
#######################################################
#                                                     #
#                        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  120 (  931),  selected  120 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  120 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      22_A - 74_A        5.00    14.66
  LCS_AVERAGE:     31.39

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      30_A - 60_A        1.91    16.61
  LONGEST_CONTINUOUS_SEGMENT:    31      31_A - 61_A        1.77    16.64
  LCS_AVERAGE:     13.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      31_A - 56_A        0.88    16.54
  LONGEST_CONTINUOUS_SEGMENT:    26      32_A - 57_A        0.94    16.57
  LCS_AVERAGE:      9.19

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  120
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     M     1_F     M     1_A      3    4   31      3    3    3    3    5    6   20   25   31   38   46   51   57   59   68   71   73   76   81   83 
LCS_GDT     F     2_F     F     2_A      3    6   31      3    3    4    6    7   11   11   12   24   28   42   52   56   62   68   71   73   76   81   83 
LCS_GDT     T     3_F     T     3_A      3    6   31      3    3    4    6    9   11   13   23   26   41   48   55   61   65   68   71   73   77   81   83 
LCS_GDT     G     4_F     G     4_A      5    9   31      3    4    6    8    9   12   17   24   36   46   48   54   61   65   68   71   73   77   81   83 
LCS_GDT     W     5_F     W     5_A      5    9   31      3    4    6    8    9   12   17   22   33   46   48   53   60   65   68   71   73   77   81   83 
LCS_GDT     S     6_F     S     6_A      5    9   31      3    4    6    8    9   12   17   22   33   46   48   53   60   65   68   71   73   77   81   83 
LCS_GDT     P     7_F     P     7_A      5    9   31      3    4    6    8    9   12   17   30   36   46   48   54   61   65   68   71   73   77   81   83 
LCS_GDT     F     8_F     F     8_A      5    9   31      3    4    6    8    9   12   24   32   37   46   48   55   61   65   68   71   73   77   81   83 
LCS_GDT     K     9_F     K     9_A      5    9   31      3    4    6    8    9   12   24   31   36   46   48   55   61   65   68   71   73   77   81   83 
LCS_GDT     Y    10_F     Y    10_A      4    9   31      3    4    6    8   10   13   20   22   36   46   48   55   61   65   68   71   73   77   81   83 
LCS_GDT     S    11_F     S    11_A      4    9   31      3    4    6    7   10   13   16   19   23   26   34   44   53   59   68   71   73   77   81   83 
LCS_GDT     K    12_F     K    12_A      4    9   31      3    3    5    7   10   13   29   32   36   42   47   54   61   65   68   71   73   77   81   83 
LCS_GDT     G    13_F     G    13_A      4    9   31      5   13   17   26   31   35   38   40   43   45   48   54   61   65   68   71   73   77   81   83 
LCS_GDT     N    14_F     N    14_A      5    9   31      3    5    6   17   28   33   37   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     T    15_F     T    15_A      5    9   31      3    5   11   24   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     V    16_F     V    16_A      5    9   31      4   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     T    17_F     T    17_A      5    9   31      6   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     F    18_F     F    18_A      5    9   50      7   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     K    19_F     K    19_A      5    9   50      7   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     T    20_F     T    20_A      5    8   50      4    5    8   13   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     P    21_F     P    21_A      5    8   51      4    5    8   13   15   34   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     D    22_F     D    22_A      5    8   53      4    5    6    7   11   13   20   25   32   44   48   52   57   62   68   71   73   77   81   83 
LCS_GDT     E    23_F     E    23_A      4    8   53      3    4    4    6    9   13   15   19   22   36   46   52   57   59   66   71   73   76   81   83 
LCS_GDT     S    24_F     S    24_A      4    7   53      3    4    4    6    9   18   23   27   36   44   48   52   57   59   68   71   73   77   81   83 
LCS_GDT     S    25_F     S    25_A      6    8   53      3    4    5    7   10   13   17   22   27   41   46   52   57   59   63   70   73   77   81   83 
