   18   25   29   33   38   42   47   50   54   62   70   78   81   88 
LCS_GDT     E   121_A     E   121_A      4    6   24      3    5    7    9   15   18   24   27   29   33   36   39   41   43   44   47   51   55   58   62 
LCS_GDT     E   122_A     E   122_A      3    6   24      3    5    7   12   14   18   22   27   29   33   36   39   41   43   50   53   60   66   72   75 
LCS_GDT     Q   123_A     Q   123_A      3    4   24      3    5    9   12   15   18   24   27   29   33   41   47   54   61   66   76   78   79   85   88 
LCS_GDT     R   124_A     R   124_A      3    4   24      3    3    5    9   11   14   24   25   29   33   36   39   41   43   47   48   54   65   72   75 
LCS_GDT     K   125_A     K   125_A      3    4   24      3    5    9   12   13   18   24   27   29   33   36   39   41   43   44   47   47   60   64   66 
LCS_GDT     F   126_A     F   126_A      3    4   24      3    4    7   12   14   18   22   27   29   33   36   39   50   53   59   67   70   74   81   81 
LCS_GDT     H   127_A     H   127_A      3    4   24      3    5    9   12   15   18   24   27   29   33   41   44   54   61   66   68   71   78   81   81 
LCS_GDT     S   128_A     S   128_A      3    4   24      3    5    9   10   15   18   24   27   29   33   36   39   41   43   47   48   54   65   66   70 
LCS_GDT     Q   129_A     Q   129_A      3    6   24      3    4    9   10   14   18   22   25   29   33   36   39   41   43   47   48   60   65   66   70 
LCS_GDT     W   130_A     W   130_A      3    6   24      3    4    9   14   16   20   23   27   29   33   41   44   54   61   66   68   70   78   81   81 
LCS_GDT     F   131_A     F   131_A      4    6   24      4    5    9   14   16   20   24   27   29   33   41   44   50   61   66   68   70   78   81   81 
LCS_GDT     E   132_A     E   132_A      4    6   24      4    5    9   14   16   20   24   27   29   33   36   39   41   43   47   48   60   65   66   70 
LCS_GDT     S   133_A     S   133_A      4    6   24      4    5    9   12   15   18   24   27   29   33   36   39   41   43   44   47   47   50   61   65 
LCS_GDT     L   134_A     L   134_A      4    6   24      4    5    9   12   15   18   24   27   29   33   36   39   41   43   51   55   59   66   71   78 
LCS_AVERAGE  LCS_A:  17.21  (   5.80   10.31   35.51 )

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      6     16     24     32     38     43     49     55     59     64     69     73     75     77     80     82     86     89     94     98 
GDT PERCENT_AT   4.55  12.12  18.18  24.24  28.79  32.58  37.12  41.67  44.70  48.48  52.27  55.30  56.82  58.33  60.61  62.12  65.15  67.42  71.21  74.24
GDT RMS_LOCAL    0.27   0.75   0.95   1.36   1.57   1.81   2.21   2.50   2.69   3.09   3.33   3.59   3.69   3.88   4.08   4.30   4.66   5.03   5.38   5.73
GDT RMS_ALL_AT  10.51  12.53  12.47  11.02  10.96  11.01  10.52  10.54  10.53  10.59  10.51  10.48  10.46  10.47  10.49  10.50  10.59  10.74  10.79  10.84

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  F    55_A      F    55_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    84_A      D    84_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  D   117_A      D   117_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  E   132_A      E   132_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     3.484     3    0.189   0.215     6.098   49.405   26.845
LGA    V     4_A      V     4_A     2.859     0    0.121   0.153     6.275   38.929   58.707
LGA    D     5_A      D     5_A     7.790     0    0.188   1.003    11.935   10.357    5.179
LGA    K     6_A      K     6_A     6.299     0    0.051   0.587     8.070   10.595   37.831
LGA    R     7_A      R     7_A     9.207     0    0.174   1.241    20.704    2.619    0.952
LGA    K     8_A      K     8_A     7.800     0    0.185   0.670     8.183    6.548    8.307
LGA    I     9_A      I     9_A     7.667     0    0.175   1.167     7.839    7.143   12.262
LGA    K    10_A      K    10_A     6.903     0    0.067   0.591    11.888   18.929    9.418
LGA    I    11_A      I    11_A     3.755     0    0.179   0.664     4.846   49.167   43.988
