
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , 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:    90       1_A - 90_A        4.78     5.66
  LCS_AVERAGE:     97.20

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       7_A - 84_A        1.99     6.48
  LCS_AVERAGE:     74.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      50_A - 80_A        0.99     6.72
  LONGEST_CONTINUOUS_SEGMENT:    31      51_A - 81_A        0.98     6.77
  LCS_AVERAGE:     23.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     G     1_A     G     1_A      5    6   90      3    4    5    6    6    6   21   23   45   53   60   75   79   83   83   84   85   86   86   86 
LCS_GDT     H     2_A     H     2_A      5    6   90      3    4    5    6    6    6    9   12   35   53   60   66   79   83   83   84   85   86   86   86 
LCS_GDT     M     3_A     M     3_A      5    6   90      3    4    5    6    8   21   26   40   62   76   80   81   82   83   84   84   85   86   86   86 
LCS_GDT     S     4_A     S     4_A      5    6   90      3    4    5    6   18   38   48   63   74   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G     5_A     G     5_A      5    6   90      3    3    5   11   17   30   43   55   70   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D     6_A     D     6_A      4   75   90      3    4    4    6   28   41   66   73   77   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     N     7_A     N     7_A      4   78   90      3    9   10   29   61   65   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G     8_A     G     8_A      4   78   90     13   31   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G     9_A     G     9_A      7   78   90      3    4   16   29   51   67   72   74   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    10_A     G    10_A     24   78   90      4   13   29   55   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     E    11_A     E    11_A     24   78   90      4   18   30   56   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     R    12_A     R    12_A     24   78   90     12   31   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     R    13_A     R    13_A     24   78   90     15   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     K    14_A     K    14_A     24   78   90     13   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    15_A     G    15_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     S    16_A     S    16_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     V    17_A     V    17_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     K    18_A     K    18_A     24   78   90     22   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     W    19_A     W    19_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     F    20_A     F    20_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    21_A     D    21_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     T    22_A     T    22_A     24   78   90      8   19   49   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     Q    23_A     Q    23_A     24   78   90     13   31   49   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     K    24_A     K    24_A     24   78   90      8   15   37   55   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    25_A     G    25_A     24   78   90      8   14   36   55   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     F    26_A     F    26_A     24   78   90      8   23   48   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    27_A     G    27_A     24   78   90     22   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     F    28_A     F    28_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     I    29_A     I    29_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     T    30_A     T    30_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     P    31_A     P    31_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    32_A     D    32_A     24   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    33_A     D    33_A     24   78   90     14   32   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    34_A     G    34_A     19   78   90      3    5    7   50   59   67   72   74   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    35_A     G    35_A     19   78   90     14   42   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    36_A     D    36_A     19   78   90     14   39   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    37_A     D    37_A     19   78   90     14   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     L    38_A     L    38_A     19   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     F    39_A     F    39_A     19   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     V    40_A     V    40_A     19   78   90     13   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     H    41_A     H    41_A     19   78   90      5   24   48   59   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     Q    42_A     Q    42_A     19   78   90      9   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     S    43_A     S    43_A     19   78   90     16   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     S    44_A     S    44_A     19   