
#######################################################
#                                                     #
#                        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        4.72    16.05
  LCS_AVERAGE:     82.27

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        1.91    16.54
  LCS_AVERAGE:     72.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      58_A - 85_A        0.91    16.80
  LCS_AVERAGE:     20.45

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     18   73   78      4   22   42   61   64   67   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    16_A     L    16_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    17_A     I    17_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    18_A     I    18_A     18   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     K    19_A     K    19_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     A    20_A     A    20_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    22_A     L    22_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     G    23_A     G    23_A     18   73   78     17   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     E    24_A     E    24_A     18   73   78     15   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     D    25_A     D    25_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    26_A     I    26_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     R    27_A     R    27_A     18   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     R    28_A     R    28_A     18   73   78     18   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    29_A     I    29_A     18   73   78     18   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     P    30_A     P    30_A     18   73   78     12   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    31_A     I    31_A     18   73   78     13   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     H    32_A     H    32_A     18   73   78      3   20   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     N    33_A     N    33_A     18   73   78      4    7   22   38   58   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     E    34_A     E    34_A      4   73   78      4    5   25   58   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     D    35_A     D    35_A     16   73   78     16   22   41   61   64   67   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    36_A     I    36_A     16   73   78     16   39   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     T    37_A     T    37_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     D    39_A     D    39_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     E    40_A     E    40_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    41_A     L    41_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     V    42_A     V    42_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    43_A     L    43_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     M    44_A     M    44_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     M    45_A     M    45_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     16   73   78     16   43   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     R    47_A     R    47_A     16   73   78     16   37   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     V    48_A     V    48_A     16   73   78     16   45   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     F    49_A     F    49_A     16   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     R    50_A     R    50_A     16   73   78     16   34   56   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     G    51_A     G    51_A      3   73   78      3    3    8   19   35   52   65   70   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     K    52_A     K    52_A      3   73   78      1    3    4   12   19   24   32   49   65   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    53_A     L    53_A      4   73   78      0    3    5    8   42   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    54_A     L    54_A      4   73   78      3    7   17   42   60   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     S    55_A     S    55_A      4   73   78      3    6   18   42   61   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     N    56_A     N    56_A      4   73   78      3   23   49   58   63   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     D    57_A     D    57_A      4   73   78      3    3   16   41   61   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     E    58_A     E    58_A     28   73   78      6   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     V    59_A     V    59_A     28   73   78     19   46   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     T    60_A     T    60_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    61_A     I    61_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     K    62_A     K    62_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     K    64_A     K    64_A     28   73   78     15   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     A    65_A     A    65_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     E    66_A     E    66_A     28   73   78     17   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     R    67_A     R    67_A     28   73   78      6   21   54   60   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     G    68_A     G    68_A     28   73   78     13   45   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     D    69_A     D    69_A     28   73   78     14   45   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    70_A     L    70_A     28   73   78     15   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    71_A     I    71_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     T    72_A     T    72_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    73_A     I    73_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     F    74_A     F    74_A     28   73   78     19   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     D    75_A     D    75_A     28   73   78     14   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     S    76_A     S    76_A     28   73   78     11   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     S    77_A     S    77_A     28   73   78     12   45   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     D    78_A     D    78_A     28   73   78     12   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    79_A     L    79_A     28   73   78     17   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     S    80_A     S    80_A     28   73   78     12   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     F    81_A     F    81_A     28   73   78     12   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     A    82_A     A    82_A     28   73   78     16   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    83_A     I    83_A     28   73   78     13   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     28   73   78     15   48   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     C    85_A     C    85_A     28   73   78      7   33   57   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     S    86_A     S    86_A     17   73   78      4   22   41   61   64   68   70   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     R    87_A     R    87_A     10   73   78      5   10   10   31   47   62   67   71   72   72   73   73   74   74   74   74   75   75   75   76 
LCS_GDT     I    88_A     I    88_A     10   31   78      5   10   10   10   10   15   24   32   42   58   68   73   74   74   74   74   75   75   75   76 
LCS_GDT     L    89_A     L    89_A     10   11   78      5   10   10   10   10   10   12   14   14   14   21   29   37   47   62   71   75   75   75   76 
LCS_GDT     K    90_A     K    90_A     10   11   78      5   10   10   10   10   10   12   14   14   14   16   22   28   36   44   53   61   69   74   76 
LCS_GDT     L    91_A     L    91_A     10   11   78      6   10   10   10   10   10   12   14   14   14   15   16   18   19   20   21   25   25   28   32 
LCS_GDT     T    92_A     T    92_A     10   11   78      6   10   10   10   10   10   12   14   14   14   15   16   18   19   20   21   25   25   28   29 
LCS_GDT     L    93_A     L    93_A     10   11   16      6   10   10   10   10   10   12   14   14   14   15   16   18   19   20   21   25   25   27   29 
LCS_GDT     F    94_A     F    94_A     10   11   16      6   10   10   10   10   10   12   14   14   14   15   16   18   19   20   21   25   25   27   28 
LCS_GDT     V    95_A     V    95_A     10   11   16      6   10   10   10   10   10   10   14   14   14   15   16   18   19   20   21   25   25   27   28 
LCS_GDT     N    96_A     N    96_A     10   11   16      6   10   10   10   10   10   10   11   12   13   15   16   18   19   19   20   21   23   25   27 
LCS_GDT     G    97_A     G    97_A      4   11   16      3    3    4    4    5    7   12   14   14   14   15   16   18   19   20   21   25   25   27   29 
LCS_GDT     Q    98_A     Q    98_A      4    5   16      2    3    4    4    5    5    6    6    9   12   14   16   18   19   20   21   25   25   27   29 
LCS_GDT     P    99_A     P    99_A      4    5   16      3    3    4    4    5    5    6    6    7    7    7    7    9   17   19   20   25   25   27   29 
LCS_GDT     R   100_A     R   100_A      4    5   16      3    3    4    4    5    5    6    6    7    7   10   13   15   17   19   19   21   23   24   25 
LCS_GDT     P   101_A     P   101_A      3    3   15      3    3    3    3    5    5    5    6    7    7    7    8   14   15   17   19   21   23   23   24 
LCS_AVERAGE  LCS_A:  58.36  (  20.45   72.36   82.27 )

