
#######################################################
#                                                     #
#                        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       2.43     2.43
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      23_A - 100_A       1.76     2.45
  LCS_AVERAGE:     97.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        0.48     2.57
  LCS_AVERAGE:     92.69

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     76   78   79      3   34   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     G    24_A     G    24_A     76   78   79      7   72   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     S    25_A     S    25_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     M    26_A     M    26_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    27_A     K    27_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    28_A     I    28_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Y    29_A     Y    29_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     V    30_A     V    30_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    31_A     K    31_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    32_A     L    32_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Q    33_A     Q    33_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     D    34_A     D    34_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     G    35_A     G    35_A     76   78   79     59   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     T    36_A     T    36_A     76   78   79     25   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     V    37_A     V    37_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    38_A     I    38_A     76   78   79     39   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    39_A     E    39_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    40_A     L    40_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    41_A     E    41_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     V    42_A     V    42_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    43_A     E    43_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     P    44_A     P    44_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     S    45_A     S    45_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     D    46_A     D    46_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     T    47_A     T    47_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    48_A     I    48_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    49_A     L    49_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    50_A     E    50_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     V    51_A     V    51_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    52_A     K    52_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    53_A     E    53_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    54_A     K    54_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    55_A     I    55_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Y    56_A     Y    56_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    57_A     E    57_A     76   78   79     47   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    58_A     K    58_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     T    59_A     T    59_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     G    60_A     G    60_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    61_A     I    61_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     P    62_A     P    62_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     P    63_A     P    63_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    64_A     E    64_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     D    65_A     D    65_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Q    66_A     Q    66_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    67_A     I    67_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    68_A     L    68_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    69_A     I    69_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Y    70_A     Y    70_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    71_A     K    71_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     G    72_A     G    72_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    73_A     K    73_A     76   78   79     55   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     V    74_A     V    74_A     76   78   79     55   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    75_A     L    75_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    76_A     E    76_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     D    77_A     D    77_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     S    78_A     S    78_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    79_A     K    79_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     T    80_A     T    80_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    81_A     L    81_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     A    82_A     A    82_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     D    83_A     D    83_A     76   78   79     59   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Y    84_A     Y    84_A     76   78   79     59   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     N    85_A     N    85_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     I    86_A     I    86_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Q    87_A     Q    87_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     E    88_A     E    88_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     N    89_A     N    89_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     D    90_A     D    90_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     V    91_A     V    91_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    92_A     L    92_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     Y    93_A     Y    93_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    94_A     L    94_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     V    95_A     V    95_A     76   78   79     63   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     R    96_A     R    96_A     76   78   79     50   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     R    97_A     R    97_A     76   78   79     22   73   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     L    98_A     L    98_A     76   78   79      3   70   76   76   76   76   76   76   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     K    99_A     K    99_A      3   78   79      3    3    3    4    5    9   23   29   76   77   77   77   77   77   77   78   78   78   78   78 
LCS_GDT     S   100_A     S   100_A      3   78   79      3    3    3    4    5    9   10   10   11   17   19   19   22   24   77   78   78   78   78   78 
LCS_GDT     P   101_A     P   101_A      3    5   79      3    3    3    3    5    7   10   10   11   12   12   17   17   17   18   20   22   23   24   35 
LCS_AVERAGE  LCS_A:  96.75  (  92.69   97.56  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     63     73     76     76     76     76     76     76     76     77     77     77     77     77     77     78     78     78     78     78 
GDT PERCENT_AT  79.75  92.41  96.20  96.20  96.20  96.20  96.20  96.20  96.20  97.47  97.47  97.47  97.47  97.47  97.47  98.73  98.73  98.73  98.73  98.73
GDT RMS_LOCAL    0.27   0.39   0.48   0.48   0.48   0.48   0.48   0.48   0.48   1.09   1.09   1.09   1.09   1.09   1.09   1.76   1.76   1.76   1.76   1.76
GDT RMS_ALL_AT   2.58   2.59   2.57   2.57   2.57   2.57   2.57   2.57   2.57   2.51   2.51   2.51   2.51   2.51   2.51   2.45   2.45   2.45   2.45   2.45

