
#######################################################
#                                                     #
#                        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  126 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , 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:    81       4_A - 84_A        4.92    20.17
  LONGEST_CONTINUOUS_SEGMENT:    81       5_A - 85_A        4.97    20.04
  LCS_AVERAGE:     51.33

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      23_A - 67_A        1.94    20.55
  LONGEST_CONTINUOUS_SEGMENT:    45      24_A - 68_A        1.94    20.54
  LCS_AVERAGE:     19.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      26_A - 63_A        0.90    20.63
  LONGEST_CONTINUOUS_SEGMENT:    38      27_A - 64_A        0.95    20.61
  LCS_AVERAGE:     13.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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      7    8   14      5    6    7    7    8    8    8    9    9    9   10   12   12   18   20   20   22   24   24   30 
LCS_GDT     F     2_F     F     2_A      7    8   77      5    6    7    7    8    8    8    9    9   10   10   12   15   18   20   47   58   60   65   70 
LCS_GDT     T     3_F     T     3_A      7    8   80      5    6    7    7    8    8    8    9   14   16   18   33   41   49   49   55   61   68   72   73 
LCS_GDT     G     4_F     G     4_A      7    8   81      5    6    7    7    8   11   16   31   36   41   48   57   61   66   71   73   74   79   81   82 
LCS_GDT     W     5_F     W     5_A      7    8   81      5   11   15   19   25   31   40   44   49   58   64   67   70   72   73   76   79   80   85   86 
LCS_GDT     S     6_F     S     6_A      7    9   81      4    6    7   16   32   37   42   46   56   62   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     P     7_F     P     7_A      7   10   81      4    6    7    8    9   12   14   15   22   30   35   63   70   72   73   76   79   80   85   86 
LCS_GDT     F     8_F     F     8_A      6   10   81      4    5    7    8    9   12   14   46   58   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     K     9_F     K     9_A      6   10   81      4    5    7    8   10   14   21   26   31   35   47   66   70   72   73   76   79   80   85   86 
LCS_GDT     Y    10_F     Y    10_A      6   10   81      4    6    9   11   12   20   29   55   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     S    11_F     S    11_A      6   10   81      3    5    7    8    9   12   14   17   22   35   58   66   70   72   72   76   79   80   85   86 
LCS_GDT     K    12_F     K    12_A      6   10   81      3    5    7    8    9   14   18   20   26   51   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     G    13_F     G    13_A      6   12   81      3    5   10   22   32   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     N    14_F     N    14_A      6   13   81      4   11   15   25   32   38   45   50   54   62   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     T    15_F     T    15_A      6   13   81      7   11   16   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     V    16_F     V    16_A      6   13   81      7   11   15   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     T    17_F     T    17_A      6   13   81      3   11   14   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     F    18_F     F    18_A      6   13   81      7   11   16   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     K    19_F     K    19_A      6   13   81      3    7   13   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     T    20_F     T    20_A      6   14   81      3    6   13   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     P    21_F     P    21_A      6   14   81      3    5   10   21   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     D    22_F     D    22_A      6   14   81      3    5    7   12   17   39   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     E    23_F     E    23_A      5   45   81      3    5    7   11   13   23   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     S    24_F     S    24_A      4   45   81      3    4    9   29   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     S    25_F     S    25_A      6   45   81      4    6   12   17   25   38   39   42   53   60   64   67   70   72   73   76   79   80   85   86 