LCS_GDT     I    26_F     I    26_A      6    8   53      5    5    5    7   14   19   26   36   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     A    27_F     A    27_A      6    8   53      5    5    5    7   11   17   23   29   36   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     Y    28_F     Y    28_A      6    8   53      5    5    5    7   11   17   21   31   36   47   51   52   61   65   68   71   73   77   81   83 
LCS_GDT     M    29_F     M    29_A      6    8   53      5    5    5    7   11   17   27   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     R    30_F     R    30_A      6   31   53      5    5    5    7   11   17   26   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     F    31_F     F    31_A     26   31   53      4   14   26   27   30   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     R    32_F     R    32_A     26   31   53     17   22   26   27   30   30   31   40   43   47   51   52   57   59   66   71   73   76   81   83 
LCS_GDT     N    33_F     N    33_A     26   31   53     17   22   26   27   31   35   38   40   43   47   51   55   59   65   68   71   73   77   81   83 
LCS_GDT     C    34_F     C    34_A     26   31   53     17   22   26   27   30   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     V    35_F     V    35_A     26   31   53     17   22   26   27   30   30   37   40   42   46   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     F    36_F     F    36_A     26   31   53     17   22   26   27   30   30   30   35   37   42   46   54   61   65   68   71   73   77   81   83 
LCS_GDT     T    37_F     T    37_A     26   31   53     17   22   26   27   30   30   30   32   37   39   42   50   54   63   67   71   73   77   81   83 
LCS_GDT     F    38_F     F    38_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   44   49   55   59   64   69   73   77   82 
LCS_GDT     T    39_F     T    39_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   41   45   51   56   59   64   67   73   75 
LCS_GDT     D    40_F     D    40_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   41   45   49   55   58   60   66   69   75 
LCS_GDT     P    41_F     P    41_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   41   45   47   52   57   60   62   66   70 
LCS_GDT     K    42_F     K    42_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   41   45   49   53   58   60   63   69   71 
LCS_GDT     G    43_F     G    43_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   41   45   49   55   59   62   67   69   75 
LCS_GDT     S    44_F     S    44_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   41   45   53   59   63   64   68   73   75 
LCS_GDT     L    45_F     L    45_A     26   31   53     17   22   26   27   30   30   30   32   35   37   39   44   52   56   60   64   68   72   79   82 
LCS_GDT     H    46_F     H    46_A     26   31   53     17   22   26   27   30   30   30   32   35   37   42   48   53   58   66   71   73   77   81   83 
LCS_GDT     S    47_F     S    47_A     26   31   53     12   22   26   27   30   30   30   32   37   42   46   54   61   65   68   71   73   77   81   83 
LCS_GDT     I    48_F     I    48_A     26   31   53     17   22   26   27   30   30   30   33   39   46   48   55   61   65   68   71   73   77   81   83 
LCS_GDT     D    49_F     D    49_A     26   31   53     17   22   26   27   30   33   38   40   42   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     V    50_F     V    50_A     26   31   53     17   22   26   27   30   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     T    51_F     T    51_A     26   31   53     17   22   26   27   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     E    52_F     E    52_A     26   31   53     16   22   26   27   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     V    53_F     V    53_A     26   31   53      8   22   26   27   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     L    54_F     L    54_A     26   31   53      8   15   26   27   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     N    55_F     N    55_A     26   31   53      8   17   26   27   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     N    56_F     N    56_A     26   31   53      8   16   26   27   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     M    57_F     M    57_A     26   31   