78   90      9   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     I    45_A     I    45_A     19   78   90     16   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     R    46_A     R    46_A     13   78   90      6   38   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     S    47_A     S    47_A     13   78   90      4   22   49   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     E    48_A     E    48_A      7   78   90      3    6    8   31   54   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    49_A     G    49_A      7   78   90      3   10   22   51   62   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     F    50_A     F    50_A     31   78   90      5   21   46   58   64   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     R    51_A     R    51_A     31   78   90     12   39   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     S    52_A     S    52_A     31   78   90     12   39   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     L    53_A     L    53_A     31   78   90     15   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     A    54_A     A    54_A     31   78   90     15   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     A    55_A     A    55_A     31   78   90     10   24   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     E    56_A     E    56_A     31   78   90      8   31   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     E    57_A     E    57_A     31   78   90     22   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     A    58_A     A    58_A     31   78   90     10   42   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     V    59_A     V    59_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     E    60_A     E    60_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     F    61_A     F    61_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     E    62_A     E    62_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     V    63_A     V    63_A     31   78   90     10   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     E    64_A     E    64_A     31   78   90     22   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     I    65_A     I    65_A     31   78   90      9   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    66_A     D    66_A     31   78   90      9   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     N    67_A     N    67_A     31   78   90      9   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     N    68_A     N    68_A     31   78   90     10   34   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     N    69_A     N    69_A     31   78   90      8   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     R    70_A     R    70_A     31   78   90      8   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     P    71_A     P    71_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     K    72_A     K    72_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     A    73_A     A    73_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     I    74_A     I    74_A     31   78   90     10   42   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    75_A     D    75_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     V    76_A     V    76_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     S    77_A     S    77_A     31   78   90     23   43   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    78_A     G    78_A     31   78   90     12   40   52   61   66   69   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     P    79_A     P    79_A     31   78   90      3   12   32   56   63   68   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     D    80_A     D    80_A     31   78   90      5   12   41   56   62   68   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    81_A     G    81_A     31   78   90      5   12   41   56   63   68   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     A    82_A     A    82_A     27   78   90      5   15   51   57   64   68   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     P    83_A     P    83_A     10   78   90      5   10   21   51   62   68   72   75   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     V    84_A     V    84_A      6   78   90      4    6    9   19   30   38   66   74   78   79   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     Q    85_A     Q    85_A      6   37   90      4    5    9   11   18   27   30   45   60   73   80   81   83   83   84   84   85   86   86   86 
LCS_GDT     G    86_A     G    86_A      6   28   90      4    6   10   17   22   27   32   45   61   73   78   81   83   83   84   84   85   86   86   86 
LCS_GDT     N    87_A     N    87_A      5    6   90      3    4    5    8    8    9   19   27   29   34   39   47   53   66   73   83   83   84   86   86 
LCS_GDT     S    88_A     S    88_A      5    6   90      3    4    5    8    8    9   13   26   29   30   33   38   41   50   55   68   74   83   86   86 
LCS_GDT     G    89_A     G    89_A      5    6   90      1    4    5    8    8   14   19   26   29   30   35   39   43   50   54   60   71   75   80   82 
LCS_GDT     G    90_A     G    90_A      5    6   90      1    4    5    8    8    8   10   12   18   22   26   31   35   38   51   53   56   59   64   68 
