
#######################################################
#                                                     #
#                        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:    73       3_A - 75_A        5.00    15.21
  LONGEST_CONTINUOUS_SEGMENT:    73       4_A - 76_A        4.96    15.13
  LCS_AVERAGE:     40.94

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      20_A - 44_A        2.00    13.91
  LCS_AVERAGE:     11.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     119_A - 134_A       0.88    22.74
  LCS_AVERAGE:      5.56

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      4    4   73      3    3    4    4    4   15   20   29   36   44   50   55   63   67   72   77   81   82   85   87 
LCS_GDT     V     4_A     V     4_A      4    4   73      3    3    4    4    4   17   28   34   40   46   53   60   65   71   75   77   81   82   85   87 
LCS_GDT     D     5_A     D     5_A      4   22   73      4    8   17   24   30   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     K     6_A     K     6_A      7   22   73      3    9   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     R     7_A     R     7_A      7   22   73      3   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     K     8_A     K     8_A      7   22   73      3    8   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I     9_A     I     9_A      7   22   73      3    6   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     K    10_A     K    10_A      7   22   73      4    9   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    11_A     I    11_A      7   22   73      4   10   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    12_A     I    12_A      7   22   73      3    7   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     L    13_A     L    13_A      7   22   73      5   10   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    14_A     N    14_A      7   22   73      5   11   16   25   31   40   42   44   47   52   59   62   68   71   75   77   81   81   85   87 
LCS_GDT     G    15_A     G    15_A      4   22   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     E    16_A     E    16_A      4   22   73      5   11   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     M    17_A     M    17_A      5   22   73      3   11   19   24   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     E    18_A     E    18_A      6   22   73      3   11   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     E    19_A     E    19_A      6   24   73      3   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     A    20_A     A    20_A      6   25   73      8   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     E    21_A     E    21_A      6   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     L    22_A     L    22_A      6   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     H    23_A     H    23_A      6   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     M    24_A     M    24_A      5   25   73      5    9   17   24   30   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    25_A     I    25_A      5   25   73      4    7   12   20   30   34   41   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     T    26_A     T    26_A      4   25   73      3    8   17   24   30   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     S    27_A     S    27_A      4   25   73      3    8   12   18   27   33   40   44   47   52   58   62   68   71   75   77   81   82   85   87 
LCS_GDT     P    28_A     P    28_A      8   25   73      3    6    9   12   16   23   28   36   40   47   52   58   64   69   75   77   81   82   85   87 
LCS_GDT     N    29_A     N    29_A      8   25   73      3    6   12   18   26   32   40   44   46   50   55   60   65   71   75   77   81   82   85   87 
