
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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:    78      15_A - 92_A        4.54    13.89
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.92    14.30
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.77    14.39
  LCS_AVERAGE:     72.85

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     K    15_A     K    15_A     73   75   78     20   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     20   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     51   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     46   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     51   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     51   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     41   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     73   75   78      6   64   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      7   65   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     73   75   78     40   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     73   75   78     19   65   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     73   75   78      8   62   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     30   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     73   75   78      8   65   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     41   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     73   75   78     41   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     73   75   78     17   59   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     13   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     46   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     53   66   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      3    9   16   30   65   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   75   78     10   12   14   14   14   16   26   33   45   65   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   75   78     10   12   14   14   14   14   16   16   16   17   18   19   27   33   41   53   74   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78     10   12   14   14   14   14   16   16   16   17   18   19   27   32   38   46   51   65   75   76 
LCS_GDT     L    91_A     L    91_A     14   16   78     10   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78     10   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19     10   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19     10   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19     10   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   25   28   30 
LCS_GDT     N    96_A     N    96_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   24   25   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19     10   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   25   28   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      7   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19     10   12   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    7   14   14   14   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    8    8   14   16   16   16   17   18   19   20   21   23   23   25   28   29   30 
LCS_AVERAGE  LCS_A:  77.45  (  72.85   76.85   82.64 )

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     53     66     72     72     72     73     73     73     73     73     74     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  60.92  75.86  82.76  82.76  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.31   0.46   0.59   0.59   0.59   0.77   0.77   0.77   0.77   0.77   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.92   1.92   2.54
GDT RMS_ALL_AT  14.37  14.39  14.39  14.39  14.39  14.39  14.39  14.39  14.39  14.39  14.36  14.36  14.36  14.36  14.36  14.36  14.36  14.30  14.30  14.21