LCS_GDT     I    26_F     I    26_A     38   45   81      4    8   20   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     A    27_F     A    27_A     38   45   81     12   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     Y    28_F     Y    28_A     38   45   81      8   27   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     M    29_F     M    29_A     38   45   81     13   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     R    30_F     R    30_A     38   45   81     17   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     F    31_F     F    31_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     R    32_F     R    32_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     N    33_F     N    33_A     38   45   81     26   32   36   36   40   43   50   56   59   63   65   67   70   72   73   76   79   80   84   86 
LCS_GDT     C    34_F     C    34_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     V    35_F     V    35_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     F    36_F     F    36_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     T    37_F     T    37_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     F    38_F     F    38_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     T    39_F     T    39_A     38   45   81     26   32   36   36   40   43   49   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     D    40_F     D    40_A     38   45   81     26   32   36   36   40   43   48   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     P    41_F     P    41_A     38   45   81     26   32   36   36   40   43   45   52   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     K    42_F     K    42_A     38   45   81     26   32   36   36   40   43   48   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     G    43_F     G    43_A     38   45   81     26   32   36   36   40   43   49   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     S    44_F     S    44_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     L    45_F     L    45_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     H    46_F     H    46_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     S    47_F     S    47_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     I    48_F     I    48_A     38   45   81     15   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     D    49_F     D    49_A     38   45   81     21   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     V    50_F     V    50_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     T    51_F     T    51_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     E    52_F     E    52_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     V    53_F     V    53_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     L    54_F     L    54_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     N    55_F     N    55_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     N    56_F     N    56_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     M    57_F     M    57_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     A    58_F     A    58_A     38   45   81     21   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     K    59_F     K    59_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     G    60_F     G    60_A     38   45   81     26   32   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     F    61_F     F    61_A     38   45   81      5   30   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     R    62_F     R    62_A     38   45   81      5   25   36   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     D    63_F     D    63_A     38   45   81      5   11   15   35   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     A    64_F     A    64_A     38   45   81      7   11   28   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     Q    65_F     Q    65_A     14   45   81      7   11   28   36   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     N    66_F     N    66_A     14   45   81      7   11   16   29   39   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     P    67_F     P    67_A     14   45   81      7   11   16   29   40   43   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     