LCS_GDT     R    30_A     R    30_A      8   25   73      5    9   16   24   30   35   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     H    31_A     H    31_A      8   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     C    32_A     C    32_A      8   25   73      5    9   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     C    33_A     C    33_A      8   25   73      4   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     L    34_A     L    34_A      8   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     K    35_A     K    35_A      8   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    36_A     I    36_A      7   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     F    37_A     F    37_A      6   25   73      3    6    9   24   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     H    38_A     H    38_A      6   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    39_A     N    39_A      6   25   73      5    9   17   24   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    40_A     N    40_A      7   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    41_A     N    41_A      7   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     Q    42_A     Q    42_A      7   25   73      5   11   19   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     L    43_A     L    43_A      7   25   73      2    6   12   20   27   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     A    44_A     A    44_A      7   25   73      3    7   13   20   30   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     E    45_A     E    45_A      7   24   73      4    7   13   20   30   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     S    46_A     S    46_A      7   20   73      3    7   12   20   28   34   41   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    47_A     N    47_A      5   20   73      3    5   11   20   30   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     D    48_A     D    48_A      4   20   73      3    4   11   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     T    49_A     T    49_A      4   14   73      3    4    6    9   17   22   29   37   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     D    50_A     D    50_A     13   16   73      3    4   12   16   20   28   31   37   44   52   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     Y    51_A     Y    51_A     13   16   73      3   12   15   17   22   28   31   38   44   52   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     F    52_A     F    52_A     13   16   73      8   12   15   17   22   28   31   37   44   51   57   62   68   71   75   77   81   82   85   87 
LCS_GDT     S    53_A     S    53_A     13   16   73      7   12   15   17   22   28   31   37   44   47   56   62   66   71   75   77   81   82   85   87 
LCS_GDT     C    54_A     C    54_A     13   16   73      7   12   15   17   22   28   31   38   44   50   57   62   68   71   75   77   81   82   85   87 
LCS_GDT     F    55_A     F    55_A     13   16   73      8   12   15   17   22   28   31   38   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     A    56_A     A    56_A     13   16   73      8   12   15   17   22   28   31   38   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     D    57_A     D    57_A     13   16   73      8   12   15   17   22   28   31   38   44   52   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     L    58_A     L    58_A     13   16   73      8   12   15   17   22   28   31   38   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     R    59_A     R    59_A     13   16   73      8   12   15   17   22   28   31   41   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    60_A     N    60_A     13   16   73      8   12   15   17   22   28   31   38   44   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     Q    61_A     Q    61_A     13   16   73      8   12   15   17   22   28   31   38   44   52   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     L    62_A     L    62_A     13   16   73      5   12   15   17   22   28   32   41   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     K    63_A     K    63_A     13   16   73      3   10   15   17   19   28   32   39   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    64_A     N    64_A      6   16   73      3    6    8   13   16   20   24   37   47   52   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    65_A     I    65_A      7   16   73      5    6   16   19   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    66_A     I    66_A      7   16   73      5    6    8   13   20   25   34   37   43   47   55   60   66   70   75   77   81   82   85   87 