53      8   15   19   27   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     A    58_F     A    58_A     13   31   53      8   15   18   24   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     K    59_F     K    59_A     13   31   53      7   15   18   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     G    60_F     G    60_A     13   31   53      8   15   18   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     F    61_F     F    61_A     13   31   53      4   10   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     R    62_F     R    62_A     13   26   53      4   12   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     D    63_F     D    63_A     13   26   53      7   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     A    64_F     A    64_A     13   26   53      7   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     Q    65_F     Q    65_A     13   26   53      7   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     N    66_F     N    66_A     13   26   53      7   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     P    67_F     P    67_A     13   26   53      5   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     P    68_F     P    68_A     13   26   53      4    8   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     S    69_F     S    69_A     13   26   53      4   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     S    70_F     S    70_A     13   26   53      5   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     F    71_F     F    71_A     13   26   53      6   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     T    72_F     T    72_A     13   26   53      7   13   17   26   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     L    73_F     L    73_A     13   26   53      1   10   17   22   30   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     G    74_F     G    74_A     11   26   53      1    5   12   19   25   29   37   40   42   45   47   52   58   64   67   71   73   77   81   83 
LCS_GDT     G    75_F     G    75_A      4   16   50      3    4    5    6   12   15   20   23   30   36   38   45   48   50   56   62   65   68   74   81 
LCS_GDT     H    76_F     H    76_A      4    6   46      3    4    5    6    8   11   14   18   20   23   28   34   44   46   49   53   57   63   68   69 
LCS_GDT     C    77_F     C    77_A      4    5   35      3    4    5    5   10   13   18   21   24   29   35   39   44   47   50   54   57   63   66   69 
LCS_GDT     Q    78_F     Q    78_A      4    5   34      3    4    5    7    9   11   13   13   18   20   24   25   32   45   50   53   57   59   64   69 
LCS_GDT     A    79_F     A    79_A      4    6   33      3    4    5    5    7    7    9   11   14   17   23   24   26   45   50   53   57   59   62   69 
LCS_GDT     P    80_F     P    80_A      4    6   32      3    3    5    5    5    7    9   11   14   17   23   24   26   29   32   33   36   39   43   47 
LCS_GDT     L    81_F     L    81_A      3    6   31      3    3    3    4    6    9   10   11   14   17   23   24   26   29   32   34   53   59   62   65 
LCS_GDT     N    82_F     N    82_A      3    6   19      3    3    3    4    5    7    9   19   29   36   39   42   47   49   55   60   69   74   78   82 
LCS_GDT     A    83_F     A    83_A      3    6   19      1    3    3    6   13   25   35   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     F    84_F     F    84_A      3    6   19      0    3    3    4   19   32   38   40   43   46   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     S    85_F     S    85_A      5    8   19      3    5    8   23   31   35   38   40   43   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     F    86_F     F    86_A      6    8   19      4    5    6   10   12   12   26   26   35   40   48   55   61   65   68   71   73   77   81   83 
LCS_GDT     V    87_F     V    87_A      6    8   26      4    5   11   14   15   15   15   16   17   19   22   32   36   39   42   46   55   61   67   77 
LCS_GDT     L    88_F     L    88_A      6    8   26      4    5    6    7    8   11   16   16   19   19   21   23   26   29   32   33   34   35   40   44 
LCS_GDT     P    89_F     P    89_A      6    8   26      4    5    6    7    8    9   10   16   19   19   21   22   26   29   32   33   34   35   40   41 
LCS_GDT     G    90_F     G    90_A      6    8   26      3    5    6    7    8    9   10   10   11   15   16   20   26   29   32   33   34   34   37   39 
