
#######################################################
#                                                     #
#                        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       1.33     1.33
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.33     1.33
  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     1.36
  LCS_AVERAGE:     97.58

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   54   74   75   76   77   77   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    3   50   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     78   79   79     62   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     78   79   79     22   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     78   79   79     46   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     78   79   79     69   73   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     78   79   79     22   73   74   75   76   77   77   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   24   74   75   76   77   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     78   79   79     14   71   74   75   76   77   77   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    8   10   75   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      6   79   79      3    4    8    9    9   14   18   24   27   65   78   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  99.19  (  97.58  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     69     73     74     75     76     77     77     78     78     78     78     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  87.34  92.41  93.67  94.94  96.20  97.47  97.47  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    0.29   0.36   0.44   0.48   0.57   0.64   0.64   0.92   0.92   0.92   0.92   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33
GDT RMS_ALL_AT   1.44   1.44   1.41   1.43   1.40   1.41   1.41   1.36   1.36   1.36   1.36   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33

# Checking swapping
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    39_A      E    39_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     2.163     0    0.316   0.316     2.687   62.976   62.976
LGA    G    24_A      G    24_A     2.706     0    0.423   0.423     2.706   68.929   68.929
LGA    S    25_A      S    25_A     0.517     0    0.053   0.767     2.349   85.952   81.667
LGA    M    26_A      M    26_A     0.561     0    0.064   0.122     0.849   92.857   91.667
LGA    K    27_A      K    27_A     0.175     0    0.032   0.672     2.735  100.000   90.159
LGA    I    28_A      I    28_A     0.091     0    0.041   0.055     0.248  100.000  100.000
LGA    Y    29_A      Y    29_A     0.130     0    0.070   0.207     1.014  100.000   96.071
LGA    V    30_A      V    30_A     0.507     0    0.024   0.073     0.732   95.238   94.558
LGA    K    31_A      K    31_A     0.476     0    0.053   0.420     1.378   97.619   93.704
LGA    L    32_A      L    32_A     0.595     0    0.010   1.064     2.435   90.476   82.917
LGA    Q    33_A      Q    33_A     0.597     0    0.049   1.265     4.993   90.476   68.413
LGA    D    34_A      D    34_A     0.638     0    0.023   0.280     1.037   90.476   90.536
LGA    G    35_A      G    35_A     0.702     0    0.060   0.060     0.929   90.476   90.476
LGA    T    36_A      T    36_A     1.239     0    0.073   1.069     3.308   88.214   79.592
LGA    V    37_A      V    37_A     0.502     0    0.013   0.090     0.693   92.857   93.197
LGA    I    38_A      I    38_A     0.406     0    0.097   1.073     2.772   97.619   86.667
LGA    E    39_A      E    39_A     0.383     0    0.031   0.474     1.923  100.000   93.810
LGA    L    40_A      L    40_A     0.145     0    0.051   0.833     2.085  100.000   89.881
LGA    E    41_A      E    41_A     0.401     0    0.026   0.986     3.052  100.000   81.640
LGA    V    42_A      V    42_A     0.354     0    0.084   0.108     0.913   97.619   98.639
LGA    E    43_A      E    43_A     0.412     0    0.068   1.244     4.052   97.619   81.005
LGA    P    44_A      P    44_A     0.565     0    0.026   0.035     0.700   90.476   90.476
LGA    S    45_A      S    45_A     0.404     0    0.078   0.366     1.629   97.619   92.302
LGA    D    46_A      D    46_A     0.192     0    0.023   0.210     0.906  100.000   98.810
LGA    T    47_A      T    47_A     0.160     0    0.040   0.070     0.481  100.000  100.000
LGA    I    48_A      I    48_A     0.224     0    0.020   0.079     0.291  100.000  100.000
LGA    L    49_A      L    49_A     0.536     0    0.054   0.114     0.673   95.238   92.857
LGA    E    50_A      E    50_A     0.536     0    0.033   0.319     1.283   95.238   92.646
LGA    V    51_A      V    51_A     0.454     0    0.010   0.053     0.562  100.000   98.639
LGA    K    52_A      K    52_A     0.420     0    0.021   0.172     1.021  100.000   95.820
LGA    E    53_A      E    53_A     0.371     0    0.072   0.081     0.782  100.000   96.825
LGA    K    54_A      K    54_A     0.471     0    0.030   0.550     1.562   97.619   90.688
LGA    I    55_A      I    55_A     0.397     0    0.027   0.061     0.660  100.000   98.810