P    68_F     P    68_A     14   45   81      5   11   16   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     S    69_F     S    69_A     14   28   81      5   11   16   25   33   40   49   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     S    70_F     S    70_A     14   28   81      5   11   16   25   33   40   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     F    71_F     F    71_A     14   28   81      5   11   16   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     T    72_F     T    72_A     14   28   81      4   11   16   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     L    73_F     L    73_A     14   28   81      5   11   16   26   33   42   50   57   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     G    74_F     G    74_A     14   28   81      5   11   15   22   32   37   47   52   58   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     G    75_F     G    75_A      3   23   81      3    4    9   15   23   33   44   53   59   63   65   67   70   72   73   76   79   80   85   86 
LCS_GDT     H    76_F     H    76_A      5    9   81      3    5    7    7   11   17   24   37   46   56   62   65   69   72   73   76   79   80   85   86 
LCS_GDT     C    77_F     C    77_A      5    9   81      3    5    7    8   11   15   21   26   32   45   51   54   62   67   73   76   79   80   85   86 
LCS_GDT     Q    78_F     Q    78_A      5    9   81      3    5    7    8    9   12   14   18   24   30   43   52   54   62   67   71   79   80   85   86 
LCS_GDT     A    79_F     A    79_A      5    9   81      3    5    7    8    9   12   14   18   24   35   45   53   60   64   71   76   79   80   85   86 
LCS_GDT     P    80_F     P    80_A      5    9   81      3    5    7    7    9   10   14   15   16   24   35   50   61   67   71   76   79   80   85   86 
LCS_GDT     L    81_F     L    81_A      4    9   81      3    4    4    6   11   16   22   45   59   61   65   67   69   72   73   76   79   80   85   86 
LCS_GDT     N    82_F     N    82_A      4    9   81      3    3    7    7    9   12   18   23   29   45   45   62   65   68   73   76   79   80   85   86 
LCS_GDT     A    83_F     A    83_A      4    9   81      0    5    7    9   13   17   21   23   39   40   43   44   60   63   69   76   79   80   85   86 
LCS_GDT     F    84_F     F    84_A      3    9   81      0    3    5    8   11   14   19   21   26   29   32   38   41   46   54   62   71   80   85   86 
LCS_GDT     S    85_F     S    85_A     10   12   81      7   10   10   11   12   13   19   21   22   27   32   38   41   46   52   60   67   76   85   86 
LCS_GDT     F    86_F     F    86_A     10   12   77      3   10   10   11   12   14   16   21   26   31   33   38   42   49   56   65   76   80   85   86 
LCS_GDT     V    87_F     V    87_A     10   12   36      7   10   10   11   12   13   15   20   23   27   32   37   41   42   47   53   57   65   72   79 
LCS_GDT     L    88_F     L    88_A     10   12   35      7   10   10   12   14   16   19   21   23   23   28   31   37   41   46   48   51   54   60   68 
LCS_GDT     P    89_F     P    89_A     10   12   33      7   10   10   11   12   15   19   21   23   23   26   30   36   40   43   46   48   52   55   58 
LCS_GDT     G    90_F     G    90_A     10   12   30      7   10   10   11   12   13   13   15   17   20   23   28   32   34   38   41   45   48   51   54 
LCS_GDT     V    91_F     V    91_A     10   12   30      7   10   10   11   12   13   13   16   18   20   23   25   31   34   36   39   44   47   51   54 
LCS_GDT     N    92_F     N    92_A     10   12   30      7   10   10   11   12   13   13   15   17   19   23   28   32   37   40   42   46   49   51   54 
LCS_GDT     D    93_F     D    93_A     10   12   30      3   10   10   11   13   16   19   21   23   23   24   28   35   37   40   44   46   49   51   54 
LCS_GDT     R    94_F     R    94_A     10   12   30      5   10   10   11   12   13   18   21   23   23   24   25   28   33   38   41   44   47   51   54 
LCS_GDT     A    95_F     A    95_A      3   16   30      3    3    8   12   14   17   19   21   23   23   24   28   35   37   40   42   46   49   51   54 
LCS_GDT     T    96_F     T    96_A      3   16   30      3    4   10   13   13   17   19   21   23   23   24   27   31   36   39   41   45   48   51   54 