LGA    I    12_A      I    12_A     1.241     0    0.188   1.134     3.411   65.238   59.464
LGA    L    13_A      L    13_A     6.825     0    0.227   0.926    13.472   17.619    8.988
LGA    N    14_A      N    14_A     7.982     0    0.183   0.509    12.788   15.476    7.917
LGA    G    15_A      G    15_A     3.189     0    0.115   0.115     4.901   54.762   54.762
LGA    E    16_A      E    16_A     1.571     0    0.050   1.037     5.282   68.810   57.725
LGA    M    17_A      M    17_A     1.438     0    0.069   0.861     2.574   77.143   69.107
LGA    E    18_A      E    18_A     2.926     0    0.255   0.866     9.901   62.857   34.074
LGA    E    19_A      E    19_A     1.414     0    0.095   0.412     3.613   65.238   65.450
LGA    A    20_A      A    20_A     2.102     0    0.131   0.189     2.765   70.833   68.095
LGA    E    21_A      E    21_A     0.818     0    0.041   0.694     4.422   88.214   73.175
LGA    L    22_A      L    22_A     2.137     0    0.163   1.271     7.811   71.190   48.512
LGA    H    23_A      H    23_A     0.456     0    0.239   1.306     4.367   73.095   56.714
LGA    M    24_A      M    24_A     2.622     0    0.181   0.931    11.520   73.333   41.845
LGA    I    25_A      I    25_A     2.177     0    0.278   0.874     8.026   70.833   45.357
LGA    T    26_A      T    26_A     1.812     0    0.227   0.915     3.930   68.810   62.925
LGA    S    27_A      S    27_A     4.794     0    0.314   0.795     8.892   51.548   36.508
LGA    P    28_A      P    28_A     4.229     0    0.600   0.642     7.600   39.405   28.027
LGA    N    29_A      N    29_A     1.076     0    0.191   1.125     4.948   81.548   66.190
LGA    R    30_A      R    30_A     2.132     0    0.336   1.021    11.364   79.524   38.874
LGA    H    31_A      H    31_A     0.965     0    0.083   0.919     3.095   83.810   77.714
LGA    C    32_A      C    32_A     0.680     0    0.161   0.297     2.328   82.024   81.905
LGA    C    33_A      C    33_A     4.108     0    0.162   0.837     9.173   46.905   34.365
LGA    L    34_A      L    34_A     2.389     0    0.170   1.058     5.873   44.524   42.738
LGA    K    35_A      K    35_A     6.645     0    0.068   0.831    14.215   20.833    9.577
LGA    I    36_A      I    36_A     6.028     0    0.161   0.892     7.885   12.857   19.048
LGA    F    37_A      F    37_A     9.261     0    0.215   1.197    13.023    2.381    0.866
LGA    H    38_A      H    38_A    10.888     0    0.249   1.064    15.633    0.000    0.048
LGA    N    39_A      N    39_A    15.588     0    0.611   0.900    17.951    0.000    0.000
LGA    N    40_A      N    40_A    19.628     0    0.098   1.001    22.644    0.000    0.000
LGA    N    41_A      N    41_A    21.897     0    0.461   1.344    27.512    0.000    0.000
LGA    Q    42_A      Q    42_A    19.555     0    0.324   1.190    20.848    0.000    0.000
LGA    L    43_A      L    43_A    18.271     0    0.596   0.633    22.205    0.000    0.000
LGA    A    44_A      A    44_A    14.693     0    0.283   0.313    15.906    0.000    0.000
LGA    E    45_A      E    45_A    10.906     0    0.256   0.663    16.287    0.476    0.212
LGA    S    46_A      S    46_A     5.467     0    0.253   0.372     7.152   27.619   33.968
LGA    N    47_A      N    47_A     2.674     0    0.087   0.327     3.715   55.595   60.238
LGA    D    48_A      D    48_A     0.772     0    0.066   0.887     5.025   92.976   72.738
LGA    T    49_A      T    49_A     1.009     0    0.114   0.142     2.013   79.405   79.184
LGA    D    50_A      D    50_A     2.988     0    0.151   1.088     4.415   62.976   52.381
LGA    Y    51_A      Y    51_A     4.031     0    0.198   0.450    11.450   46.905   19.444
LGA    F    52_A      F    52_A     3.787     0    0.102   0.458     6.418   48.452   32.251
LGA    S    53_A      S    53_A     2.089     0    0.036   0.645     3.940   71.190   66.825
LGA    C    54_A      C    54_A     1.088     0    0.053   0.780     4.528   79.286   70.238
LGA    F    55_A      F    55_A     1.688     0    0.117   1.057     5.743   83.810   53.290
