
#######################################################
#                                                     #
#                        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  103 (  821),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  633),  selected   79 , 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:    79      23_A - 101_A       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      23_A - 100_A       0.92     1.41
  LCS_AVERAGE:     97.55

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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    23_A     G    23_A     78   79   79      3   52   74   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    24_A     G    24_A     78   79   79      3    4   74   75   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     78   79   79     59   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     78   79   79     41   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     78   79   79     47   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     78   79   79     59   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     78   79   79     68   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     78   79   79     21   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    98_A     L    98_A     78   79   79      3    5   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     78   79   79      9   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S   100_A     S   100_A     78   79   79      3    4    9   16   75   77   78   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      4   79   79      3    4    7    8    9   12   12   19   24   43   77   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  99.18  (  97.55  100.00  100.00 )

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     68     72     75     76     77     77     78     78     78     78     78     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  86.08  91.14  94.94  96.20  97.47  97.47  98.73  98.73  98.73  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.32   0.53   0.57   0.63   0.63   0.92   0.92   0.92   0.92   0.92   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38
GDT RMS_ALL_AT   1.51   1.51   1.45   1.46   1.46   1.46   1.41   1.41   1.41   1.41   1.41   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38

# Checking swapping
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    43_A      E    43_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    70_A      Y    70_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  Y    93_A      Y    93_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    23_A      G    23_A     2.112     0    0.355   0.355     2.745   67.024   67.024
LGA    G    24_A      G    24_A     2.278     0    0.482   0.482     2.278   77.262   77.262
LGA    S    25_A      S    25_A     0.492     0    0.034   0.715     2.187   95.238   87.857
LGA    M    26_A      M    26_A     0.549     0    0.033   0.084     0.699   92.857   91.667
LGA    K    27_A      K    27_A     0.347     0    0.027   0.671     2.995  100.000   90.159
LGA    I    28_A      I    28_A     0.118     0    0.040   0.042     0.234  100.000  100.000
LGA    Y    29_A      Y    29_A     0.095     0    0.054   0.210     0.980  100.000   96.825
LGA    V    30_A      V    30_A     0.411     0    0.006   0.135     0.673  100.000   98.639
LGA    K    31_A      K    31_A     0.458     0    0.043   0.427     1.383  100.000   96.878
LGA    L    32_A      L    32_A     0.514     0    0.010   1.030     2.487   95.238   85.298
LGA    Q    33_A      Q    33_A     0.483     0    0.042   1.382     5.082   95.238   69.947
LGA    D    34_A      D    34_A     0.503     0    0.021   0.241     0.750   92.857   92.857
LGA    G    35_A      G    35_A     0.585     0    0.050   0.050     0.842   92.857   92.857
LGA    T    36_A      T    36_A     1.073     0    0.067   1.043     3.115   88.214   80.816
LGA    V    37_A      V    37_A     0.487     0    0.012   0.095     0.664   95.238   94.558
LGA    I    38_A      I    38_A     0.404     0    0.047   0.046     0.540  100.000   97.619
LGA    E    39_A      E    39_A     0.455     0    0.023   0.463     1.618  100.000   92.751
LGA    L    40_A      L    40_A     0.292     0    0.038   0.286     1.055  100.000   95.298
LGA    E    41_A      E    41_A     0.493     0    0.016   0.972     2.983  100.000   82.434
LGA    V    42_A      V    42_A     0.360     0    0.081   0.108     0.856   97.619   98.639
LGA    E    43_A      E    43_A     0.363     0    0.058   1.072     3.905  100.000   82.751
LGA    P    44_A      P    44_A     0.514     0    0.027   0.036     0.583   95.238   93.197
LGA    S    45_A      S    45_A     0.400     0    0.072   0.371     1.656   97.619   92.302
LGA    D    46_A      D    46_A     0.241     0    0.022   0.200     0.918  100.000   98.810
LGA    T    47_A      T    47_A     0.207     0    0.040   0.058     0.552  100.000   98.639
LGA    I    48_A      I    48_A     0.266     0    0.020   0.076     0.328  100.000  100.000
LGA    L    49_A      L    49_A     0.586     0    0.056   0.117     0.661   95.238   92.857
LGA    E    50_A      E    50_A     0.584     0    0.033   0.252     1.200   92.857   90.529
LGA    V    51_A      V    51_A     0.470     0    0.012   0.044     0.541   97.619   97.279
LGA    K    52_A      K    52_A     0.447     0    0.019   0.144     0.986  100.000   96.825