LCS_GDT     V    97_F     V    97_A      3   16   30      3    3    4    4    7   11   15   20   23   23   24   25   25   26   30   34   38   40   44   47 
LCS_GDT     A    98_F     A    98_A     12   16   30      3    6    8   12   13   17   19   21   23   23   24   25   25   26   27   29   32   36   40   46 
LCS_GDT     T    99_F     T    99_A     12   16   30      4   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   33   35   38 
LCS_GDT     A   100_F     A   100_A     12   16   30      4   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   33   35   38 
LCS_GDT     D   101_F     D   101_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   33   35   38 
LCS_GDT     E   102_F     E   102_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   33   35   38 
LCS_GDT     A   103_F     A   103_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   32   35   38 
LCS_GDT     K   104_F     K   104_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   29   31   35   38 
LCS_GDT     K   105_F     K   105_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   29   31   35   38 
LCS_GDT     W   106_F     W   106_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   32   35   38 
LCS_GDT     E   107_F     E   107_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   32   35   38 
LCS_GDT     N   108_F     N   108_A     12   16   30      4    7   11   13   14   17   19   21   23   23   24   25   25   26   27   28   29   31   35   38 
LCS_GDT     C   109_F     C   109_A     12   16   30      5   10   11   13   14   17   19   21   23   23   24   25   25   26   27   28   30   32   35   38 
LCS_GDT     D   110_F     D   110_A      3   16   30      0    3    3   13   14   17   19   21   23   23   24   25   25   26   27   28   30   32   35   38 
LCS_GDT     A   111_F     A   111_A      3   16   30      0    3    4    5   13   17   19   21   23   23   24   25   25   26   27   28   30   32   35   38 
LCS_GDT     T   112_F     T   112_A      3   15   30      0    3    4    6   13   17   19   21   23   23   24   25   25   26   27   28   30   32   35   38 
LCS_GDT     L   113_F     L   113_A      3    3   30      1    3    4    4    4    5    7   17   23   23   24   25   25   26   27   28   30   32   37   41 
LCS_GDT     T   114_F     T   114_A      3    3   30      0    3    4    4    4    5    5    8    9   11   23   25   25   26   27   28   29   35   39   42 
LCS_GDT     G   115_F     G   115_A      3    3   30      0    3    4    4    4    5    6    8    9   18   24   25   25   26   27   30   34   38   40   44 
LCS_GDT     L   116_F     L   116_A      3    3   30      0    3    4    4    4    4    9    9   10   15   20   26   28   30   35   52   65   69   85   86 
LCS_GDT     Q   117_F     Q   117_A      3    3   26      0    3    3    3    4    4    5    6    8   15   18   24   28   31   46   53   63   70   85   86 
LCS_GDT     R   118_F     R   118_A      3    3    9      0    3    3    3    4    4    4    6    7   11   18   24   28   31   46   56   73   78   85   86 
LCS_GDT     I   119_F     I   119_A      3    3    9      3    4    4    4    4    4    4    9    9   30   38   52   61   69   72   76   79   80   85   86 
LCS_GDT     I   120_F     I   120_A      3    3    9      3    3    3    3    3    4    5   17   20   34   37   42   50   60   65   72   77   79   81   85 
LCS_GDT     H   121_F     H   121_A      3    3    9      3    3    3    3    3    4    5   16   16   20   27   42   48   55   59   65   72   73   81   84 
LCS_GDT     H   122_F     H   122_A      3    3    9      0    3    3    3    3    4    9   16   16   20   23   33   48   55   59   64   72   73   75   79 
LCS_GDT     H   123_F     H   123_A      3    3    9      0    3    3    3    3    4    5    5    7   14   18   27   36   41   50   59   66   71   73   76 
LCS_GDT     H   124_F     H   124_A      3    3    9      0    3    3    3    3    3    4    5    6    8    9   11   13   25   30   36   41   44   48   70 
LCS_AVERAGE  LCS_A:  28.26  (  13.77   19.68   51.33 )

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     26     32     36     36     40     43     50     57     59     63     65     67     70     72     73     76     79     80     85     86 
GDT PERCENT_AT  20.97  25.81  29.03  29.03  32.26  34.68  40.32  45.97  47.58  50.81  52.42  54.03  56.45  58.06  58.87  61.29  63.71  64.52  68.55  69.35