LCS_GDT     F    67_A     F    67_A      7   15   73      5    6    8   13   15   20   28   38   43   48   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     L    68_A     L    68_A      7   15   73      5    6    8   13   15   18   22   28   33   35   40   45   55   57   64   68   72   74   77   81 
LCS_GDT     C    69_A     C    69_A      7   15   73      5    6    7   13   15   20   24   29   33   39   45   54   62   63   67   71   73   76   79   85 
LCS_GDT     K    70_A     K    70_A      7   15   73      4    6    6    8    8   20   24   32   35   42   49   54   62   64   68   71   73   74   77   81 
LCS_GDT     G    71_A     G    71_A      7    9   73      4    6    7   10   20   32   37   43   46   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     A    72_A     A    72_A      3    9   73      3    3    3   10   20   29   37   41   43   52   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     K    73_A     K    73_A      3    5   73      3   10   15   17   22   28   33   41   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    74_A     I    74_A      3    5   73      3    3    4    6    6    6   10   13   34   37   49   62   68   71   75   77   81   82   85   87 
LCS_GDT     N    75_A     N    75_A      3    5   73      0    3    4    6    6    9   12   29   34   44   50   57   66   71   75   77   81   82   85   87 
LCS_GDT     V    76_A     V    76_A      3    5   73      0    5    9   10   15   22   26   36   44   49   54   58   66   71   75   77   81   82   85   87 
LCS_GDT     Y    77_A     Y    77_A      3    5   29      3    3    4    5    6    8   11   14   29   36   45   51   57   62   65   70   76   82   85   87 
LCS_GDT     P    78_A     P    78_A      3    5   27      3    3    4    5    9   11   14   19   33   36   45   51   57   62   66   70   76   82   85   87 
LCS_GDT     S    79_A     S    79_A      3    5   27      3    3    3    4    5    8    9   16   19   21   31   37   46   55   61   67   71   76   81   85 
LCS_GDT     A    80_A     A    80_A      3    5   27      3    3    3    4    5    8    9   12   13   15   21   26   38   40   54   57   59   68   77   82 
LCS_GDT     M    81_A     M    81_A      3    5   27      3    3    3    5    5    7    9   11   13   15   23   33   38   40   42   45   66   70   77   82 
LCS_GDT     S    82_A     S    82_A      3    4   27      3    3    5    5    7   11   16   24   34   42   48   56   60   64   68   74   81   82   85   87 
LCS_GDT     R    83_A     R    83_A      3    4   27      3    3    5    6   13   19   26   36   41   48   54   58   64   67   72   77   81   82   85   87 
LCS_GDT     D    84_A     D    84_A      4    4   27      3    4    5    6    9   15   26   36   40   44   52   57   62   67   71   76   81   82   85   87 
LCS_GDT     M    85_A     M    85_A      4    4   27      3    4    9   14   16   22   27   34   43   49   54   59   66   71   75   77   81   82   85   87 
LCS_GDT     S    86_A     S    86_A      4    4   27      3    4    7   16   21   26   34   41   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     D    87_A     D    87_A      4   10   27      3    4    6   19   27   35   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     G    88_A     G    88_A      3   10   27      3   11   16   25   31   40   42   44   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     I    89_A     I    89_A      3   10   27      3    3    8   14   19   28   36   43   47   53   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     V    90_A     V    90_A      4   10   27      3    4    5    7   10   11   17   29   41   50   59   62   68   71   75   77   81   82   85   87 