LGA    E    53_A      E    53_A     0.444     0    0.072   0.069     0.826  100.000   95.767
LGA    K    54_A      K    54_A     0.457     0    0.040   0.523     1.440   97.619   91.640
LGA    I    55_A      I    55_A     0.348     0    0.018   0.039     0.540  100.000   98.810
LGA    Y    56_A      Y    56_A     0.339     0    0.024   0.105     0.441  100.000  100.000
LGA    E    57_A      E    57_A     0.456     0    0.019   0.859     3.087  100.000   88.413
LGA    K    58_A      K    58_A     0.379     0    0.029   0.423     1.457  100.000   95.820
LGA    T    59_A      T    59_A     0.503     0    0.034   0.051     0.570   95.238   95.918
LGA    G    60_A      G    60_A     0.523     0    0.037   0.037     0.572   92.857   92.857
LGA    I    61_A      I    61_A     0.272     0    0.011   0.047     0.305  100.000  100.000
LGA    P    62_A      P    62_A     0.392     0    0.023   0.040     0.472  100.000  100.000
LGA    P    63_A      P    63_A     0.480     0    0.019   0.024     0.544  100.000   97.279
LGA    E    64_A      E    64_A     0.399     0    0.042   0.530     2.119  100.000   92.910
LGA    D    65_A      D    65_A     0.382     0    0.039   0.121     0.564  100.000   98.810
LGA    Q    66_A      Q    66_A     0.511     0    0.033   0.057     0.607   95.238   92.593
LGA    I    67_A      I    67_A     0.421     0    0.065   0.079     0.748  100.000   96.429
LGA    L    68_A      L    68_A     0.398     0    0.005   0.091     0.601  100.000   97.619
LGA    I    69_A      I    69_A     0.387     0    0.032   0.059     0.813  100.000   95.238
LGA    Y    70_A      Y    70_A     0.298     0    0.034   0.115     0.744  100.000   98.413
LGA    K    71_A      K    71_A     0.309     0    0.041   0.191     1.101  100.000   97.937
LGA    G    72_A      G    72_A     0.586     0    0.081   0.081     0.877   92.857   92.857
LGA    K    73_A      K    73_A     0.666     0    0.031   0.614     1.912   95.238   85.714
LGA    V    74_A      V    74_A     0.420     0    0.013   0.084     0.518   97.619   97.279
LGA    L    75_A      L    75_A     0.516     0    0.029   0.053     0.555   95.238   95.238
LGA    E    76_A      E    76_A     0.469     0    0.015   0.281     0.805   97.619   96.825
LGA    D    77_A      D    77_A     0.504     0    0.021   0.122     0.636   92.857   96.429
LGA    S    78_A      S    78_A     0.317     0    0.089   0.095     0.692   97.619   98.413
LGA    K    79_A      K    79_A     0.194     0    0.035   0.699     3.057  100.000   88.307
LGA    T    80_A      T    80_A     0.059     0    0.013   0.042     0.316  100.000  100.000
LGA    L    81_A      L    81_A     0.222     0    0.018   0.073     0.465  100.000  100.000
LGA    A    82_A      A    82_A     0.529     0    0.025   0.027     0.622   92.857   92.381
LGA    D    83_A      D    83_A     0.599     0    0.055   0.224     1.059   90.476   91.726
LGA    Y    84_A      Y    84_A     0.543     0    0.025   0.066     0.592   90.476   96.825
LGA    N    85_A      N    85_A     0.515     0    0.058   0.086     0.669   90.476   95.238
LGA    I    86_A      I    86_A     0.304     0    0.036   0.088     0.663   97.619   98.810
LGA    Q    87_A      Q    87_A     0.512     0    0.009   0.404     1.243   97.619   92.646
LGA    E    88_A      E    88_A     0.320     0    0.020   0.787     2.830  100.000   90.053
LGA    N    89_A      N    89_A     0.197     0    0.022   0.188     0.464  100.000  100.000
LGA    D    90_A      D    90_A     0.246     0    0.024   0.206     1.252  100.000   95.298
LGA    V    91_A      V    91_A     0.279     0    0.045   0.061     0.420  100.000  100.000
LGA    L    92_A      L    92_A     0.340     0    0.058   0.073     0.504   97.619   98.810
LGA    Y    93_A      Y    93_A     0.250     0    0.029   0.099     0.963  100.000   96.032
LGA    L    94_A      L    94_A     0.466     0    0.046   0.047     0.595   97.619   95.238
LGA    V    95_A      V    95_A     0.405     0    0.025   0.048     0.438  100.000  100.000
LGA    R    96_A      R    96_A     0.404     0    0.040   0.394     2.419   95.238   83.506
LGA    R    97_A      R    97_A     1.138     0    0.083   1.160     5.599   83.690   66.190
LGA    L    98_A      L    98_A     2.378     0    0.062   0.191     5.757   68.810   51.905
LGA    K    99_A      K    99_A     1.599     0    0.055   0.701     9.697   53.810   39.365
LGA    S   100_A      S   100_A     5.688     0    0.052   0.558     6.502   24.881   23.730
LGA    P   101_A      P   101_A     9.568     0    0.203   0.246    11.189    1.429    1.020

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     633    633  100.00                79
SUMMARY(RMSD_GDC):     1.384          1.386                  1.641           93.681   90.112

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     78    0.92    96.519    98.029     7.680

LGA_LOCAL      RMSD:   0.916  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.409  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.384  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.921259 * X  +  -0.365718 * Y  +   0.132411 * Z  +  13.992069
  Y_new =   0.028421 * X  +   0.276226 * Y  +   0.960672 * Z  +  20.836132
  Z_new =  -0.387910 * X  +   0.888791 * Y  +  -0.244082 * Z  +  15.414637 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.110753  0.398363  1.838812   [DEG:  178.2330   22.8245  105.3561 ]
ZXZ:  3.004624  1.817369 -0.411526   [DEG:  172.1523  104.1276  -23.5787 ]
 
# END of job