# Checking swapping
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  E    43_A      E    43_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  Y    56_A      Y    56_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:  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     1.617     0    0.515   0.515     4.307   59.881   59.881
LGA    G    24_A      G    24_A     1.212     0    0.425   0.425     2.204   77.262   77.262
LGA    S    25_A      S    25_A     0.433     0    0.107   0.700     2.219   97.619   90.952
LGA    M    26_A      M    26_A     0.167     0    0.010   0.058     0.378  100.000  100.000
LGA    K    27_A      K    27_A     0.171     0    0.029   0.756     3.337  100.000   88.307
LGA    I    28_A      I    28_A     0.060     0    0.034   0.059     0.225  100.000  100.000
LGA    Y    29_A      Y    29_A     0.082     0    0.015   0.113     0.647  100.000   98.413
LGA    V    30_A      V    30_A     0.172     0    0.027   0.042     0.350  100.000  100.000
LGA    K    31_A      K    31_A     0.241     0    0.027   0.573     2.921  100.000   85.291
LGA    L    32_A      L    32_A     0.265     0    0.004   0.134     0.974  100.000   96.429
LGA    Q    33_A      Q    33_A     0.308     0    0.052   1.574     5.194  100.000   74.974
LGA    D    34_A      D    34_A     0.262     0    0.032   1.180     4.378   97.619   83.155
LGA    G    35_A      G    35_A     0.506     0    0.080   0.080     0.611   95.238   95.238
LGA    T    36_A      T    36_A     0.871     0    0.102   1.068     3.185   92.857   83.469
LGA    V    37_A      V    37_A     0.377     0    0.037   0.074     1.254   97.619   93.265
LGA    I    38_A      I    38_A     0.777     0    0.088   1.061     3.008   97.619   83.452
LGA    E    39_A      E    39_A     0.147     0    0.029   0.536     1.941  100.000   94.868
LGA    L    40_A      L    40_A     0.086     0    0.032   0.082     0.269  100.000  100.000
LGA    E    41_A      E    41_A     0.108     0    0.058   1.363     6.108  100.000   73.598
LGA    V    42_A      V    42_A     0.123     0    0.054   0.077     0.416  100.000  100.000
LGA    E    43_A      E    43_A     0.287     0    0.011   1.132     3.608   97.619   83.598
LGA    P    44_A      P    44_A     0.482     0    0.023   0.046     0.625   95.238   95.918
LGA    S    45_A      S    45_A     0.510     0    0.076   0.329     1.353   92.857   90.556
LGA    D    46_A      D    46_A     0.224     0    0.022   0.327     1.155  100.000   96.488
LGA    T    47_A      T    47_A     0.114     0    0.026   0.100     0.196  100.000  100.000
LGA    I    48_A      I    48_A     0.173     0    0.007   0.079     0.345  100.000  100.000
LGA    L    49_A      L    49_A     0.428     0    0.045   0.099     0.663  100.000   96.429
LGA    E    50_A      E    50_A     0.438     0    0.026   0.564     2.601  100.000   90.000
LGA    V    51_A      V    51_A     0.097     0    0.021   0.070     0.236  100.000  100.000
LGA    K    52_A      K    52_A     0.165     0    0.023   0.072     0.351  100.000  100.000
LGA    E    53_A      E    53_A     0.226     0    0.045   0.151     0.902  100.000   97.884
LGA    K    54_A      K    54_A     0.173     0    0.045   0.497     1.273   97.619   95.820
LGA    I    55_A      I    55_A     0.140     0    0.045   0.049     0.271  100.000  100.000
LGA    Y    56_A      Y    56_A     0.274     0    0.019   0.070     1.092  100.000   94.484
LGA    E    57_A      E    57_A     0.632     0    0.034   0.854     2.994   92.857   82.910
LGA    K    58_A      K    58_A     0.597     0    0.063   0.417     1.068   92.857   92.646
LGA    T    59_A      T    59_A     0.503     0    0.032   0.067     0.619   95.238   95.918
LGA    G    60_A      G    60_A     0.414     0    0.018   0.018     0.443  100.000  100.000
LGA    I    61_A      I    61_A     0.386     0    0.030   0.082     0.817   97.619   94.048
LGA    P    62_A      P    62_A     0.479     0    0.025   0.085     0.588   95.238   95.918
LGA    P    63_A      P    63_A     0.278     0    0.031   0.066     0.333  100.000  100.000
LGA    E    64_A      E    64_A     0.181     0    0.023   0.910     4.159  100.000   77.937
LGA    D    65_A      D    65_A     0.275     0    0.059   0.214     0.756  100.000   97.619