LGA    A    56_A      A    56_A     1.718     0    0.039   0.081     2.421   72.976   71.333
LGA    D    57_A      D    57_A     2.483     0    0.057   0.810     4.249   64.881   56.726
LGA    L    58_A      L    58_A     1.843     0    0.082   1.017     3.484   75.000   69.048
LGA    R    59_A      R    59_A     0.672     0    0.028   1.353     2.985   85.952   76.364
LGA    N    60_A      N    60_A     2.910     0    0.071   0.998     3.880   55.476   51.964
LGA    Q    61_A      Q    61_A     3.431     0    0.085   1.042     4.971   50.119   43.757
LGA    L    62_A      L    62_A     2.268     0    0.118   0.246     3.897   64.881   61.250
LGA    K    63_A      K    63_A     3.657     0    0.758   1.099    10.618   42.381   23.757
LGA    N    64_A      N    64_A     1.076     0    0.128   0.475     2.801   81.548   80.714
LGA    I    65_A      I    65_A     1.162     0    0.265   0.958     3.834   75.119   64.821
LGA    I    66_A      I    66_A     2.470     0    0.124   0.359     3.915   62.976   56.548
LGA    F    67_A      F    67_A     3.650     0    0.264   1.024     6.582   32.024   45.931
LGA    L    68_A      L    68_A     8.866     0    0.241   1.294    12.596    4.167    2.143
LGA    C    69_A      C    69_A    10.405     0    0.053   0.091    10.863    0.119    0.079
LGA    K    70_A      K    70_A    11.708     0    0.306   1.124    15.666    0.119    0.053
LGA    G    71_A      G    71_A     8.209     0    0.269   0.269     9.649   17.500   17.500
LGA    A    72_A      A    72_A     4.555     0    0.650   0.604     5.952   30.357   28.571
LGA    K    73_A      K    73_A     3.128     0    0.285   0.711     6.521   45.119   42.011
LGA    I    74_A      I    74_A     6.468     0    0.631   0.739    12.720   20.000   11.488
LGA    N    75_A      N    75_A     3.540     0    0.388   0.511     4.458   48.810   42.976
LGA    V    76_A      V    76_A     0.918     0    0.055   0.514     4.878   72.024   58.095
LGA    Y    77_A      Y    77_A     1.878     0    0.168   0.316    12.873   75.476   31.230
LGA    P    78_A      P    78_A     2.480     0    0.330   0.608     3.813   70.952   61.088
LGA    S    79_A      S    79_A     3.250     0    0.426   0.610     3.250   51.786   56.190
LGA    A    80_A      A    80_A     3.776     0    0.138   0.140     6.215   54.762   47.238
LGA    M    81_A      M    81_A     6.826     0    0.102   0.704    15.540   14.405    7.381
LGA    S    82_A      S    82_A     7.670     0    0.226   0.218     9.654    7.976   10.556
LGA    R    83_A      R    83_A     6.478     0    0.206   0.796     9.626   11.429   13.290
LGA    D    84_A      D    84_A     7.601     0    0.571   0.867     9.604    6.310    9.107
LGA    M    85_A      M    85_A    13.231     0    0.093   0.963    16.402    0.000    0.000
LGA    S    86_A      S    86_A    16.013     0    0.836   1.075    17.791    0.000    0.000
LGA    D    87_A      D    87_A    15.379     0    0.171   1.033    17.642    0.000    0.000
LGA    G    88_A      G    88_A    15.048     0    0.507   0.507    15.734    0.000    0.000
LGA    I    89_A      I    89_A    17.421     0    0.601   1.592    21.975    0.000    0.000
LGA    V    90_A      V    90_A    14.305     0    0.098   0.848    18.022    0.000    0.000
LGA    A    91_A      A    91_A     9.229     0    0.393   0.526    10.906    2.738    3.143
LGA    Y    92_A      Y    92_A     5.761     0    0.097   0.351     8.547   19.405   16.786
LGA    E    93_A      E    93_A     5.013     0    0.112   0.698    10.815   41.786   21.376
LGA    T    94_A      T    94_A     1.952     0    0.117   0.890     5.260   56.786   45.986
LGA    T    95_A      T    95_A     3.986     0    0.239   0.963     7.031   30.119   48.503
LGA    L    96_A      L    96_A    10.382     0    0.079   1.312    13.984    1.190    0.595
LGA    G    97_A      G    97_A    12.651     0    0.303   0.303    12.651    0.000    0.000
LGA    Q    98_A      Q    98_A     6.025     0    0.134   0.861     8.400   10.952   31.481
LGA    P    99_A      P    99_A     3.076     0    0.129   0.405     5.204   51.071   50.340