GDT RMS_LOCAL    0.35   0.49   0.71   0.71   1.14   1.56   2.43   2.74   2.80   3.06   3.20   3.33   3.59   3.72   3.87   4.21   4.56   4.68   5.57   5.58
GDT RMS_ALL_AT  20.59  20.62  20.62  20.62  20.59  20.54  20.74  20.60  20.60  20.55  20.58  20.58  20.58  20.58  20.46  20.33  20.19  20.15  19.61  19.65

# Checking swapping
#   possible swapping detected:  Y    10_F      Y    10_A
#   possible swapping detected:  F    18_F      F    18_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  E   107_F      E   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    23.921     0    0.066   0.857    27.759    0.000    0.000
LGA    F     2_F      F     2_A    18.670     0    0.057   1.254    20.384    0.000    0.000
LGA    T     3_F      T     3_A    17.042     0    0.250   1.084    20.625    0.000    0.000
LGA    G     4_F      G     4_A    12.218     0    0.222   0.222    13.949    0.000    0.000
LGA    W     5_F      W     5_A     8.788     0    0.027   1.181    13.930    6.667    3.197
LGA    S     6_F      S     6_A     6.547     0    0.064   0.209     7.742   13.452   11.349
LGA    P     7_F      P     7_A     7.556     0    0.527   0.536     9.244    9.762    7.415
LGA    F     8_F      F     8_A     6.033     0    0.172   1.270     7.125   14.405   33.593
LGA    K     9_F      K     9_A     8.184     0    0.039   0.361    18.510   10.357    4.603
LGA    Y    10_F      Y    10_A     5.397     0    0.112   0.900     9.425   12.738   27.024
LGA    S    11_F      S    11_A     8.414     0    0.171   0.243    10.266   15.714   10.556
LGA    K    12_F      K    12_A     6.408     0    0.088   0.602    12.085   20.000   10.635
LGA    G    13_F      G    13_A     2.319     0    0.668   0.668     3.288   53.690   53.690
LGA    N    14_F      N    14_A     6.674     0    0.563   0.485    13.064   22.976   11.667
LGA    T    15_F      T    15_A     4.073     0    0.060   0.253     4.838   37.262   37.211
LGA    V    16_F      V    16_A     2.671     0    0.048   0.074     3.078   59.167   62.721
LGA    T    17_F      T    17_A     2.819     0    0.057   0.078     3.250   57.143   54.082
LGA    F    18_F      F    18_A     2.641     0    0.043   1.179     4.979   55.357   55.584
LGA    K    19_F      K    19_A     3.469     0    0.161   0.867     4.574   50.000   45.026
LGA    T    20_F      T    20_A     3.438     0    0.020   0.252     3.980   53.571   49.184
LGA    P    21_F      P    21_A     2.411     0    0.031   0.246     3.326   60.952   58.367
LGA    D    22_F      D    22_A     3.705     0    0.598   0.534     6.472   36.905   46.131
LGA    E    23_F      E    23_A     4.046     0    0.247   0.401     6.233   37.619   31.429
LGA    S    24_F      S    24_A     2.430     0    0.602   0.627     4.805   49.167   61.429
LGA    S    25_F      S    25_A     6.294     0    0.629   0.861     9.510   26.548   18.571
LGA    I    26_F      I    26_A     3.902     0    0.128   0.662     4.753   43.690   46.071
LGA    A    27_F      A    27_A     2.680     0    0.059   0.084     3.181   59.167   57.333
LGA    Y    28_F      Y    28_A     2.710     0    0.012   0.355     3.051   57.143   63.175
LGA    M    29_F      M    29_A     3.180     0    0.026   0.925     4.634   53.571   49.464
LGA    R    30_F      R    30_A     3.094     0    0.196   1.459     9.170   46.786   31.342
LGA    F    31_F      F    31_A     2.464     0    0.072   0.071     2.852   60.952   65.584
LGA    R    32_F      R    32_A     3.313     0    0.017   0.898     8.269   50.000   31.775
LGA    N    33_F      N    33_A     3.293     0    0.014   0.082     4.969   53.571   45.417
LGA    C    34_F      C    34_A     2.082     0    0.081   0.104     2.390   68.810   68.810
LGA    V    35_F      V    35_A     1.735     0    0.030   0.042     2.635   72.857   69.456
LGA    F    36_F      F    36_A     1.496     0    0.078   0.181     3.325   81.429   67.489
LGA    T    37_F      T    37_A     1.831     0    0.015   0.048     2.543   66.905   69.456
LGA    F    38_F      F    38_A     2.613     0    0.037   0.051     3.001   60.952   59.264
LGA    T    39_F      T    39_A     3.377     0    0.136   0.997     5.299   45.119   46.122
LGA    D    40_F      D    40_A     4.111     0    0.039   0.074     4.546   37.262   39.524
