
#######################################################
#                                                     #
#                        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   88 (  638),  selected   88 , name one
# Molecule2: number of CA atoms  121 (  907),  selected   88 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88      29_C - 116_C       1.54     1.54
  LCS_AVERAGE:     72.73

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88      29_C - 116_C       1.54     1.54
  LCS_AVERAGE:     72.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51      66_C - 116_C       0.92     1.56
  LCS_AVERAGE:     32.27

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   88
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     I    29_B     I    29_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    30_B     Q    30_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    31_B     G    31_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    32_B     C    32_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    33_B     T    33_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    34_B     I    34_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    35_B     V    35_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    36_B     T    36_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    37_B     T    37_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    38_B     Q    38_C     19   88   88     24   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    39_B     G    39_C     19   88   88      6   57   67   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    40_B     L    40_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    41_B     P    41_C     19   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    42_B     I    42_C     19   88   88     24   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    43_B     T    43_C     19   88   88     28   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    44_B     S    44_C     19   88   88     16   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    45_B     L    45_C     19   88   88      6   26   60   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    46_B     L    46_C     19   88   88      6   46   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    47_B     A    47_C     19   88   88      4   12   36   63   81   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    48_B     D    48_C      9   88   88      4    7   17   38   74   83   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    49_B     D    49_C      9   88   88      4    7   17   30   43   78   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    50_B     A    50_C      9   88   88      4   37   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    51_B     N    51_C     22   88   88      4    5   20   53   72   83   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    52_B     V    52_C     23   88   88      4    5   17   44   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    53_B     S    53_C     23   88   88      4    5   13   21   32   83   85   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    54_B     L    54_C     23   88   88     11   30   49   74   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    55_B     I    55_C     23   88   88      6   54   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    56_B     S    56_C     23   88   88      7   18   31   70   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    57_B     A    57_C     23   88   88     11   18   45   72   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     M    58_B     M    58_C     23   88   88     11   32   56   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    59_B     S    59_C     23   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    60_B     A    60_C     23   88   88     11   36   64   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    61_B     A    61_C     23   88   88     11   25   46   73   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    62_B     I    62_C     48   88   88     11   32   52   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    63_B     I    63_C     49   88   88     28   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    64_B     S    64_C     49   88   88     10   30   59   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    65_B     V    65_C     49   88   88     11   18   42   67   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    66_B     A    66_C     51   88   88     11   27   60   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    67_B     E    67_C     51   88   88     17   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    68_B     S    68_C     51   88   88     11   22   46   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    69_B     A    69_C     51   88   88     10   19   58   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    70_B     S    70_C     51   88   88     25   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    71_B     Q    71_C     51   88   88     11   53   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    72_B     E    72_C     51   88   88      4   42   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    73_B     L    73_C     51   88   88     25   53   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    74_B     Q    74_C     51   88   88     28   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    75_B     R    75_C     51   88   88     26   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    76_B     G    76_C     51   88   88     25   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y    77_B     Y    77_C     51   88   88     13   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    78_B     L    78_C     51   88   88     25   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    79_B     Q    79_C     51   88   88     29   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    80_B     R    80_C     51   88   88     29   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    81_B     I    81_C     51   88   88     24   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    82_B     L    82_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    83_B     L    83_C     51   88   88     22   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    84_B     E    84_C     51   88   88     29   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    85_B     G    85_C     51   88   88     14   54   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    86_B     E    86_C     51   88   88     17   53   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    87_B     L    87_C     51   88   88     26   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    88_B     G    88_C     51   88   88     28   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    89_B     T    89_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    90_B     I    90_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    91_B     I    91_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    92_B     I    92_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    93_B     S    93_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    94_B     K    94_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    95_B     A    95_C     51   88   88     25   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    96_B     G    96_C     51   88   88     25   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    97_B     P    97_C     51   88   88     25   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     H    98_B     H    98_C     51   88   88     25   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    99_B     A    99_C     51   88   88     26   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I   100_B     I   100_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L   101_B     L   101_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V   102_B     V   102_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     S   103_B     S   103_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L   104_B     L   104_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     V   105_B     V   105_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D   106_B     D   106_C     51   88   88     26   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K   107_B     K   107_C     51   88   88     22   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     D   108_B     D   108_C     51   88   88     11   49   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     A   109_B     A   109_C     51   88   88     28   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     K   110_B     K   110_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L   111_B     L   111_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     G   112_B     G   112_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I   113_B     I   113_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     I   114_B     I   114_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     L   115_B     L   115_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_GDT     M   116_B     M   116_C     51   88   88     32   58   68   75   82   84   86   87   88   88   88   88   88   88   88   88   88   88   88   88 
LCS_AVERAGE  LCS_A:  59.24  (  32.27   72.73   72.73 )