LCS_GDT     V    91_F     V    91_A      6    8   26      3    4    6    7    8    9   10   10   10   13   15   20   26   29   32   33   34   35   37   39 
LCS_GDT     N    92_F     N    92_A      6    8   26      3    4    6    7    8    9   10   10   10   12   15   21   26   29   32   33   34   35   39   44 
LCS_GDT     D    93_F     D    93_A      4    5   26      3    4    4    5    5    9   14   16   19   19   23   24   25   30   34   38   48   52   55   62 
LCS_GDT     R    94_F     R    94_A      4    5   26      3    4    4    5    5    7    9   11   14   18   23   24   29   40   42   43   48   56   62   73 
LCS_GDT     A    95_F     A    95_A      3   13   26      3    3    4    5   10   11   14   16   19   19   21   22   22   22   24   33   34   37   39   44 
LCS_GDT     T    96_F     T    96_A      3   16   26      3    3    4    5    6   14   16   16   19   19   21   22   22   25   30   42   52   60   71   75 
LCS_GDT     V    97_F     V    97_A     13   16   26      5    8   11   14   15   15   16   16   19   19   26   37   54   58   67   71   73   77   81   83 
LCS_GDT     A    98_F     A    98_A     13   16   26      7   10   13   14   15   15   16   16   19   19   25   38   51   58   63   65   70   77   81   83 
LCS_GDT     T    99_F     T    99_A     13   16   26      7   10   13   14   15   15   16   16   19   21   39   44   51   58   63   65   71   76   81   83 
LCS_GDT     A   100_F     A   100_A     13   16   26      7   10   13   14   15   15   16   23   31   35   39   44   56   58   66   70   73   77   81   83 
LCS_GDT     D   101_F     D   101_A     13   16   26      7   10   13   14   15   15   16   23   31   35   39   44   56   58   63   70   73   76   81   83 
LCS_GDT     E   102_F     E   102_A     13   16   26      7   10   13   14   15   15   16   23   31   35   46   50   58   65   67   71   73   77   81   83 
LCS_GDT     A   103_F     A   103_A     13   16   26      7   10   13   14   15   15   22   30   38   46   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     K   104_F     K   104_A     13   16   26      7   10   13   14   15   15   19   25   35   46   51   55   61   65   67   71   73   77   81   83 
LCS_GDT     K   105_F     K   105_A     13   16   26      6   10   13   14   15   16   22   34   42   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     W   106_F     W   106_A     13   16   26      4   10   13   14   15   15   26   32   42   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     E   107_F     E   107_A     13   16   26      4   10   13   14   15   15   21   31   37   47   51   55   61   65   68   71   73   77   81   83 
LCS_GDT     N   108_F     N   108_A     13   16   26      3    9   13   14   15   15   16   20   24   29   40   49   54   59   66   67   73   77   81   83 
LCS_GDT     C   109_F     C   109_A     13   16   26      3    9   13   14   15   15   16   18   24   29   38   49   54   59   66   67   73   77   81   83 
LCS_GDT     D   110_F     D   110_A      3   16   26      0    3    3    5    7   12   15   16   17   19   21   32   39   46   51   60   64   67   71   73 
LCS_GDT     A   111_F     A   111_A      3   16   26      0    4   13   14   15   15   16   16   19   19   21   24   29   39   48   51   64   67   68   72 
LCS_GDT     T   112_F     T   112_A      4    4   26      3    3    4    5    5    8   10   12   16   19   21   24   29   34   38   54   64   67   68   72 
LCS_GDT     L   113_F     L   113_A      4    4   22      3    3    4    5    5    7    9   11   13   16   21   24   29   32   36   41   57   59   59   70 
LCS_GDT     T   114_F     T   114_A      4    4   20      3    3    4    5    5    7    9   11   13   14   16   17   19   20   24   27   32   33   35   41 
LCS_GDT     G   115_F     G   115_A      4    4   10      2    3    4    5    5    7    9   11   13   14   16   17   19   20   24   27   29   30   35   41 
LCS_GDT     L   116_F     L   116_A      3    4   10      0    3    3    4    7    9   10   11   13   14   16   17   20   21   25   30   32   33   35   41 
LCS_GDT     Q   117_F     Q   117_A      3    4   10      0    3    3    4    7    9   10   11   13   14   16   17   20   21   25   27   29   30   34   36 
LCS_GDT     R   118_F     R   118_A      3    3   10      3    3    3    4    7    9   10   11   13   14   16   17   20   21   25   26   28   29   34   36 