LGA    P    41_F      P    41_A     5.408     0    0.030   0.155     6.179   26.190   23.605
LGA    K    42_F      K    42_A     4.259     0    0.045   0.339     5.789   40.476   33.810
LGA    G    43_F      G    43_A     3.296     0    0.010   0.010     3.673   53.810   53.810
LGA    S    44_F      S    44_A     2.368     0    0.067   0.145     3.021   62.857   59.762
LGA    L    45_F      L    45_A     1.929     0    0.084   0.416     3.221   70.833   66.012
LGA    H    46_F      H    46_A     1.844     0    0.052   0.090     3.073   72.857   62.762
LGA    S    47_F      S    47_A     1.522     0    0.063   0.704     2.385   68.810   68.810
LGA    I    48_F      I    48_A     2.628     0    0.048   1.242     5.738   64.881   53.155
LGA    D    49_F      D    49_A     2.439     0    0.049   0.243     3.082   60.952   58.155
LGA    V    50_F      V    50_A     1.679     0    0.060   0.098     2.177   77.143   75.374
LGA    T    51_F      T    51_A     1.728     0    0.013   0.048     2.642   72.857   68.299
LGA    E    52_F      E    52_A     2.011     0    0.079   1.101     7.896   72.976   46.032
LGA    V    53_F      V    53_A     1.923     0    0.027   0.105     2.497   72.857   69.388
LGA    L    54_F      L    54_A     1.521     0    0.020   0.078     1.993   77.143   75.000
LGA    N    55_F      N    55_A     1.421     0    0.017   0.122     2.273   81.429   76.131
LGA    N    56_F      N    56_A     1.486     0    0.039   0.083     2.454   77.143   71.964
LGA    M    57_F      M    57_A     2.138     0    0.069   0.943     6.540   66.786   52.440
LGA    A    58_F      A    58_A     2.165     0    0.015   0.014     2.389   66.786   66.381
LGA    K    59_F      K    59_A     1.370     0    0.118   0.833     7.916   72.976   53.439
LGA    G    60_F      G    60_A     2.659     0    0.189   0.189     3.799   55.833   55.833
LGA    F    61_F      F    61_A     3.429     0    0.174   0.319     5.598   51.786   42.987
LGA    R    62_F      R    62_A     2.955     0    0.143   0.848     4.831   55.357   45.671
LGA    D    63_F      D    63_A     2.254     0    0.054   0.259     3.259   64.881   59.226
LGA    A    64_F      A    64_A     1.868     0    0.100   0.110     2.146   68.810   69.619
LGA    Q    65_F      Q    65_A     1.558     0    0.101   0.212     2.071   75.000   73.862
LGA    N    66_F      N    66_A     1.520     0    0.116   0.806     2.654   77.143   71.071
LGA    P    67_F      P    67_A     1.649     0    0.087   0.111     2.687   66.905   64.898
LGA    P    68_F      P    68_A     2.931     0    0.160   0.198     3.811   53.810   57.551
LGA    S    69_F      S    69_A     4.181     0    0.114   0.166     5.458   38.690   34.524
LGA    S    70_F      S    70_A     3.696     0    0.075   0.187     4.271   46.667   43.492
LGA    F    71_F      F    71_A     2.510     0    0.136   1.079     6.845   53.571   42.597
LGA    T    72_F      T    72_A     3.708     0    0.087   0.137     5.339   48.333   39.592
LGA    L    73_F      L    73_A     3.309     0    0.158   0.299     4.925   42.143   53.512
LGA    G    74_F      G    74_A     5.753     0    0.598   0.598     6.863   23.095   23.095
LGA    G    75_F      G    75_A     5.555     0    0.273   0.273     7.147   19.048   19.048
LGA    H    76_F      H    76_A     8.271     0    0.585   1.036    11.380    4.643   21.381
LGA    C    77_F      C    77_A    10.307     0    0.536   0.940    10.307    0.476    0.317
LGA    Q    78_F      Q    78_A    11.631     0    0.032   1.151    15.414    0.000    0.000
LGA    A    79_F      A    79_A    10.636     0    0.054   0.070    10.645    0.476    0.381
LGA    P    80_F      P    80_A     9.251     0    0.270   0.467    11.602    2.024    1.224
LGA    L    81_F      L    81_A     5.788     0    0.188   1.368     6.708   18.333   34.286
LGA    N    82_F      N    82_A     8.828     0    0.692   1.161    12.948    2.619    1.310
LGA    A    83_F      A    83_A    11.088     0    0.688   0.623    12.629    0.119    0.095
LGA    F    84_F      F    84_A    13.620     0    0.647   1.091    18.044    0.000    0.000
LGA    S    85_F      S    85_A    14.168     0    0.670   0.784    15.592    0.000    0.000
LGA    F    86_F      F    86_A    13.721     0    0.074   0.194    17.228    0.000    6.061
LGA    V    87_F      V    87_A    18.669     0    0.034   0.035    21.982    0.000    0.000