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     32     58     68     75     82     84     86     87     88     88     88     88     88     88     88     88     88     88     88     88 
GDT PERCENT_AT  26.45  47.93  56.20  61.98  67.77  69.42  71.07  71.90  72.73  72.73  72.73  72.73  72.73  72.73  72.73  72.73  72.73  72.73  72.73  72.73
GDT RMS_LOCAL    0.32   0.60   0.80   0.99   1.22   1.30   1.40   1.46   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54
GDT RMS_ALL_AT   1.90   1.68   1.60   1.58   1.56   1.55   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54   1.54

# Checking swapping
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    86_B      E    86_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    I    29_B      I    29_C     0.297     0    0.047   0.652     2.825  100.000   92.262
LGA    Q    30_B      Q    30_C     0.164     0    0.080   0.983     3.792   97.619   74.974
LGA    G    31_B      G    31_C     0.607     0    0.027   0.027     0.607   97.619   97.619
LGA    C    32_B      C    32_C     0.593     0    0.023   0.091     1.070   88.214   88.968
LGA    T    33_B      T    33_C     0.617     0    0.025   1.151     2.860   92.857   83.401
LGA    I    34_B      I    34_C     0.759     0    0.023   1.156     3.045   88.214   79.881
LGA    V    35_B      V    35_C     1.156     0    0.096   1.081     2.900   83.690   76.871
LGA    T    36_B      T    36_C     0.949     0    0.069   1.105     3.175   88.214   80.816
LGA    T    37_B      T    37_C     0.723     0    0.087   0.103     1.121   88.214   87.891
LGA    Q    38_B      Q    38_C     1.205     0    0.164   1.090     6.489   83.690   59.735
LGA    G    39_B      G    39_C     1.654     0    0.065   0.065     2.048   70.833   70.833
LGA    L    40_B      L    40_C     1.473     0    0.064   1.423     4.922   79.286   62.738
LGA    P    41_B      P    41_C     1.098     0    0.077   0.114     1.605   79.286   82.789
LGA    I    42_B      I    42_C     1.202     0    0.034   0.593     1.605   81.429   78.214
LGA    T    43_B      T    43_C     0.982     0    0.070   1.052     2.272   85.952   79.252
LGA    S    44_B      S    44_C     0.639     0    0.038   0.573     2.591   83.810   80.476
LGA    L    45_B      L    45_C     1.795     0    0.569   0.784     4.700   60.714   67.083
LGA    L    46_B      L    46_C     1.355     0    0.051   0.854     2.940   71.190   74.405
LGA    A    47_B      A    47_C     3.144     0    0.054   0.057     3.524   53.571   51.524
LGA    D    48_B      D    48_C     4.074     0    0.161   0.182     4.982   37.262   35.060
LGA    D    49_B      D    49_C     4.827     0    0.094   0.903     7.297   35.833   26.667
LGA    A    50_B      A    50_C     1.742     0    0.567   0.572     3.759   61.548   65.524
LGA    N    51_B      N    51_C     3.294     0    0.578   1.277     8.892   63.095   38.393
LGA    V    52_B      V    52_C     2.857     0    0.065   0.146     6.482   59.762   48.095
LGA    S    53_B      S    53_C     4.088     0    0.095   0.667     5.520   46.786   40.000
LGA    L    54_B      L    54_C     2.380     0    0.045   1.392     6.616   73.095   57.976
LGA    I    55_B      I    55_C     1.655     0    0.030   1.281     6.681   81.548   59.107
LGA    S    56_B      S    56_C     2.474     0    0.031   0.729     5.615   66.786   55.317