LCS_GDT     I   119_F     I   119_A      3    3   10      3    3    3    3    3    5    7    7   13   14   16   17   20   21   25   26   28   29   34   36 
LCS_GDT     I   120_F     I   120_A      3    3   10      3    3    3    3    3    5    5    7    8   14   16   17   19   20   21   26   28   29   34   36 
LCS_AVERAGE  LCS_A:  18.04  (   9.19   13.53   31.39 )

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     17     22     26     27     31     35     38     40     43     47     51     55     61     65     68     71     73     77     81     83 
GDT PERCENT_AT  13.71  17.74  20.97  21.77  25.00  28.23  30.65  32.26  34.68  37.90  41.13  44.35  49.19  52.42  54.84  57.26  58.87  62.10  65.32  66.94
GDT RMS_LOCAL    0.28   0.42   0.88   1.01   1.73   1.92   2.10   2.24   2.64   3.30   3.52   4.01   4.44   4.63   4.91   5.08   5.22   5.59   5.77   5.92
GDT RMS_ALL_AT  16.49  16.48  16.54  16.54  12.35  12.39  12.38  12.43  12.46  12.41  12.42  12.15  12.05  12.06  11.98  11.99  11.99  12.01  12.05  12.04

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  E   107_F      E   107_A
#   possible swapping detected:  D   110_F      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     6.184     0    0.596   0.765     8.019   11.905   12.738
LGA    F     2_F      F     2_A     7.204     0    0.639   1.515     7.533   11.071   12.424
LGA    T     3_F      T     3_A     9.138     0    0.060   1.092    11.312    2.262    1.293
LGA    G     4_F      G     4_A    10.931     0    0.655   0.655    10.931    0.357    0.357
LGA    W     5_F      W     5_A    10.610     0    0.007   0.880    11.466    0.000    1.769
LGA    S     6_F      S     6_A    11.237     0    0.062   0.226    11.296    0.357    0.238
LGA    P     7_F      P     7_A    11.040     0    0.122   0.178    13.037    0.000    0.000
LGA    F     8_F      F     8_A     8.720     0    0.609   1.340    12.040    1.190   12.987
LGA    K     9_F      K     9_A     9.318     0    0.259   0.961    16.000    3.571    1.587
LGA    Y    10_F      Y    10_A     9.344     0    0.016   1.269    14.470    0.476    0.714
LGA    S    11_F      S    11_A    12.035     0    0.617   0.894    13.760    0.119    0.079
LGA    K    12_F      K    12_A     8.013     0    0.202   0.930    12.021   15.714    7.460
LGA    G    13_F      G    13_A     0.666     0    0.111   0.111     3.406   65.833   65.833
LGA    N    14_F      N    14_A     5.140     0    0.587   0.572    11.652   42.381   22.440
LGA    T    15_F      T    15_A     3.265     0    0.272   0.262     4.734   48.452   42.789
LGA    V    16_F      V    16_A     2.310     0    0.147   0.167     3.153   66.786   62.721
LGA    T    17_F      T    17_A     1.954     0    0.067   0.083     2.270   66.786   69.388
LGA    F    18_F      F    18_A     2.152     0    0.132   1.185     5.182   70.952   56.450
LGA    K    19_F      K    19_A     1.553     0    0.115   0.787     5.087   75.119   63.704
LGA    T    20_F      T    20_A     2.820     0    0.127   0.203     4.807   59.048   48.844
LGA    P    21_F      P    21_A     3.371     0    0.445   0.426     6.657   37.976   43.129
LGA    D    22_F      D    22_A     5.948     0    0.620   1.301     8.782   16.429   29.345
LGA    E    23_F      E    23_A     9.305     0    0.334   0.703    17.516    2.500    1.111
LGA    S    24_F      S    24_A     8.710     0    0.544   0.889    10.431    2.262    4.921
LGA    S    25_F      S    25_A     9.334     0    0.581   0.900    10.705    3.929    2.698
LGA    I    26_F      I    26_A     6.411     0    0.173   1.232     7.351   13.452   21.429
LGA    A    27_F      A    27_A     7.632     0    0.066   0.072     8.393    7.857    7.238
LGA    Y    28_F      Y    28_A     7.485     0    0.065   0.459    10.195   11.667    5.556
LGA    M    29_F      M    29_A     5.633     0    0.010   0.638     6.226   19.286   34.405
LGA    R    30_F      R    30_A     5.580     0    0.442   1.419    16.576   23.929   10.346
LGA    F    31_F      F    31_A     3.180     0    0.427   0.593     3.663   46.667   48.788
LGA    R    32_F      R    32_A     4.513     0    0.578   1.396    10.575   28.333   17.013
LGA    N    33_F      N    33_A     2.505     0    0.090   0.414     5.020   60.952   50.833
LGA    C    34_F      C    34_A     2.477     0    0.028   0.858     2.811   66.786   67.619
LGA    V    35_F      V    35_A     3.749     0    0.037   0.054     5.314   37.738   41.224