LCS_GDT     A    91_A     A    91_A      4   10   27      3    4    5    7   12   22   24   25   27   30   30   33   48   55   64   69   75   82   85   87 
LCS_GDT     Y    92_A     Y    92_A      4   10   27      3    4    5    7   11   22   24   25   27   30   30   33   48   56   64   69   75   82   85   87 
LCS_GDT     E    93_A     E    93_A      4   10   27      3    4    5    7   10   22   24   25   27   30   37   44   51   58   64   70   75   82   85   87 
LCS_GDT     T    94_A     T    94_A      4   10   27      3    4    9    9   16   18   24   25   27   30   30   37   48   54   61   65   71   75   82   85 
LCS_GDT     T    95_A     T    95_A      4   10   27      3    4    6   10   16   18   24   25   27   30   30   33   44   50   55   63   69   72   77   82 
LCS_GDT     L    96_A     L    96_A      4   10   27      3    4    5    9   13   18   24   25   27   30   30   33   34   38   54   57   59   64   71   77 
LCS_GDT     G    97_A     G    97_A      4    8   31      3    4    5    6    8   11   16   18   22   26   28   32   34   38   39   44   51   56   59   64 
LCS_GDT     Q    98_A     Q    98_A      5    6   32      3    4    5    6    9   11   14   19   21   25   27   29   34   38   54   57   59   64   67   70 
LCS_GDT     P    99_A     P    99_A      5    8   32      3    4    5    8   10   13   16   19   21   25   27   28   33   47   54   57   59   65   73   78 
LCS_GDT     G   100_A     G   100_A      5    8   32      3    4    5    5    7   13   16   19   21   25   27   28   38   40   54   59   68   76   78   82 
LCS_GDT     L   101_A     L   101_A      5    8   32      4    5    6    8   10   11   16   19   21   25   27   33   38   50   58   64   67   70   74   80 
LCS_GDT     P   102_A     P   102_A      5    8   32      4    5    6    8   10   13   16   19   21   25   30   31   34   40   44   47   51   57   73   77 
LCS_GDT     E   103_A     E   103_A      5    8   32      4    5    6    8   10   13   23   25   28   35   41   52   55   61   69   70   73   77   82   86 
LCS_GDT     N   104_A     N   104_A      5    8   32      4    5    7   10   15   22   26   33   40   47   52   56   61   65   71   76   81   82   85   87 
LCS_GDT     Q   105_A     Q   105_A      5    8   32      4    5    6    8   10   13   23   25   36   44   46   55   58   64   69   71   79   82   85   87 
LCS_GDT     V   106_A     V   106_A      3    8   32      3    3    3    5    9   13   16   19   21   42   46   51   59   62   69   74   78   82   84   86 
LCS_GDT     H   107_A     H   107_A      5    8   32      4    6    7    8   10   10   14   17   18   22   27   29   31   36   39   50   58   65   78   84 
LCS_GDT     I   108_A     I   108_A      5    8   32      4    6    7    8   10   10   12   18   19   23   27   34   36   46   49   59   64   82   84   86 
LCS_GDT     F   109_A     F   109_A      5    8   32      4    6    7    8   10   10   11   14   21   23   27   34   47   53   57   66   70   78   83   85 
LCS_GDT     D   110_A     D   110_A      5    8   32      4    6    7    8   10   15   16   20   23   26   29   37   46   53   55   60   68   72   73   80 
LCS_GDT     F   111_A     F   111_A      5    8   32      3    4    6    8   16   16   24   25   27   30   30   33   34   37   39   54   62   67   69   73 
LCS_GDT     E   112_A     E   112_A      4    8   32      4    4    7    8   10   13   18   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     D   113_A     D   113_A      4    8   32      4    6    7   10   12   16   18   19   21   25   27   29   33   36   39   44   49   56   58   59 
LCS_GDT     K   114_A     K   114_A      4    8   32      4    4    4    8   10   13   16   19   21   25   27   28   32   36   39   44   50   56   58   59 
LCS_GDT     Y   115_A     Y   115_A      4    6   32      4    4    4    6    6    8   16   19   21   25   29   32   36   46   49   51   57   67   70   70 
LCS_GDT     V   116_A     V   116_A      3   19   32      3   10   16   18   18   19   24   25   27   30   30   33   47   47   49   54   61   67   70   73 
LCS_GDT     D   117_A     D   117_A      3   19   32      3    3    3    4   15   18   20   24   27   30   30   33   34   36   39   44   49   52   57   59 