LGA    A    57_B      A    57_C     2.676     0    0.027   0.045     3.631   62.857   58.952
LGA    M    58_B      M    58_C     2.129     0    0.060   0.401     6.140   72.976   55.119
LGA    S    59_B      S    59_C     1.141     0    0.023   0.044     2.685   88.214   79.127
LGA    A    60_B      A    60_C     1.665     0    0.041   0.044     2.729   77.262   73.238
LGA    A    61_B      A    61_C     2.508     0    0.031   0.044     3.288   64.881   61.905
LGA    I    62_B      I    62_C     2.033     0    0.029   1.358     4.324   72.976   59.286
LGA    I    63_B      I    63_C     0.331     0    0.017   0.203     2.017   95.238   86.310
LGA    S    64_B      S    64_C     1.876     0    0.061   0.671     4.763   70.952   62.063
LGA    V    65_B      V    65_C     2.992     0    0.041   1.242     6.307   60.952   49.660
LGA    A    66_B      A    66_C     1.870     0    0.052   0.051     2.289   81.667   78.286
LGA    E    67_B      E    67_C     0.573     0    0.030   0.678     3.475   92.857   77.407
LGA    S    68_B      S    68_C     2.248     0    0.028   0.700     3.058   66.786   61.190
LGA    A    69_B      A    69_C     2.199     0    0.026   0.038     2.897   75.119   71.524
LGA    S    70_B      S    70_C     0.870     0    0.018   0.584     2.732   90.476   83.413
LGA    Q    71_B      Q    71_C     1.279     0    0.016   0.795     4.847   83.690   66.984
LGA    E    72_B      E    72_C     1.246     0    0.068   0.367     2.978   85.952   72.540
LGA    L    73_B      L    73_C     0.744     0    0.198   1.344     5.363   88.214   67.619
LGA    Q    74_B      Q    74_C     1.009     0    0.095   1.163     5.387   88.333   64.762
LGA    R    75_B      R    75_C     0.401     0    0.252   1.659     4.065   88.452   74.156
LGA    G    76_B      G    76_C     0.779     0    0.100   0.100     1.184   90.595   90.595
LGA    Y    77_B      Y    77_C     1.026     0    0.044   1.293     6.569   88.214   65.437
LGA    L    78_B      L    78_C     1.103     0    0.015   0.115     1.904   83.690   80.417
LGA    Q    79_B      Q    79_C     0.636     0    0.249   0.808     2.859   88.214   76.349
LGA    R    80_B      R    80_C     0.675     0    0.075   0.773     2.789   90.476   77.576
LGA    I    81_B      I    81_C     0.863     0    0.075   1.107     2.789   88.214   76.548
LGA    L    82_B      L    82_C     1.145     0    0.173   1.093     3.064   85.952   78.690
LGA    L    83_B      L    83_C     0.650     0    0.150   1.203     4.177   90.476   76.310
LGA    E    84_B      E    84_C     0.381     0    0.182   0.237     0.741   97.619   96.825
LGA    G    85_B      G    85_C     0.702     0    0.059   0.059     0.702   92.857   92.857
LGA    E    86_B      E    86_C     0.837     0    0.146   0.674     2.389   88.214   79.735
LGA    L    87_B      L    87_C     0.372     0    0.183   0.176     1.391   97.619   90.655
LGA    G    88_B      G    88_C     0.523     0    0.076   0.076     0.523   97.619   97.619
LGA    T    89_B      T    89_C     0.589     0    0.071   1.156     2.551   92.857   84.558
LGA    I    90_B      I    90_C     0.572     0    0.044   1.503     4.445   90.476   75.476
LGA    I    91_B      I    91_C     0.715     0    0.096   0.621     2.636   90.476   86.310