LGA    L    88_F      L    88_A    20.725     0    0.017   1.334    25.073    0.000    0.000
LGA    P    89_F      P    89_A    25.339     0    0.038   0.037    27.566    0.000    0.000
LGA    G    90_F      G    90_A    32.129     0    0.030   0.030    34.475    0.000    0.000
LGA    V    91_F      V    91_A    30.604     0    0.050   0.053    31.655    0.000    0.000
LGA    N    92_F      N    92_A    27.996     0    0.057   0.234    28.289    0.000    0.000
LGA    D    93_F      D    93_A    28.923     0    0.288   0.912    33.228    0.000    0.000
LGA    R    94_F      R    94_A    34.050     0    0.446   0.648    39.475    0.000    0.000
LGA    A    95_F      A    95_A    35.830     0    0.546   0.498    37.230    0.000    0.000
LGA    T    96_F      T    96_A    37.531     0    0.656   0.811    40.286    0.000    0.000
LGA    V    97_F      V    97_A    41.630     0    0.144   0.133    43.520    0.000    0.000
LGA    A    98_F      A    98_A    46.599     0    0.660   0.594    50.200    0.000    0.000
LGA    T    99_F      T    99_A    52.142     0    0.029   0.039    53.641    0.000    0.000
LGA    A   100_F      A   100_A    55.269     0    0.046   0.044    57.452    0.000    0.000
LGA    D   101_F      D   101_A    57.486     0    0.071   0.923    63.087    0.000    0.000
LGA    E   102_F      E   102_A    50.928     0    0.027   1.377    53.197    0.000    0.000
LGA    A   103_F      A   103_A    48.771     0    0.046   0.067    50.039    0.000    0.000
LGA    K   104_F      K   104_A    53.829     0    0.037   0.980    61.627    0.000    0.000
LGA    K   105_F      K   105_A    51.356     0    0.053   0.236    55.047    0.000    0.000
LGA    W   106_F      W   106_A    45.424     0    0.127   0.264    47.566    0.000    0.000
LGA    E   107_F      E   107_A    49.066     0    0.079   1.054    56.457    0.000    0.000
LGA    N   108_F      N   108_A    48.471     0    0.099   0.222    54.704    0.000    0.000
LGA    C   109_F      C   109_A    41.988     0    0.613   0.578    44.269    0.000    0.000
LGA    D   110_F      D   110_A    39.588     0    0.695   0.588    40.774    0.000    0.000
LGA    A   111_F      A   111_A    37.128     0    0.690   0.627    38.051    0.000    0.000
LGA    T   112_F      T   112_A    30.246     0    0.688   0.961    32.511    0.000    0.000
LGA    L   113_F      L   113_A    24.569     0    0.644   0.996    26.618    0.000    0.000
LGA    T   114_F      T   114_A    24.359     0    0.664   0.818    27.537    0.000    0.000
LGA    G   115_F      G   115_A    21.000     0    0.539   0.539    21.860    0.000    0.000
LGA    L   116_F      L   116_A    13.922     0    0.637   0.787    16.421    0.000    0.000
LGA    Q   117_F      Q   117_A    13.313     0    0.658   1.080    16.321    0.000    0.000
LGA    R   118_F      R   118_A    13.172     0    0.622   1.536    18.357    0.000    0.000
LGA    I   119_F      I   119_A    10.443     0    0.627   0.582    11.526    0.000    3.810
LGA    I   120_F      I   120_A    13.797     0    0.648   0.548    16.881    0.000    0.000
LGA    H   121_F      H   121_A    15.697     0    0.666   1.005    19.451    0.000    0.000
LGA    H   122_F      H   122_A    17.909     0    0.681   1.535    18.836    0.000    0.000
LGA    H   123_F      H   123_A    20.014     0    0.706   1.279    24.219    0.000    0.000
LGA    H   124_F      H   124_A    25.520     0    0.121   0.965    29.289    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               124
SUMMARY(RMSD_GDC):    16.273         16.208                 16.822           29.768   28.254

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     57    2.74    40.524    35.951     2.010

LGA_LOCAL      RMSD:   2.736  Number of atoms:   57  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.598  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.273  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.972347 * X  +  -0.223898 * Y  +   0.066416 * Z  + -57.021381
  Y_new =   0.045682 * X  +   0.096551 * Y  +   0.994279 * Z  +  12.029607
  Z_new =  -0.229030 * X  +   0.969818 * Y  +  -0.083653 * Z  +   5.492002 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.094646  0.231081  1.656839   [DEG:  177.3102   13.2400   94.9299 ]
ZXZ:  3.074893  1.654547 -0.231909   [DEG:  176.1784   94.7985  -13.2874 ]
 
# END of job