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     19     48     57     61     64     68     70     71     72     72     73     73     74     74     74     74     75     75     75     76 
GDT PERCENT_AT  21.84  55.17  65.52  70.11  73.56  78.16  80.46  81.61  82.76  82.76  83.91  83.91  85.06  85.06  85.06  85.06  86.21  86.21  86.21  87.36
GDT RMS_LOCAL    0.29   0.68   0.82   0.95   1.06   1.47   1.52   1.61   1.72   1.72   1.91   1.91   2.15   2.15   2.15   2.15   2.53   2.53   2.53   2.99
GDT RMS_ALL_AT  16.82  16.69  16.70  16.72  16.72  16.62  16.62  16.60  16.59  16.59  16.54  16.54  16.51  16.51  16.51  16.51  16.45  16.45  16.45  16.36

# Checking swapping
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  D    75_A      D    75_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     2.789     0    0.481   1.535     7.152   59.167   42.222
LGA    L    16_A      L    16_A     0.932     0    0.026   1.399     3.407   83.810   75.714
LGA    I    17_A      I    17_A     0.393     0    0.039   1.061     2.937   95.238   83.274
LGA    I    18_A      I    18_A     0.686     0    0.017   0.740     2.247   90.476   83.929
LGA    K    19_A      K    19_A     0.508     0    0.026   0.780     1.477   95.238   90.582
LGA    A    20_A      A    20_A     0.582     0    0.034   0.043     1.012   90.595   90.571
LGA    Q    21_A      Q    21_A     0.964     0    0.111   1.154     3.661   85.952   73.810
LGA    L    22_A      L    22_A     0.890     0    0.027   1.103     3.390   90.476   79.940
LGA    G    23_A      G    23_A     0.461     0    0.052   0.052     1.081   90.595   90.595
LGA    E    24_A      E    24_A     0.957     0    0.074   0.725     4.166   85.952   73.122
LGA    D    25_A      D    25_A     1.177     0    0.065   0.516     1.748   81.429   79.286
LGA    I    26_A      I    26_A     0.918     0    0.034   0.243     0.994   90.476   90.476
LGA    R    27_A      R    27_A     0.775     0    0.055   0.746     2.447   90.476   85.671
LGA    R    28_A      R    28_A     0.354     0    0.055   1.201     4.686   95.238   82.987
LGA    I    29_A      I    29_A     0.395     0    0.052   1.486     2.873   97.619   82.500
LGA    P    30_A      P    30_A     0.868     0    0.037   0.321     0.933   90.476   91.837
LGA    I    31_A      I    31_A     1.092     0    0.073   1.020     4.342   83.690   74.940
LGA    H    32_A      H    32_A     1.733     0    0.586   1.519     8.798   69.286   39.286
LGA    N    33_A      N    33_A     3.527     0    0.157   0.973     9.195   53.810   31.012
LGA    E    34_A      E    34_A     2.665     0    0.082   1.154     8.204   61.190   37.884
LGA    D    35_A      D    35_A     2.238     0    0.341   1.270     3.497   73.214   62.500
LGA    I    36_A      I    36_A     1.195     0    0.100   0.256     2.011   81.429   78.274
LGA    T    37_A      T    37_A     0.671     0    0.039   0.140     0.894   90.476   91.837
LGA    Y    38_A      Y    38_A     0.737     0    0.029   0.132     1.048   92.857   90.516
LGA    D    39_A      D    39_A     0.409     0    0.023   0.194     0.692  100.000   95.238
LGA    E    40_A      E    40_A     0.244     0    0.025   1.137     4.127  100.000   85.873