LGA    F    36_F      F    36_A     6.719     0    0.015   0.194    10.716   13.452    7.056
LGA    T    37_F      T    37_A     9.569     0    0.029   0.125    11.161    0.833    1.701
LGA    F    38_F      F    38_A    12.770     0    0.025   0.089    13.741    0.000    0.000
LGA    T    39_F      T    39_A    15.895     0    0.108   1.051    17.168    0.000    0.000
LGA    D    40_F      D    40_A    18.056     0    0.014   0.061    19.411    0.000    0.000
LGA    P    41_F      P    41_A    21.272     0    0.035   0.146    22.472    0.000    0.000
LGA    K    42_F      K    42_A    21.609     0    0.035   0.326    23.422    0.000    0.000
LGA    G    43_F      G    43_A    19.345     0    0.047   0.047    20.040    0.000    0.000
LGA    S    44_F      S    44_A    17.152     0    0.032   0.721    18.155    0.000    0.000
LGA    L    45_F      L    45_A    14.063     0    0.026   0.637    15.201    0.000    0.000
LGA    H    46_F      H    46_A    11.874     0    0.019   0.088    15.780    0.000    0.000
LGA    S    47_F      S    47_A     8.477     0    0.115   0.667     9.900    4.286    4.127
LGA    I    48_F      I    48_A     6.792     0    0.068   1.230    10.613   20.238   14.464
LGA    D    49_F      D    49_A     3.494     0    0.029   0.236     4.717   43.690   48.750
LGA    V    50_F      V    50_A     2.496     0    0.031   0.105     4.423   66.905   57.823
LGA    T    51_F      T    51_A     1.005     0    0.031   0.086     2.866   83.690   76.803
LGA    E    52_F      E    52_A     2.312     0    0.027   1.051     8.471   70.833   43.333
LGA    V    53_F      V    53_A     1.963     0    0.027   0.039     3.407   77.143   66.531
LGA    L    54_F      L    54_A     1.503     0    0.063   0.138     2.559   77.143   71.012
LGA    N    55_F      N    55_A     1.647     0    0.021   0.084     2.799   77.143   68.095
LGA    N    56_F      N    56_A     1.077     0    0.045   0.060     3.019   88.214   74.702
LGA    M    57_F      M    57_A     1.739     0    0.037   1.152     8.486   72.976   51.786
LGA    A    58_F      A    58_A     2.170     0    0.018   0.024     2.613   68.810   66.476
LGA    K    59_F      K    59_A     1.125     0    0.132   1.314     8.641   85.952   58.413
LGA    G    60_F      G    60_A     1.316     0    0.186   0.186     2.445   77.381   77.381
LGA    F    61_F      F    61_A     2.165     0    0.247   1.259     8.435   72.976   41.732
LGA    R    62_F      R    62_A     1.488     0    0.127   1.536     6.493   79.524   55.931
LGA    D    63_F      D    63_A     1.866     0    0.156   0.244     2.773   72.857   66.905
LGA    A    64_F      A    64_A     1.519     0    0.028   0.039     1.580   75.000   76.286
LGA    Q    65_F      Q    65_A     1.592     0    0.174   1.004     6.253   79.405   55.820
LGA    N    66_F      N    66_A     1.470     0    0.057   0.968     4.657   77.143   69.881
LGA    P    67_F      P    67_A     1.185     0    0.059   0.340     1.239   81.429   84.014
LGA    P    68_F      P    68_A     1.813     0    0.121   0.383     2.377   79.286   74.218
LGA    S    69_F      S    69_A     1.961     0    0.106   0.119     3.277   70.833   65.079
LGA    S    70_F      S    70_A     1.528     0    0.076   0.471     1.770   75.000   74.286
LGA    F    71_F      F    71_A     1.160     0    0.212   1.247     4.927   81.429   64.978
LGA    T    72_F      T    72_A     0.888     0    0.305   0.334     1.826   83.810   82.857
LGA    L    73_F      L    73_A     2.271     0    0.414   0.487     4.535   56.905   55.595
LGA    G    74_F      G    74_A     4.123     0    0.550   0.550     5.571   35.000   35.000
LGA    G    75_F      G    75_A     9.519     0    0.483   0.483    12.060    1.905    1.905
LGA    H    76_F      H    76_A    12.196     0    0.648   1.005    12.646    0.000    0.000
LGA    C    77_F      C    77_A    12.760     0    0.616   0.964    13.022    0.000    0.000
LGA    Q    78_F      Q    78_A    14.020     0    0.178   0.857    19.134    0.000    0.000
LGA    A    79_F      A    79_A    13.967     0    0.020   0.022    14.671    0.000    0.000
LGA    P    80_F      P    80_A    16.172     0    0.565   0.668    18.708    0.000    0.000
LGA    L    81_F      L    81_A    12.937     0    0.149   1.418    15.378    0.000    0.000
LGA    N    82_F      N    82_A    10.021     0    0.634   1.096    14.932    3.571    1.786
LGA    A    83_F      A    83_A     5.864     0    0.622   0.557     6.987   37.738   33.619