LGA    I    92_B      I    92_C     0.650     0    0.124   1.474     5.505   90.476   72.738
LGA    S    93_B      S    93_C     0.654     0    0.087   0.164     1.097   90.476   88.968
LGA    K    94_B      K    94_C     0.657     0    0.022   1.229     3.039   90.476   78.413
LGA    A    95_B      A    95_C     0.754     0    0.150   0.146     1.083   88.214   88.667
LGA    G    96_B      G    96_C     0.816     0    0.050   0.050     0.821   90.476   90.476
LGA    P    97_B      P    97_C     0.401     0    0.124   0.424     1.458   95.238   91.905
LGA    H    98_B      H    98_C     0.481     0    0.179   1.422     6.357   90.595   62.238
LGA    A    99_B      A    99_C     0.406     0    0.051   0.067     0.511  100.000   98.095
LGA    I   100_B      I   100_C     0.489     0    0.027   1.513     4.415   95.238   77.857
LGA    L   101_B      L   101_C     0.568     0    0.032   0.099     0.732   95.238   92.857
LGA    V   102_B      V   102_C     0.552     0    0.046   1.108     2.818   92.857   84.558
LGA    S   103_B      S   103_C     0.358     0    0.127   0.683     2.403   97.619   92.540
LGA    L   104_B      L   104_C     0.312     0    0.081   0.151     0.776   97.619   98.810
LGA    V   105_B      V   105_C     0.556     0    0.034   1.228     3.107   95.238   83.605
LGA    D   106_B      D   106_C     0.578     0    0.075   0.305     1.732   97.619   88.512
LGA    K   107_B      K   107_C     0.270     0    0.028   1.145     8.176   97.619   66.984
LGA    D   108_B      D   108_C     0.853     0    0.216   1.184     5.612   92.857   67.857
LGA    A   109_B      A   109_C     0.244     0    0.020   0.035     1.036   92.976   94.381
LGA    K   110_B      K   110_C     1.580     0    0.079   1.498     5.340   79.286   63.915
LGA    L   111_B      L   111_C     1.429     0    0.064   1.408     4.577   79.286   67.143
LGA    G   112_B      G   112_C     1.510     0    0.047   0.047     1.510   79.286   79.286
LGA    I   113_B      I   113_C     1.556     0    0.032   1.479     3.816   77.143   68.690
LGA    I   114_B      I   114_C     1.279     0    0.041   0.170     2.293   83.690   79.405
LGA    L   115_B      L   115_C     0.994     0    0.078   0.154     1.372   90.595   87.143
LGA    M   116_B      M   116_C     1.275     0    0.180   0.628     3.743   79.286   66.667

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       88     352    352  100.00     638    638  100.00               121
SUMMARY(RMSD_GDC):     1.540          1.468                  2.340           60.504   54.191

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   88  121    4.0     87    1.46    63.636    68.117     5.566

LGA_LOCAL      RMSD:   1.463  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.543  Number of assigned atoms:   88 
Std_ASGN_ATOMS RMSD:   1.540  Standard rmsd on all 88 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.090724 * X  +  -0.533379 * Y  +  -0.840997 * Z  +  10.314224
  Y_new =   0.976874 * X  +  -0.211843 * Y  +   0.028974 * Z  + -11.394658
  Z_new =  -0.193614 * X  +  -0.818920 * Y  +   0.540263 * Z  +  46.081108 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.663402  0.194844 -0.987614   [DEG:   95.3059   11.1637  -56.5861 ]
ZXZ: -1.605235  1.000047 -2.909430   [DEG:  -91.9732   57.2985 -166.6981 ]
 
# END of job