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    81_A      F    81_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.097     0    0.506   1.308     7.766   75.833   53.122
LGA    L    16_A      L    16_A     1.140     0    0.018   0.066     1.232   85.952   83.690
LGA    I    17_A      I    17_A     0.555     0    0.061   0.099     1.289   95.238   90.595
LGA    I    18_A      I    18_A     0.100     0    0.015   0.094     0.571   97.619   98.810
LGA    K    19_A      K    19_A     0.324     0    0.069   0.334     2.252  100.000   90.899
LGA    A    20_A      A    20_A     0.319     0    0.010   0.030     0.540  100.000   98.095
LGA    Q    21_A      Q    21_A     0.235     0    0.012   0.090     0.521   97.619   98.942
LGA    L    22_A      L    22_A     0.467     0    0.064   0.080     1.032  100.000   94.107
LGA    G    23_A      G    23_A     0.490     0    0.036   0.036     0.657   95.238   95.238
LGA    E    24_A      E    24_A     0.491     0    0.024   1.011     5.328   97.619   76.614
LGA    D    25_A      D    25_A     0.389     0    0.079   0.934     3.900  100.000   80.476
LGA    I    26_A      I    26_A     0.534     0    0.082   0.136     1.077   90.595   91.726
LGA    R    27_A      R    27_A     0.831     0    0.044   1.002     4.177   90.476   81.732
LGA    R    28_A      R    28_A     0.728     0    0.038   0.915     4.203   90.476   74.242
LGA    I    29_A      I    29_A     0.741     0    0.012   0.400     1.200   92.857   90.536
LGA    P    30_A      P    30_A     0.676     0    0.017   0.058     0.972   92.857   91.837
LGA    I    31_A      I    31_A     0.363     0    0.053   0.525     1.398  100.000   94.167
LGA    H    32_A      H    32_A     0.708     0    0.192   0.276     1.723   88.214   83.333
LGA    N    33_A      N    33_A     0.689     0    0.018   0.805     3.089   90.476   79.048
LGA    E    34_A      E    34_A     0.631     0    0.048   0.512     2.607   92.857   86.825
LGA    D    35_A      D    35_A     0.574     0    0.041   1.227     4.085   90.476   75.536
LGA    I    36_A      I    36_A     0.410     0    0.042   0.054     0.598  100.000   97.619
LGA    T    37_A      T    37_A     0.353     0    0.017   0.118     0.683  100.000   98.639
LGA    Y    38_A      Y    38_A     0.304     0    0.015   0.111     0.487  100.000  100.000
LGA    D    39_A      D    39_A     0.462     0    0.033   0.076     1.097  100.000   94.107
LGA    E    40_A      E    40_A     0.424     0    0.013   0.181     0.882  100.000   98.942
LGA    L    41_A      L    41_A     0.207     0    0.032   0.082     0.296  100.000  100.000
LGA    V    42_A      V    42_A     0.132     0    0.029   0.057     0.285  100.000  100.000
LGA    L    43_A      L    43_A     0.149     0    0.032   0.067     0.327  100.000  100.000
LGA    M    44_A      M    44_A     0.117     0    0.057   0.731     2.073  100.000   88.810
LGA    M    45_A      M    45_A     0.144     0    0.037   0.099     0.219  100.000  100.000
LGA    Q    46_A      Q    46_A     0.078     0    0.025   0.244     0.686  100.000   97.884
LGA    R    47_A      R    47_A     0.034     0    0.046   1.289     5.421  100.000   79.827
LGA    V    48_A      V    48_A     0.439     0    0.103   1.275     2.633  100.000   87.483
LGA    F    49_A      F    49_A     0.194     0    0.024   0.114     0.524  100.000   98.268
LGA    R    50_A      R    50_A     0.212     0    0.550   1.324     5.658   85.119   73.333
LGA    G    51_A      G    51_A     1.246     0    0.077   0.077     1.494   85.952   85.952
LGA    K    52_A      K    52_A     0.502     0    0.195   0.733     2.251   92.857   88.730
LGA    L    53_A      L    53_A     1.085     0    0.093   0.117     1.438   81.429   81.429
LGA    L    54_A      L    54_A     0.690     0    0.070   0.136     1.339   90.476   87.083
LGA    S    55_A      S    55_A     1.152     0    0.063   0.100     1.507   81.548   81.508
LGA    N    56_A      N    56_A     1.371     0    0.037   1.186     3.212   81.429   76.429
LGA    D    57_A      D    57_A     0.780     0    0.092   0.138     0.989   90.476   92.857
LGA    E    58_A      E    58_A     1.134     0    0.038   0.510     2.582   88.214   79.841
LGA    V    59_A      V    59_A     0.582     0    0.075   0.087     0.825   95.238   94.558
LGA    T    60_A      T    60_A     0.255     0    0.047   0.261     0.973  100.000   97.279
LGA    I    61_A      I    61_A     0.262     0    0.012   0.087     0.606  100.000   98.810