LCS_GDT     I   118_A     I   118_A      3   19   32      3    5   13   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     T   119_A     T   119_A     16   19   32      4    9   12   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     P   120_A     P   120_A     16   19   32      6   12   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     E   121_A     E   121_A     16   19   32      5   13   16   18   18   22   24   25   27   30   30   33   34   36   39   43   51   56   58   59 
LCS_GDT     E   122_A     E   122_A     16   19   32      9   13   16   18   18   22   24   25   27   30   30   35   37   44   44   46   53   56   58   59 
LCS_GDT     Q   123_A     Q   123_A     16   19   32      7   13   16   18   18   22   24   25   28   31   34   37   43   45   47   54   56   56   63   67 
LCS_GDT     R   124_A     R   124_A     16   19   32      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     K   125_A     K   125_A     16   19   32      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     F   126_A     F   126_A     16   19   32      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   53   56   58   66 
LCS_GDT     H   127_A     H   127_A     16   19   32      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     S   128_A     S   128_A     16   19   32      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     Q   129_A     Q   129_A     16   19   32      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     W   130_A     W   130_A     16   19   27      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     F   131_A     F   131_A     16   19   27      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     E   132_A     E   132_A     16   19   27      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   44   51   56   58   59 
LCS_GDT     S   133_A     S   133_A     16   19   27      9   13   16   18   18   22   24   25   27   30   30   33   34   37   39   43   49   53   55   58 
LCS_GDT     L   134_A     L   134_A     16   19   27      3   10   16   18   18   22   24   25   27   30   30   33   34   36   38   41   46   53   55   58 
LCS_AVERAGE  LCS_A:  19.49  (   5.56   11.98   40.94 )

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      9     13     19     25     31     40     42     44     47     53     59     62     68     71     75     77     81     82     85     87 
GDT PERCENT_AT   6.82   9.85  14.39  18.94  23.48  30.30  31.82  33.33  35.61  40.15  44.70  46.97  51.52  53.79  56.82  58.33  61.36  62.12  64.39  65.91
GDT RMS_LOCAL    0.23   0.48   1.06   1.39   1.64   2.04   2.18   2.30   2.65   3.30   3.55   3.72   4.14   4.36   4.59   4.75   5.09   5.24   5.57   5.70
GDT RMS_ALL_AT  21.46  22.31  13.69  14.25  14.28  14.25  14.12  14.14  14.02  14.45  14.36  14.44  14.78  14.71  14.74  14.61  14.41  14.64  14.03  14.10

# Checking swapping
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  D    48_A      D    48_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:  E    93_A      E    93_A
#   possible swapping detected:  F   109_A      F   109_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  E   122_A      E   122_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    10.905     3    0.110   0.106    10.992    0.357    0.179
LGA    V     4_A      V     4_A     8.575     0    0.065   1.106    12.607    7.500    4.286
LGA    D     5_A      D     5_A     2.344     0    0.648   1.239     4.032   66.190   70.655
LGA    K     6_A      K     6_A     0.677     0    0.047   0.069     2.533   95.238   82.063
LGA    R     7_A      R     7_A     1.437     0    0.278   1.174     6.723   79.762   56.147
LGA    K     8_A      K     8_A     0.985     0    0.083   1.184     3.052   85.952   76.296
LGA    I     9_A      I     9_A     1.967     0    0.259   1.515     5.525   64.881   58.036
LGA    K    10_A      K    10_A     1.852     0    0.109   0.857     4.614   75.000   63.439
LGA    I    11_A      I    11_A     2.281     0    0.070   0.059     2.613   62.857   65.833