LGA    F    84_F      F    84_A     3.427     0    0.626   1.257    10.215   50.357   21.818
LGA    S    85_F      S    85_A     2.878     0    0.653   0.914     4.445   55.357   49.286
LGA    F    86_F      F    86_A     7.013     0    0.051   1.246    10.544    7.976   35.455
LGA    V    87_F      V    87_A    13.607     0    0.042   0.054    16.955    0.000    0.000
LGA    L    88_F      L    88_A    19.765     0    0.199   1.344    23.045    0.000    0.000
LGA    P    89_F      P    89_A    24.826     0    0.661   0.588    28.449    0.000    0.000
LGA    G    90_F      G    90_A    30.047     0    0.114   0.114    31.893    0.000    0.000
LGA    V    91_F      V    91_A    27.540     0    0.575   1.407    28.839    0.000    0.000
LGA    N    92_F      N    92_A    22.275     0    0.213   1.228    24.218    0.000    0.000
LGA    D    93_F      D    93_A    17.324     0    0.516   0.709    20.234    0.000    0.000
LGA    R    94_F      R    94_A    14.379     0    0.534   1.154    15.287    0.000    0.000
LGA    A    95_F      A    95_A    16.654     0    0.622   0.585    17.800    0.000    0.000
LGA    T    96_F      T    96_A    14.435     0    0.593   0.554    15.255    0.000    0.000
LGA    V    97_F      V    97_A    10.699     0    0.562   0.531    11.441    0.000    1.156
LGA    A    98_F      A    98_A    12.121     0    0.419   0.436    13.106    0.000    0.000
LGA    T    99_F      T    99_A    13.037     0    0.039   0.073    15.043    0.000    0.000
LGA    A   100_F      A   100_A    13.284     0    0.005   0.014    14.928    0.000    0.000
LGA    D   101_F      D   101_A    12.700     0    0.021   0.781    16.409    0.000    0.000
LGA    E   102_F      E   102_A     9.572     0    0.033   1.302    13.436    1.548    0.899
LGA    A   103_F      A   103_A     9.014     0    0.039   0.047     9.489    1.429    1.429
LGA    K   104_F      K   104_A    10.765     0    0.078   0.378    14.837    0.000    0.000
LGA    K   105_F      K   105_A     8.734     0    0.064   0.765     9.255    2.500    7.143
LGA    W   106_F      W   106_A     9.071     0    0.035   0.486    10.586    1.071    2.381
LGA    E   107_F      E   107_A    11.825     0    0.622   0.794    15.657    0.000    0.000
LGA    N   108_F      N   108_A    15.628     0    0.065   0.121    17.168    0.000    0.000
LGA    C   109_F      C   109_A    14.747     0    0.578   0.512    15.754    0.000    0.000
LGA    D   110_F      D   110_A    19.373     0    0.653   1.285    22.483    0.000    0.000
LGA    A   111_F      A   111_A    19.469     0    0.639   0.600    19.846    0.000    0.000
LGA    T   112_F      T   112_A    18.146     0    0.678   0.622    19.159    0.000    0.000
LGA    L   113_F      L   113_A    17.967     0    0.627   0.788    21.076    0.000    0.000
LGA    T   114_F      T   114_A    24.831     0    0.146   1.134    28.630    0.000    0.000
LGA    G   115_F      G   115_A    25.855     0    0.711   0.711    26.086    0.000    0.000
LGA    L   116_F      L   116_A    24.321     0    0.630   1.272    26.191    0.000    0.000
LGA    Q   117_F      Q   117_A    25.732     0    0.650   1.395    29.261    0.000    0.000
LGA    R   118_F      R   118_A    28.935     0    0.632   1.109    30.237    0.000    0.000
LGA    I   119_F      I   119_A    25.691     0    0.634   0.613    27.366    0.000    0.000
LGA    I   120_F      I   120_A    27.138     0    0.646   1.334    30.410    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      120     480    480  100.00     931    931  100.00               124
SUMMARY(RMSD_GDC):    11.826         11.848                 11.881           24.475   21.914

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  124    4.0     40    2.24    32.258    27.915     1.707

LGA_LOCAL      RMSD:   2.243  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.428  Number of assigned atoms:  120 
Std_ASGN_ATOMS RMSD:  11.826  Standard rmsd on all 120 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.282672 * X  +  -0.955068 * Y  +   0.089112 * Z  + -46.168056
  Y_new =   0.528497 * X  +  -0.232597 * Y  +  -0.816449 * Z  +   8.917116
  Z_new =   0.800492 * X  +  -0.183692 * Y  +   0.570499 * Z  +  10.848203 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.061941 -0.928116 -0.311502   [DEG:  118.1405  -53.1771  -17.8477 ]
ZXZ:  0.108715  0.963683  1.796365   [DEG:    6.2289   55.2150  102.9241 ]
 
# END of job