LGA    G   100_A      G   100_A     0.980     0    0.234   0.234     4.495   67.024   67.024
LGA    L   101_A      L   101_A     6.493     0    0.145   0.805    10.062   16.548   12.560
LGA    P   102_A      P   102_A    11.300     0    0.091   0.094    13.286    0.000    0.000
LGA    E   103_A      E   103_A    14.823     0    0.273   0.753    18.491    0.000    0.000
LGA    N   104_A      N   104_A    11.578     0    0.162   1.137    13.234    0.000    0.000
LGA    Q   105_A      Q   105_A    13.959     0    0.290   0.680    17.734    0.000    0.000
LGA    V   106_A      V   106_A    15.303     0    0.283   1.090    17.018    0.000    0.000
LGA    H   107_A      H   107_A    19.165     0    0.125   1.064    26.354    0.000    0.000
LGA    I   108_A      I   108_A    14.439     0    0.238   0.894    16.228    0.000    0.000
LGA    F   109_A      F   109_A    17.935     0    0.777   0.781    19.622    0.000    0.000
LGA    D   110_A      D   110_A    20.467     0    0.500   1.007    24.976    0.000    0.000
LGA    F   111_A      F   111_A    18.696     0    0.175   1.361    21.407    0.000    0.000
LGA    E   112_A      E   112_A    12.796     0    0.190   1.304    15.080    0.000    0.794
LGA    D   113_A      D   113_A     9.984     0    0.700   1.122    10.845    0.833    0.714
LGA    K   114_A      K   114_A     8.281     0    0.580   1.120    10.006    3.810    5.608
LGA    Y   115_A      Y   115_A     4.965     0    0.252   1.055     6.061   30.119   26.865
LGA    V   116_A      V   116_A     4.993     0    0.563   0.476     6.482   30.357   25.306
LGA    D   117_A      D   117_A     2.919     0    0.110   0.847     4.593   47.262   51.310
LGA    I   118_A      I   118_A     6.745     0    0.206   0.635     8.654   11.786   16.310
LGA    T   119_A      T   119_A    11.173     0    0.159   0.479    13.994    0.238    0.136
LGA    P   120_A      P   120_A    12.535     0    0.169   0.200    16.096    0.000    0.000
LGA    E   121_A      E   121_A    19.439     0    0.213   1.520    24.221    0.000    0.000
LGA    E   122_A      E   122_A    16.713     0    0.165   0.205    19.395    0.000    0.000
LGA    Q   123_A      Q   123_A    11.846     0    0.277   0.808    14.473    0.000    5.344
LGA    R   124_A      R   124_A    17.534     0    0.377   1.005    21.134    0.000    0.000
LGA    K   125_A      K   125_A    22.050     0    0.356   0.999    30.124    0.000    0.000
LGA    F   126_A      F   126_A    16.246     0    0.178   1.473    18.297    0.000    0.000
LGA    H   127_A      H   127_A    14.814     0    0.200   1.349    18.209    0.000    0.000
LGA    S   128_A      S   128_A    22.086     0    0.290   0.525    24.898    0.000    0.000
LGA    Q   129_A      Q   129_A    23.035     0    0.354   1.106    29.125    0.000    0.000
LGA    W   130_A      W   130_A    16.865     0    0.200   1.498    19.001    0.000    0.000
LGA    F   131_A      F   131_A    18.568     0    0.194   1.271    21.126    0.000    0.000
LGA    E   132_A      E   132_A    25.851     0    0.130   0.955    32.269    0.000    0.000
LGA    S   133_A      S   133_A    25.980     0    0.173   0.742    25.980    0.000    0.000
LGA    L   134_A      L   134_A    21.002     0    0.134   0.558    22.552    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):    10.421         10.455                 11.281           30.666   26.558

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     55    2.50    35.038    30.542     2.114

LGA_LOCAL      RMSD:   2.502  Number of atoms:   55  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.539  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  10.421  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.937889 * X  +  -0.344835 * Y  +  -0.038121 * Z  + -13.326417
  Y_new =   0.346928 * X  +   0.932893 * Y  +   0.096703 * Z  +  12.592147
  Z_new =   0.002216 * X  +  -0.103921 * Y  +   0.994583 * Z  +  -1.467695 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.354295 -0.002216 -0.104110   [DEG:   20.2996   -0.1270   -5.9650 ]
ZXZ: -2.766093  0.104133  3.120273   [DEG: -158.4855    5.9664  178.7785 ]
 
# END of job