LGA    K    62_A      K    62_A     0.189     0    0.063   0.135     0.645  100.000   98.942
LGA    Y    63_A      Y    63_A     0.346     0    0.016   0.142     0.767  100.000   96.825
LGA    K    64_A      K    64_A     0.268     0    0.037   0.803     4.436  100.000   78.942
LGA    A    65_A      A    65_A     0.297     0    0.034   0.040     0.467  100.000  100.000
LGA    E    66_A      E    66_A     0.796     0    0.636   0.836     3.059   80.357   83.968
LGA    R    67_A      R    67_A     1.715     0    0.290   1.228    10.598   79.405   41.299
LGA    G    68_A      G    68_A     0.868     0    0.109   0.109     1.151   88.214   88.214
LGA    D    69_A      D    69_A     0.745     0    0.020   1.121     3.463   95.238   81.250
LGA    L    70_A      L    70_A     0.464     0    0.105   0.160     1.032   90.595   95.298
LGA    I    71_A      I    71_A     0.301     0    0.013   0.103     0.329  100.000  100.000
LGA    T    72_A      T    72_A     0.336     0    0.014   0.044     0.404  100.000  100.000
LGA    I    73_A      I    73_A     0.442     0    0.022   0.083     0.567  100.000   97.619
LGA    F    74_A      F    74_A     0.282     0    0.039   1.287     6.244  100.000   67.100
LGA    D    75_A      D    75_A     0.093     0    0.060   0.127     0.592  100.000   98.810
LGA    S    76_A      S    76_A     0.054     0    0.059   0.055     0.301  100.000  100.000
LGA    S    77_A      S    77_A     0.435     0    0.053   0.504     0.995  100.000   96.825
LGA    D    78_A      D    78_A     0.297     0    0.013   0.062     0.604  100.000   98.810
LGA    L    79_A      L    79_A     0.082     0    0.011   0.024     0.320  100.000  100.000
LGA    S    80_A      S    80_A     0.343     0    0.025   0.051     0.512  100.000   98.413
LGA    F    81_A      F    81_A     0.468     0    0.038   0.088     1.153  100.000   91.472
LGA    A    82_A      A    82_A     0.219     0    0.047   0.045     0.286  100.000  100.000
LGA    I    83_A      I    83_A     0.300     0    0.041   0.110     0.679   97.619   96.429
LGA    Q    84_A      Q    84_A     0.453     0    0.018   0.943     5.153  100.000   75.767
LGA    C    85_A      C    85_A     0.300     0    0.147   0.166     1.076   95.357   93.730
LGA    S    86_A      S    86_A     0.386     0    0.592   0.749     4.111   75.476   68.333
LGA    R    87_A      R    87_A     4.266     0    0.472   1.402     8.832   27.619   35.065
LGA    I    88_A      I    88_A     8.434     0    0.200   0.616    10.797    7.619    4.583
LGA    L    89_A      L    89_A    12.939     0    0.078   0.138    18.997    0.000    0.000
LGA    K    90_A      K    90_A    15.068     0    0.037   0.571    17.450    0.000    2.540
LGA    L    91_A      L    91_A    22.309     0    0.042   0.067    25.515    0.000    0.000
LGA    T    92_A      T    92_A    26.559     0    0.047   1.079    29.950    0.000    0.000
LGA    L    93_A      L    93_A    34.072     0    0.085   1.023    35.582    0.000    0.000
LGA    F    94_A      F    94_A    39.157     0    0.012   0.117    42.662    0.000    0.000
LGA    V    95_A      V    95_A    46.345     0    0.013   0.022    49.956    0.000    0.000
LGA    N    96_A      N    96_A    51.789     0    0.026   0.080    56.004    0.000    0.000
LGA    G    97_A      G    97_A    46.763     0    0.017   0.017    48.227    0.000    0.000
LGA    Q    98_A      Q    98_A    43.206     0    0.041   1.047    47.216    0.000    0.000
LGA    P    99_A      P    99_A    36.595     0    0.684   0.639    38.546    0.000    0.000
LGA    R   100_A      R   100_A    39.689     0    0.406   0.969    41.079    0.000    0.000
LGA    P   101_A      P   101_A    42.440     0    0.701   0.596    44.441    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    12.371         12.394                 12.382           79.019   74.473

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.77    81.897    81.509     8.347

LGA_LOCAL      RMSD:   0.775  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.386  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.371  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.805956 * X  +  -0.308413 * Y  +  -0.505287 * Z  + -12.582478
  Y_new =  -0.342468 * X  +   0.453308 * Y  +  -0.822939 * Z  +  11.294280
  Z_new =   0.482856 * X  +   0.836297 * Y  +   0.259725 * Z  +   5.762725 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.401804 -0.503913  1.269675   [DEG:  -23.0217  -28.8721   72.7470 ]
ZXZ: -0.550653  1.308059  0.523616   [DEG:  -31.5501   74.9463   30.0010 ]
 
# END of job