LGA    I    12_A      I    12_A     2.642     0    0.136   0.144     5.618   64.881   49.821
LGA    L    13_A      L    13_A     2.770     0    0.174   0.981     5.315   45.952   41.607
LGA    N    14_A      N    14_A     2.942     0    0.346   0.348     5.619   65.000   47.798
LGA    G    15_A      G    15_A     1.609     0    0.132   0.132     2.134   72.976   72.976
LGA    E    16_A      E    16_A     2.663     0    0.416   0.888     6.833   57.976   36.455
LGA    M    17_A      M    17_A     2.133     0    0.036   0.686    10.217   75.833   44.583
LGA    E    18_A      E    18_A     2.012     0    0.090   0.802     7.320   69.048   40.582
LGA    E    19_A      E    19_A     0.899     0    0.074   0.433     2.715   79.524   75.238
LGA    A    20_A      A    20_A     0.691     0    0.078   0.106     0.877   90.476   92.381
LGA    E    21_A      E    21_A     1.567     0    0.017   0.440     2.929   75.000   69.365
LGA    L    22_A      L    22_A     1.706     0    0.149   1.256     2.737   75.000   70.060
LGA    H    23_A      H    23_A     1.039     0    0.102   0.698     2.994   81.429   78.381
LGA    M    24_A      M    24_A     2.637     0    0.604   0.573     4.933   52.857   55.179
LGA    I    25_A      I    25_A     3.961     0    0.239   1.221     9.681   43.690   25.060
LGA    T    26_A      T    26_A     2.332     0    0.439   0.965     5.170   51.071   50.340
LGA    S    27_A      S    27_A     5.290     0    0.200   0.808     5.876   30.595   28.333
LGA    P    28_A      P    28_A     9.045     0    0.615   0.613    11.716    3.452    2.041
LGA    N    29_A      N    29_A     5.824     0    0.666   1.263     7.105   21.071   17.679
LGA    R    30_A      R    30_A     3.443     0    0.248   1.174     9.717   51.905   30.866
LGA    H    31_A      H    31_A     1.609     0    0.122   0.825     2.650   68.810   74.000
LGA    C    32_A      C    32_A     1.958     0    0.150   0.192     3.867   75.000   66.746
LGA    C    33_A      C    33_A     1.441     0    0.299   0.729     3.485   77.143   70.556
LGA    L    34_A      L    34_A     1.633     0    0.074   1.381     3.305   75.000   73.274
LGA    K    35_A      K    35_A     1.622     0    0.116   0.142     2.400   77.143   72.063
LGA    I    36_A      I    36_A     0.689     0    0.568   1.016     3.807   78.095   71.071
LGA    F    37_A      F    37_A     2.923     0    0.417   1.374    12.446   66.905   27.403
LGA    H    38_A      H    38_A     1.698     0    0.210   0.898     7.255   72.857   48.524
LGA    N    39_A      N    39_A     2.365     0    0.139   1.296     6.397   68.810   52.262
LGA    N    40_A      N    40_A     1.363     0    0.096   0.931     2.283   79.286   76.190
LGA    N    41_A      N    41_A     1.409     0    0.152   0.898     4.635   79.286   66.071
LGA    Q    42_A      Q    42_A     0.517     0    0.246   1.051     8.114   86.190   56.032
LGA    L    43_A      L    43_A     2.991     0    0.677   0.682     5.837   56.071   42.738
LGA    A    44_A      A    44_A     2.705     0    0.305   0.385     4.422   52.143   51.714
LGA    E    45_A      E    45_A     3.021     0    0.321   1.173     3.931   50.119   53.228
LGA    S    46_A      S    46_A     4.101     0    0.132   0.596     8.152   40.476   30.000
LGA    N    47_A      N    47_A     3.121     0    0.365   0.577     3.867   51.786   51.905
LGA    D    48_A      D    48_A     2.722     0    0.049   1.329     6.603   38.929   31.131
LGA    T    49_A      T    49_A     7.665     0    0.315   1.096    10.675    8.690    6.599
LGA    D    50_A      D    50_A    11.062     0    0.263   0.441    14.665    0.119    0.060
LGA    Y    51_A      Y    51_A    10.065     0    0.150   1.194    10.391    0.119    2.381
LGA    F    52_A      F    52_A    11.044     0    0.066   0.112    12.918    0.000    0.000
LGA    S    53_A      S    53_A    12.056     0    0.052   0.068    13.947    0.000    0.000
LGA    C    54_A      C    54_A    10.053     0    0.072   0.117    10.908    1.071    0.794
LGA    F    55_A      F    55_A     8.125     0    0.090   1.230     8.910    4.881    8.182