LGA    Y    56_A      Y    56_A     0.303     0    0.017   0.085     0.351  100.000  100.000
LGA    E    57_A      E    57_A     0.393     0    0.017   0.882     3.184  100.000   88.413
LGA    K    58_A      K    58_A     0.365     0    0.034   0.615     3.001  100.000   88.307
LGA    T    59_A      T    59_A     0.361     0    0.040   0.052     0.430  100.000  100.000
LGA    G    60_A      G    60_A     0.415     0    0.050   0.050     0.434  100.000  100.000
LGA    I    61_A      I    61_A     0.249     0    0.010   0.075     0.274  100.000  100.000
LGA    P    62_A      P    62_A     0.301     0    0.023   0.033     0.446  100.000  100.000
LGA    P    63_A      P    63_A     0.354     0    0.021   0.025     0.371  100.000  100.000
LGA    E    64_A      E    64_A     0.251     0    0.034   0.550     2.357  100.000   92.963
LGA    D    65_A      D    65_A     0.350     0    0.042   0.174     0.697  100.000   97.619
LGA    Q    66_A      Q    66_A     0.462     0    0.026   0.061     0.574  100.000   95.767
LGA    I    67_A      I    67_A     0.357     0    0.087   0.099     0.750  100.000   97.619
LGA    L    68_A      L    68_A     0.424     0    0.004   0.054     0.584   97.619   95.238
LGA    I    69_A      I    69_A     0.395     0    0.043   0.069     0.807  100.000   95.238
LGA    Y    70_A      Y    70_A     0.287     0    0.036   0.122     0.801  100.000   97.619
LGA    K    71_A      K    71_A     0.342     0    0.039   0.192     1.145  100.000   97.937
LGA    G    72_A      G    72_A     0.584     0    0.086   0.086     0.896   92.857   92.857
LGA    K    73_A      K    73_A     0.726     0    0.040   0.608     1.842   95.238   85.714
LGA    V    74_A      V    74_A     0.390     0    0.016   0.069     0.474  100.000  100.000
LGA    L    75_A      L    75_A     0.476     0    0.019   0.062     0.481  100.000  100.000
LGA    E    76_A      E    76_A     0.471     0    0.017   0.481     1.291   97.619   94.815
LGA    D    77_A      D    77_A     0.497     0    0.043   0.129     0.753   95.238   97.619
LGA    S    78_A      S    78_A     0.306     0    0.060   0.059     0.669   97.619   98.413
LGA    K    79_A      K    79_A     0.216     0    0.035   0.708     3.001  100.000   88.307
LGA    T    80_A      T    80_A     0.068     0    0.015   0.049     0.316  100.000  100.000
LGA    L    81_A      L    81_A     0.257     0    0.016   0.076     0.485  100.000  100.000
LGA    A    82_A      A    82_A     0.511     0    0.023   0.025     0.588   92.857   92.381
LGA    D    83_A      D    83_A     0.585     0    0.057   0.231     1.100   90.476   91.726
LGA    Y    84_A      Y    84_A     0.514     0    0.027   0.096     0.524   90.476   96.825
LGA    N    85_A      N    85_A     0.441     0    0.060   0.113     0.613   95.238   96.429
LGA    I    86_A      I    86_A     0.301     0    0.047   0.092     0.746   97.619   98.810
LGA    Q    87_A      Q    87_A     0.624     0    0.025   0.389     1.286   97.619   88.624
LGA    E    88_A      E    88_A     0.241     0    0.020   0.810     2.749  100.000   90.053
LGA    N    89_A      N    89_A     0.108     0    0.019   0.238     0.580  100.000   98.810
LGA    D    90_A      D    90_A     0.259     0    0.027   0.185     1.084  100.000   95.298
LGA    V    91_A      V    91_A     0.297     0    0.046   0.073     0.475  100.000  100.000
LGA    L    92_A      L    92_A     0.335     0    0.069   0.107     0.559   97.619   98.810
LGA    Y    93_A      Y    93_A     0.173     0    0.029   0.074     0.765  100.000   96.825
LGA    L    94_A      L    94_A     0.387     0    0.044   0.422     1.443  100.000   95.298
LGA    V    95_A      V    95_A     0.299     0    0.023   0.047     0.352  100.000  100.000
LGA    R    96_A      R    96_A     0.277     0    0.043   0.517     2.731   95.238   86.797
LGA    R    97_A      R    97_A     1.135     0    0.117   1.140     5.602   83.690   67.403
LGA    L    98_A      L    98_A     2.233     0    0.006   0.206     5.397   70.833   55.000
LGA    K    99_A      K    99_A     1.621     0    0.068   0.874     8.959   56.786   43.651
LGA    S   100_A      S   100_A     5.594     0    0.049   0.538     6.394   25.833   25.159
LGA    P   101_A      P   101_A     8.944     0    0.206   0.251    10.177    2.738    1.973

# 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):     1.335          1.353                  1.591           93.529   89.730

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     78    0.92    96.519    97.790     7.662

LGA_LOCAL      RMSD:   0.918  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.358  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.335  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.656963 * X  +  -0.417513 * Y  +   0.627759 * Z  +  14.941516
  Y_new =  -0.724983 * X  +  -0.121369 * Y  +   0.677989 * Z  +  21.251150
  Z_new =  -0.206879 * X  +  -0.900529 * Y  +  -0.382425 * Z  +  15.324438 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.834578  0.208384 -1.972385   [DEG:  -47.8178   11.9395 -113.0093 ]
ZXZ:  2.394644  1.963215 -2.915780   [DEG:  137.2030  112.4840 -167.0619 ]
 
# END of job