LCS_GDT     G    91_A     G    91_A      5    6   89      1    4    5    8    8    8   10   12   14   22   26   31   35   39   43   53   56   59   64   69 
LCS_GDT     S    92_A     S    92_A      4    6   38      0    4    5    6    6    8   10   12   14   18   19   21   38   44   51   53   56   59   64   70 
LCS_AVERAGE  LCS_A:  64.91  (  23.20   74.31   97.20 )

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     23     43     52     61     66     69     72     75     78     79     80     81     83     83     84     84     85     86     86     86 
GDT PERCENT_AT  25.00  46.74  56.52  66.30  71.74  75.00  78.26  81.52  84.78  85.87  86.96  88.04  90.22  90.22  91.30  91.30  92.39  93.48  93.48  93.48
GDT RMS_LOCAL    0.33   0.65   0.80   1.08   1.31   1.54   1.55   1.78   1.99   2.10   2.27   2.46   2.74   2.74   2.90   2.90   3.21   3.32   3.32   3.32
GDT RMS_ALL_AT   7.11   6.85   6.79   6.77   6.78   6.59   6.70   6.56   6.48   6.42   6.34   6.25   6.12   6.12   6.06   6.06   6.11   6.05   6.05   6.05

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  D    75_A      D    75_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    13.867     0    0.262   0.262    15.457    0.000    0.000
LGA    H     2_A      H     2_A    13.513     0    0.011   0.718    17.317    0.000    0.000
LGA    M     3_A      M     3_A    10.860     0    0.148   1.141    14.932    0.000    0.000
LGA    S     4_A      S     4_A     8.907     0    0.256   0.260    10.131    6.786    5.794
LGA    G     5_A      G     5_A     9.859     0    0.545   0.545    10.433    0.833    0.833
LGA    D     6_A      D     6_A     6.437     0    0.346   0.835     8.226   23.214   18.214
LGA    N     7_A      N     7_A     4.552     0    0.583   1.370     8.704   49.762   29.405
LGA    G     8_A      G     8_A     1.673     0    0.191   0.191     3.222   63.214   63.214
LGA    G     9_A      G     9_A     5.627     0    0.438   0.438     6.558   24.524   24.524
LGA    G    10_A      G    10_A     3.158     0    0.116   0.116     3.506   51.905   51.905
LGA    E    11_A      E    11_A     3.023     0    0.057   0.268     4.189   59.405   50.582
LGA    R    12_A      R    12_A     1.381     0    0.028   1.408     5.933   72.976   57.576
LGA    R    13_A      R    13_A     0.834     0    0.050   1.355     4.563   90.476   78.788
LGA    K    14_A      K    14_A     0.762     0    0.057   0.719     1.859   90.476   85.556
LGA    G    15_A      G    15_A     0.219     0    0.018   0.018     0.333  100.000  100.000
LGA    S    16_A      S    16_A     0.265     0    0.047   0.706     1.945  100.000   95.476
LGA    V    17_A      V    17_A     0.416     0    0.065   0.120     1.085   92.976   94.626
LGA    K    18_A      K    18_A     0.754     0    0.054   0.918     3.178   88.214   79.259
LGA    W    19_A      W    19_A     0.309     0    0.048   0.598     2.448  100.000   87.687
LGA    F    20_A      F    20_A     0.393     0    0.077   0.110     1.038  100.000   93.160
LGA    D    21_A      D    21_A     0.483     0    0.059   0.099     1.815   92.976   85.060
LGA    T    22_A      T    22_A     1.968     0    0.059   1.230     3.944   69.048   61.088
LGA    Q    23_A      Q    23_A     2.459     0    0.039   1.398     4.413   59.524   58.624
LGA    K    24_A      K    24_A     3.374     0    0.058   0.775     3.976   50.119   51.640
LGA    G    25_A      G    25_A     3.346     0    0.104   0.104     3.346   53.571   53.571
LGA    F    26_A      F    26_A     2.042     0    0.033   0.154     2.665   73.095   66.407
LGA    G    27_A      G    27_A     0.310     0    0.124   0.124     0.884   97.619   97.619
LGA    F    28_A      F    28_A     0.462     0    0.010   0.126     1.262  100.000   90.649
LGA    I    29_A      I    29_A     0.292     0    0.020   0.058     0.616   97.619   97.619
LGA    T    30_A      T    30_A     0.393     0    0.015   0.059     0.615  100.000   98.639
LGA    P    31_A      P    31_A     0.667     0    0.072   0.100     1.056   88.214   89.184
LGA    D    32_A      D    32_A     0.591     0    0.053   0.643     2.053   85.952   82.798
LGA    D    33_A      D    33_A     2.093     0    0.081   1.017     5.470   57.738   47.202
LGA    G    34_A      G    34_A     4.273     0    0.035   0.035     4.273   58.333   58.333
LGA    G    35_A      G    35_A     1.601     0    0.387   0.387     3.042   67.143   67.143
LGA    D    36_A      D    36_A     2.028     0    0.068   0.270     2.822   70.833   66.845
LGA    D    37_A      D    37_A     1.344     0    0.035   0.502     2.865   79.286   77.381
LGA    L    38_A      L    38_A     1.011     0    0.023   1.282     2.838   85.952   78.571
LGA    F    39_A      F    39_A     0.779     0    0.006   0.441     2.027   88.214   83.290
LGA    V    40_A      V    40_A     1.009     0    0.019   0.037     1.460   83.690   85.306
LGA    H    41_A      H    41_A     2.315     0    0.130   0.391     5.992   72.976   47.952
LGA    Q    42_A      Q    42_A     1.274     0    0.073   0.781     3.592   83.810   73.704
LGA    S    43_A      S    43_A     0.524     0    0.091   0.568     2.891   88.214   83.413
LGA    S    44_A      S    44_A     0.784     0    0.060   0.075     1.399   90.476   87.460