LGA    Q    66_A      Q    66_A     0.269     0    0.027   0.056     0.339  100.000  100.000
LGA    I    67_A      I    67_A     0.261     0    0.035   0.048     0.384  100.000  100.000
LGA    L    68_A      L    68_A     0.049     0    0.037   0.078     0.214  100.000  100.000
LGA    I    69_A      I    69_A     0.065     0    0.014   0.059     0.265  100.000  100.000
LGA    Y    70_A      Y    70_A     0.222     0    0.036   0.076     0.370  100.000  100.000
LGA    K    71_A      K    71_A     0.365     0    0.062   0.081     0.697   97.619   96.825
LGA    G    72_A      G    72_A     0.380     0    0.130   0.130     0.903   97.619   97.619
LGA    K    73_A      K    73_A     0.594     0    0.069   1.156     3.897   92.857   83.439
LGA    V    74_A      V    74_A     0.547     0    0.038   0.095     1.282   92.857   90.544
LGA    L    75_A      L    75_A     0.247     0    0.087   0.126     0.547   97.619   98.810
LGA    E    76_A      E    76_A     0.410     0    0.015   0.588     1.641  100.000   91.746
LGA    D    77_A      D    77_A     0.247     0    0.021   0.122     0.659  100.000   98.810
LGA    S    78_A      S    78_A     0.216     0    0.034   0.043     0.298  100.000  100.000
LGA    K    79_A      K    79_A     0.247     0    0.008   0.173     1.398  100.000   95.820
LGA    T    80_A      T    80_A     0.270     0    0.013   0.074     0.667   97.619   98.639
LGA    L    81_A      L    81_A     0.413     0    0.022   0.054     0.580   95.238   97.619
LGA    A    82_A      A    82_A     0.538     0    0.045   0.052     0.631   90.476   90.476
LGA    D    83_A      D    83_A     0.717     0    0.032   0.067     0.873   90.476   90.476
LGA    Y    84_A      Y    84_A     0.706     0    0.026   0.079     0.726   90.476   96.032
LGA    N    85_A      N    85_A     0.610     0    0.012   0.144     0.702   95.238   95.238
LGA    I    86_A      I    86_A     0.246     0    0.008   0.050     0.360  100.000  100.000
LGA    Q    87_A      Q    87_A     0.236     0    0.039   0.725     2.413   97.619   90.847
LGA    E    88_A      E    88_A     0.198     0    0.016   0.671     4.444  100.000   79.683
LGA    N    89_A      N    89_A     0.163     0    0.012   0.066     0.432  100.000  100.000
LGA    D    90_A      D    90_A     0.300     0    0.041   0.132     0.595  100.000   98.810
LGA    V    91_A      V    91_A     0.079     0    0.037   0.052     0.335  100.000  100.000
LGA    L    92_A      L    92_A     0.138     0    0.024   0.110     0.402  100.000  100.000
LGA    Y    93_A      Y    93_A     0.091     0    0.020   0.097     0.503  100.000   99.206
LGA    L    94_A      L    94_A     0.197     0    0.018   0.109     0.321  100.000  100.000
LGA    V    95_A      V    95_A     0.248     0    0.030   0.174     0.864  100.000   98.639
LGA    R    96_A      R    96_A     0.730     0    0.017   1.062     4.928   85.952   72.727
LGA    R    97_A      R    97_A     1.281     0    0.667   0.827     3.989   69.762   74.978
LGA    L    98_A      L    98_A     1.435     0    0.468   0.722     4.909   57.857   51.012
LGA    K    99_A      K    99_A     8.824     0    0.526   0.938    11.366    5.000    3.439
LGA    S   100_A      S   100_A    12.911     0    0.160   0.573    13.858    0.000    0.000
LGA    P   101_A      P   101_A    16.138     0    0.670   0.577    19.231    0.000    0.000

# 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):     2.431          2.582                  2.617           92.749   89.217

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     76    0.48    95.886    96.604    13.089

LGA_LOCAL      RMSD:   0.481  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.572  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   2.431  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.825100 * X  +  -0.057256 * Y  +  -0.562077 * Z  +  10.049392
  Y_new =  -0.540632 * X  +  -0.368953 * Y  +  -0.756036 * Z  +  75.334221
  Z_new =  -0.164092 * X  +   0.927683 * Y  +  -0.335378 * Z  +  -5.169638 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.580044  0.164838  1.917699   [DEG:  -33.2341    9.4445  109.8760 ]
ZXZ: -0.639298  1.912802 -0.175073   [DEG:  -36.6291  109.5955  -10.0310 ]
 
# END of job