LGA    L    41_A      L    41_A     0.452     0    0.034   0.486     1.557  100.000   90.774
LGA    V    42_A      V    42_A     0.343     0    0.020   0.077     0.827   97.619   94.558
LGA    L    43_A      L    43_A     0.660     0    0.047   0.335     2.110   92.857   87.321
LGA    M    44_A      M    44_A     0.633     0    0.040   1.053     2.358   92.857   83.036
LGA    M    45_A      M    45_A     0.218     0    0.045   0.172     1.363   95.238   89.464
LGA    Q    46_A      Q    46_A     1.457     0    0.038   0.890     3.605   79.405   74.444
LGA    R    47_A      R    47_A     1.848     0    0.055   1.526     4.690   75.000   65.152
LGA    V    48_A      V    48_A     1.196     0    0.086   1.190     2.854   81.429   75.578
LGA    F    49_A      F    49_A     0.953     0    0.254   0.236     1.399   85.952   90.563
LGA    R    50_A      R    50_A     2.218     0    0.550   0.785     4.300   64.881   56.970
LGA    G    51_A      G    51_A     5.671     0    0.448   0.448     6.561   20.833   20.833
LGA    K    52_A      K    52_A     7.603     0    0.103   0.864    14.703   10.238    4.868
LGA    L    53_A      L    53_A     4.100     0    0.572   1.003     5.530   31.786   52.500
LGA    L    54_A      L    54_A     3.873     0    0.626   0.744     6.463   41.786   33.095
LGA    S    55_A      S    55_A     3.320     0    0.214   0.674     5.728   53.810   45.635
LGA    N    56_A      N    56_A     2.445     0    0.047   1.190     5.311   62.857   51.786
LGA    D    57_A      D    57_A     3.735     0    0.624   1.277    10.104   59.524   32.976
LGA    E    58_A      E    58_A     1.305     0    0.176   1.105     3.639   72.976   62.698
LGA    V    59_A      V    59_A     1.609     0    0.113   0.959     2.890   75.000   73.061
LGA    T    60_A      T    60_A     1.209     0    0.064   0.344     1.769   81.429   82.789
LGA    I    61_A      I    61_A     1.186     0    0.085   1.415     4.188   81.429   69.821
LGA    K    62_A      K    62_A     0.633     0    0.061   0.697     4.095   90.476   79.735
LGA    Y    63_A      Y    63_A     0.244     0    0.048   0.172     0.766  100.000   94.444
LGA    K    64_A      K    64_A     0.638     0    0.066   1.111     6.381   97.619   71.270
LGA    A    65_A      A    65_A     0.592     0    0.066   0.075     0.863   92.857   92.381
LGA    E    66_A      E    66_A     0.794     0    0.642   0.951     2.727   82.143   79.947
LGA    R    67_A      R    67_A     2.423     0    0.359   1.305     7.591   70.952   40.519
LGA    G    68_A      G    68_A     1.494     0    0.098   0.098     1.704   77.143   77.143
LGA    D    69_A      D    69_A     1.166     0    0.178   1.111     3.148   88.333   77.798
LGA    L    70_A      L    70_A     0.649     0    0.053   1.332     3.233   88.214   77.917
LGA    I    71_A      I    71_A     0.534     0    0.038   0.556     1.172   97.619   91.786
LGA    T    72_A      T    72_A     0.753     0    0.039   0.666     2.309   88.214   85.510
LGA    I    73_A      I    73_A     0.864     0    0.053   0.312     1.452   85.952   85.952
LGA    F    74_A      F    74_A     1.208     0    0.194   1.179     3.890   85.952   74.545
LGA    D    75_A      D    75_A     0.763     0    0.065   0.975     2.979   90.476   78.810