LGA    I    45_A      I    45_A     0.144     0    0.082   0.688     1.561   97.619   90.714
LGA    R    46_A      R    46_A     0.897     0    0.527   0.761     6.512   78.333   56.494
LGA    S    47_A      S    47_A     1.992     0    0.105   0.605     2.817   67.143   67.698
LGA    E    48_A      E    48_A     4.676     0    0.126   0.973    10.488   37.262   20.159
LGA    G    49_A      G    49_A     3.675     0    0.173   0.173     3.738   52.143   52.143
LGA    F    50_A      F    50_A     2.804     0    0.034   0.400     5.627   57.262   43.203
LGA    R    51_A      R    51_A     1.278     0    0.082   0.706     1.668   79.286   83.203
LGA    S    52_A      S    52_A     1.042     0    0.038   0.051     1.285   85.952   84.444
LGA    L    53_A      L    53_A     0.514     0    0.066   0.190     0.977   90.476   91.667
LGA    A    54_A      A    54_A     0.538     0    0.045   0.059     0.719   95.238   94.286
LGA    A    55_A      A    55_A     1.619     0    0.615   0.596     3.904   67.619   68.667
LGA    E    56_A      E    56_A     1.732     0    0.062   0.148     3.220   75.000   66.085
LGA    E    57_A      E    57_A     0.948     0    0.067   0.944     4.569   83.690   71.958
LGA    A    58_A      A    58_A     1.102     0    0.094   0.121     1.449   83.690   83.238
LGA    V    59_A      V    59_A     0.661     0    0.039   0.163     0.703   90.476   91.837
LGA    E    60_A      E    60_A     0.814     0    0.035   0.790     1.856   85.952   84.497
LGA    F    61_A      F    61_A     1.259     0    0.031   0.043     1.317   81.429   82.251
LGA    E    62_A      E    62_A     1.300     0    0.049   0.901     3.692   81.429   70.794
LGA    V    63_A      V    63_A     1.305     0    0.053   1.226     3.305   83.690   77.007
LGA    E    64_A      E    64_A     1.184     0    0.035   0.342     1.890   81.429   81.481
LGA    I    65_A      I    65_A     1.178     0    0.019   0.586     1.384   83.690   82.560
LGA    D    66_A      D    66_A     0.997     0    0.083   0.723     3.678   85.952   74.048
LGA    N    67_A      N    67_A     0.931     0    0.059   1.065     3.889   85.952   74.048
LGA    N    68_A      N    68_A     1.361     0    0.081   1.407     4.538   83.690   70.119
LGA    N    69_A      N    69_A     0.853     0    0.148   0.664     3.242   85.952   75.774
LGA    R    70_A      R    70_A     0.764     0    0.031   1.123     6.843   90.476   68.701
LGA    P    71_A      P    71_A     0.876     0    0.016   0.033     1.157   88.214   86.599
LGA    K    72_A      K    72_A     0.926     0    0.022   0.135     0.964   90.476   92.593
LGA    A    73_A      A    73_A     0.968     0    0.009   0.011     1.345   85.952   86.857
LGA    I    74_A      I    74_A     1.677     0    0.013   0.573     2.259   77.143   72.976
LGA    D    75_A      D    75_A     1.565     0    0.064   0.118     1.753   72.857   73.929
LGA    V    76_A      V    76_A     1.211     0    0.017   0.056     1.403   81.429   81.429
LGA    S    77_A      S    77_A     1.315     0    0.045   0.108     1.341   81.429   82.937
LGA    G    78_A      G    78_A     1.404     0    0.073   0.073     1.666   77.143   77.143
LGA    P    79_A      P    79_A     2.710     0    0.658   0.625     5.346   51.548   56.259
LGA    D    80_A      D    80_A     3.324     0    0.164   0.345     5.371   50.119   44.643
LGA    G    81_A      G    81_A     2.939     0    0.031   0.031     3.152   55.357   55.357
LGA    A    82_A      A    82_A     2.203     0    0.130   0.175     2.203   66.786   68.000
LGA    P    83_A      P    83_A     3.220     0    0.025   0.096     5.055   46.905   41.224
LGA    V    84_A      V    84_A     4.993     0    0.017   0.037     6.133   27.262   29.864
LGA    Q    85_A      Q    85_A     8.709     0    0.021   1.061    12.492    3.571    1.799
LGA    G    86_A      G    86_A     9.211     0    0.694   0.694    11.851    1.071    1.071
LGA    N    87_A      N    87_A    14.207     0    0.584   1.198    17.142    0.000    0.000
LGA    S    88_A      S    88_A    16.833     0    0.596   0.612    19.558    0.000    0.000
LGA    G    89_A      G    89_A    19.968     0    0.471   0.471    20.644    0.000    0.000
LGA    G    90_A      G    90_A    23.549     0    0.515   0.515    27.114    0.000    0.000
LGA    G    91_A      G    91_A    25.312     0    0.571   0.571    25.444    0.000    0.000
LGA    S    92_A      S    92_A    26.368     0    0.603   0.529    27.808    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     5.572          5.583                  5.384           65.622   61.585

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     75    1.78    71.467    74.786     3.997

LGA_LOCAL      RMSD:   1.777  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.559  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.572  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.377674 * X  +   0.108123 * Y  +  -0.919604 * Z  +   0.455112
  Y_new =   0.603982 * X  +   0.724015 * Y  +   0.333177 * Z  +  -1.622176
  Z_new =   0.701832 * X  +  -0.681257 * Y  +   0.208137 * Z  +   0.377739 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.011977 -0.777966 -1.274284   [DEG:   57.9820  -44.5742  -73.0111 ]
ZXZ: -1.918391  1.361127  2.341320   [DEG: -109.9157   77.9868  134.1477 ]
 
# END of job