LGA    A    56_A      A    56_A     9.152     0    0.065   0.064    10.045    1.429    1.143
LGA    D    57_A      D    57_A     9.729     0    0.041   0.953    10.321    0.952    1.429
LGA    L    58_A      L    58_A     7.671     0    0.031   0.368     8.416    7.976   10.476
LGA    R    59_A      R    59_A     7.009     0    0.077   1.409    12.135    9.286    4.978
LGA    N    60_A      N    60_A     8.871     0    0.097   0.993     9.802    2.976    4.286
LGA    Q    61_A      Q    61_A     8.581     0    0.127   0.188     9.320    4.405    3.280
LGA    L    62_A      L    62_A     6.184     0    0.511   0.531     6.845   15.238   23.393
LGA    K    63_A      K    63_A     6.686     0    0.220   0.653    14.515   16.548    7.937
LGA    N    64_A      N    64_A     4.974     0    0.514   1.299     7.218   34.405   23.512
LGA    I    65_A      I    65_A     2.671     0    0.141   0.638     4.227   50.119   47.857
LGA    I    66_A      I    66_A     5.552     0    0.121   1.485    12.319   19.762   12.857
LGA    F    67_A      F    67_A     6.616     0    0.075   1.229     8.412   14.167   11.775
LGA    L    68_A      L    68_A    10.617     0    0.058   0.071    13.578    0.357    0.179
LGA    C    69_A      C    69_A    11.093     0    0.056   0.773    12.867    0.357    0.238
LGA    K    70_A      K    70_A    11.018     0    0.084   0.792    21.813    1.905    0.847
LGA    G    71_A      G    71_A     5.313     0    0.705   0.705     7.709   19.048   19.048
LGA    A    72_A      A    72_A     5.940     0    0.671   0.630     8.071   26.548   22.190
LGA    K    73_A      K    73_A     7.562     0    0.080   0.811    16.764    6.190    2.910
LGA    I    74_A      I    74_A    10.618     0    0.050   0.448    13.678    0.357    0.179
LGA    N    75_A      N    75_A    12.463     0    0.599   1.366    18.060    0.000    0.000
LGA    V    76_A      V    76_A    12.078     0    0.369   1.203    14.234    0.000    0.000
LGA    Y    77_A      Y    77_A    15.140     0    0.668   1.363    20.994    0.000    0.000
LGA    P    78_A      P    78_A    14.619     0    0.029   0.609    16.110    0.000    0.000
LGA    S    79_A      S    79_A    16.786     0    0.190   0.274    19.620    0.000    0.000
LGA    A    80_A      A    80_A    17.496     0    0.549   0.537    19.655    0.000    0.000
LGA    M    81_A      M    81_A    17.003     0    0.086   1.032    21.058    0.000    0.000
LGA    S    82_A      S    82_A    10.439     0    0.444   0.691    12.971    1.548    1.508
LGA    R    83_A      R    83_A     9.105     0    0.498   1.471    12.915    0.595    0.260
LGA    D    84_A      D    84_A    10.304     0    0.051   1.351    14.761    0.119    0.060
LGA    M    85_A      M    85_A    10.846     0    0.166   1.584    14.948    0.119    0.060
LGA    S    86_A      S    86_A     7.889     0    0.050   0.171     8.142   10.357   10.556
LGA    D    87_A      D    87_A     3.799     0    0.534   1.328     9.012   46.071   27.381
LGA    G    88_A      G    88_A     2.326     0    0.676   0.676     2.546   69.286   69.286
LGA    I    89_A      I    89_A     4.917     0    0.670   1.046     8.232   31.786   21.071
LGA    V    90_A      V    90_A     6.007     0    0.538   0.964     8.460   13.571   11.769
LGA    A    91_A      A    91_A    10.231     0    0.496   0.525    12.661    1.190    1.048
LGA    Y    92_A      Y    92_A    12.042     0    0.086   1.095    21.422    0.000    0.000
LGA    E    93_A      E    93_A    12.438     0    0.049   1.476    13.874    0.000    0.053
LGA    T    94_A      T    94_A    15.519     0    0.086   0.078    16.173    0.000    0.000
LGA    T    95_A      T    95_A    18.799     0    0.090   0.091    22.933    0.000    0.000
LGA    L    96_A      L    96_A    22.296     0    0.192   1.438    24.124    0.000    0.000
LGA    G    97_A      G    97_A    28.030     0    0.077   0.077    29.220    0.000    0.000
LGA    Q    98_A      Q    98_A    25.734     0    0.422   1.139    26.271    0.000    0.000
LGA    P    99_A      P    99_A    23.934     0    0.072   0.563    24.697    0.000    0.000