LGA    S    76_A      S    76_A     0.964     0    0.046   0.058     1.312   88.214   85.952
LGA    S    77_A      S    77_A     1.423     0    0.017   0.332     2.661   81.429   75.952
LGA    D    78_A      D    78_A     0.964     0    0.025   0.285     2.115   88.214   83.869
LGA    L    79_A      L    79_A     0.255     0    0.027   0.256     0.821   97.619   96.429
LGA    S    80_A      S    80_A     0.874     0    0.035   0.713     2.510   90.476   83.413
LGA    F    81_A      F    81_A     0.963     0    0.024   1.321     4.747   90.476   71.775
LGA    A    82_A      A    82_A     0.652     0    0.048   0.049     0.843   92.857   92.381
LGA    I    83_A      I    83_A     0.629     0    0.072   0.180     1.519   92.857   88.333
LGA    Q    84_A      Q    84_A     0.398     0    0.166   1.153     6.290   97.619   66.561
LGA    C    85_A      C    85_A     1.589     0    0.112   0.121     2.533   72.976   68.968
LGA    S    86_A      S    86_A     2.417     0    0.565   0.532     3.322   66.786   61.190
LGA    R    87_A      R    87_A     4.597     0    0.054   1.243     7.636   26.429   27.446
LGA    I    88_A      I    88_A     8.960     0    0.099   1.543    11.642    8.095    4.345
LGA    L    89_A      L    89_A    12.107     0    0.066   0.216    17.237    0.000    0.000
LGA    K    90_A      K    90_A    14.619     0    0.031   0.693    16.945    0.000    1.376
LGA    L    91_A      L    91_A    21.788     0    0.033   0.279    24.382    0.000    0.000
LGA    T    92_A      T    92_A    26.039     0    0.052   1.066    29.530    0.000    0.000
LGA    L    93_A      L    93_A    33.554     0    0.023   1.371    35.088    0.000    0.000
LGA    F    94_A      F    94_A    38.720     0    0.054   1.280    42.363    0.000    0.000
LGA    V    95_A      V    95_A    46.029     0    0.050   0.175    49.854    0.000    0.000
LGA    N    96_A      N    96_A    50.922     0    0.312   1.157    55.428    0.000    0.000
LGA    G    97_A      G    97_A    50.816     0    0.659   0.659    51.317    0.000    0.000
LGA    Q    98_A      Q    98_A    53.126     0    0.161   1.200    56.487    0.000    0.000
LGA    P    99_A      P    99_A    52.184     0    0.755   0.747    52.423    0.000    0.000
LGA    R   100_A      R   100_A    54.755     0    0.265   1.161    59.200    0.000    0.000
LGA    P   101_A      P   101_A    60.450     0    0.082   0.266    63.130    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):    14.161         14.277                 14.172           67.886   61.351

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     71    1.61    72.989    75.128     4.159

LGA_LOCAL      RMSD:   1.607  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.603  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  14.161  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.024184 * X  +  -0.901956 * Y  +  -0.431151 * Z  + -10.934972
  Y_new =  -0.458707 * X  +  -0.373186 * Y  +   0.806424 * Z  +  13.566948
  Z_new =  -0.888259 * X  +   0.217274 * Y  +  -0.404708 * Z  +   6.151283 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.623470  1.093540  2.648888   [DEG:  -93.0180   62.6552  151.7701 ]
ZXZ: -2.650615  1.987456 -1.330900   [DEG: -151.8690  113.8728  -76.2549 ]
 
# END of job