LGA    G   100_A      G   100_A    22.122     0    0.190   0.190    23.127    0.000    0.000
LGA    L   101_A      L   101_A    24.269     0    0.527   1.477    28.941    0.000    0.000
LGA    P   102_A      P   102_A    25.932     0    0.048   0.073    30.388    0.000    0.000
LGA    E   103_A      E   103_A    21.956     0    0.144   1.320    23.477    0.000    0.000
LGA    N   104_A      N   104_A    15.390     0    0.232   1.129    18.119    0.000    0.000
LGA    Q   105_A      Q   105_A    17.084     0    0.582   0.674    24.776    0.000    0.000
LGA    V   106_A      V   106_A    17.127     0    0.590   1.434    17.354    0.000    0.000
LGA    H   107_A      H   107_A    17.573     0    0.637   1.373    25.829    0.000    0.000
LGA    I   108_A      I   108_A    12.122     0    0.115   1.218    15.141    0.000    0.000
LGA    F   109_A      F   109_A    13.315     0    0.241   1.364    18.026    0.000    0.000
LGA    D   110_A      D   110_A    17.506     0    0.241   1.389    23.219    0.000    0.000
LGA    F   111_A      F   111_A    17.908     0    0.054   1.147    18.973    0.000    0.000
LGA    E   112_A      E   112_A    18.429     0    0.192   1.209    20.132    0.000    0.000
LGA    D   113_A      D   113_A    21.073     0    0.365   1.081    25.315    0.000    0.000
LGA    K   114_A      K   114_A    17.284     0    0.525   1.030    22.394    0.000    0.000
LGA    Y   115_A      Y   115_A    12.626     0    0.534   1.542    14.132    0.357    0.952
LGA    V   116_A      V   116_A    10.532     0    0.037   1.124    12.149    0.000    1.020
LGA    D   117_A      D   117_A    14.690     0    0.524   1.562    17.272    0.000    0.000
LGA    I   118_A      I   118_A    18.295     0    0.312   1.328    19.434    0.000    0.000
LGA    T   119_A      T   119_A    19.689     0    0.524   1.397    21.292    0.000    0.000
LGA    P   120_A      P   120_A    21.106     0    0.095   0.117    22.826    0.000    0.000
LGA    E   121_A      E   121_A    25.313     0    0.048   0.239    31.372    0.000    0.000
LGA    E   122_A      E   122_A    20.670     0    0.053   1.171    22.122    0.000    0.000
LGA    Q   123_A      Q   123_A    16.599     0    0.040   0.833    18.462    0.000    0.000
LGA    R   124_A      R   124_A    22.520     0    0.050   1.400    30.673    0.000    0.000
LGA    K   125_A      K   125_A    25.748     0    0.041   0.831    31.538    0.000    0.000
LGA    F   126_A      F   126_A    21.096     0    0.020   1.266    23.134    0.000    0.000
LGA    H   127_A      H   127_A    21.974     0    0.020   1.188    26.051    0.000    0.000
LGA    S   128_A      S   128_A    29.096     0    0.059   0.713    32.094    0.000    0.000
LGA    Q   129_A      Q   129_A    30.304     0    0.043   0.104    31.895    0.000    0.000
LGA    W   130_A      W   130_A    27.703     0    0.053   1.256    31.159    0.000    0.000
LGA    F   131_A      F   131_A    31.577     0    0.033   1.484    36.072    0.000    0.000
LGA    E   132_A      E   132_A    37.614     0    0.142   0.996    40.606    0.000    0.000
LGA    S   133_A      S   133_A    36.673     0    0.145   0.746    38.969    0.000    0.000
LGA    L   134_A      L   134_A    37.909     0    0.200   0.294    42.245    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):    12.999         13.023                 13.781           24.708   21.077

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     44    2.30    30.114    26.941     1.834

LGA_LOCAL      RMSD:   2.299  Number of atoms:   44  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.140  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  12.999  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.479750 * X  +  -0.818316 * Y  +   0.316542 * Z  + -23.446241
  Y_new =  -0.816719 * X  +  -0.284652 * Y  +   0.501940 * Z  +  58.905193
  Z_new =  -0.320641 * X  +  -0.499331 * Y  +  -0.804896 * Z  +  -1.213182 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.039685  0.326407 -2.586332   [DEG:  -59.5695   18.7017 -148.1859 ]
ZXZ:  2.578951  2.506297 -2.570761   [DEG:  147.7630  143.6002 -147.2938 ]
 
# END of job
