
#######################################################
#                                                     #
#                        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       2.32     2.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      23_A - 100_A       1.83     2.35
  LCS_AVERAGE:     97.61

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      24_A - 97_A        0.81     2.51
  LONGEST_CONTINUOUS_SEGMENT:    74      25_A - 98_A        0.96     2.45
  LCS_AVERAGE:     89.22

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      3   78   79      3    4    5    5    6    8   14   26   45   74   75   76   76   77   77   78   78   78   79   79 
LCS_GDT     G    24_A     G    24_A     74   78   79      3    4   43   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     S    25_A     S    25_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     M    26_A     M    26_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    27_A     K    27_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    28_A     I    28_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Y    29_A     Y    29_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     V    30_A     V    30_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    31_A     K    31_A     74   78   79     47   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    32_A     L    32_A     74   78   79     44   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Q    33_A     Q    33_A     74   78   79     47   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     D    34_A     D    34_A     74   78   79     37   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     G    35_A     G    35_A     74   78   79     29   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     T    36_A     T    36_A     74   78   79      8   50   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     V    37_A     V    37_A     74   78   79     36   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    38_A     I    38_A     74   78   79     29   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    39_A     E    39_A     74   78   79     47   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    40_A     L    40_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    41_A     E    41_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     V    42_A     V    42_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    43_A     E    43_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     P    44_A     P    44_A     74   78   79     28   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     S    45_A     S    45_A     74   78   79     28   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     D    46_A     D    46_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     T    47_A     T    47_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    48_A     I    48_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    49_A     L    49_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    50_A     E    50_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     V    51_A     V    51_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    52_A     K    52_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    53_A     E    53_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    54_A     K    54_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    55_A     I    55_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Y    56_A     Y    56_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    57_A     E    57_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    58_A     K    58_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     T    59_A     T    59_A     74   78   79     41   67   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     G    60_A     G    60_A     74   78   79     41   66   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    61_A     I    61_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     P    62_A     P    62_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     P    63_A     P    63_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    64_A     E    64_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     D    65_A     D    65_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Q    66_A     Q    66_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    67_A     I    67_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    68_A     L    68_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    69_A     I    69_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Y    70_A     Y    70_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    71_A     K    71_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     G    72_A     G    72_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    73_A     K    73_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     V    74_A     V    74_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    75_A     L    75_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    76_A     E    76_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     D    77_A     D    77_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     S    78_A     S    78_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    79_A     K    79_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     T    80_A     T    80_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    81_A     L    81_A     74   78   79     28   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     A    82_A     A    82_A     74   78   79     28   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     D    83_A     D    83_A     74   78   79     24   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Y    84_A     Y    84_A     74   78   79     28   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     N    85_A     N    85_A     74   78   79     28   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     I    86_A     I    86_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Q    87_A     Q    87_A     74   78   79     20   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     E    88_A     E    88_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     N    89_A     N    89_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     D    90_A     D    90_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     V    91_A     V    91_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    92_A     L    92_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     Y    93_A     Y    93_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    94_A     L    94_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     V    95_A     V    95_A     74   78   79     49   68   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     R    96_A     R    96_A     74   78   79      8   54   71   73   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     R    97_A     R    97_A     74   78   79      4   12   32   68   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     L    98_A     L    98_A     74   78   79      4    9   21   47   73   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     K    99_A     K    99_A      6   78   79      3    6   21   42   62   75   76   76   76   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     S   100_A     S   100_A      5   78   79      3    4    8   13   18   24   49   66   75   77   77   77   77   78   78   78   78   78   79   79 
LCS_GDT     P   101_A     P   101_A      4    8   79      3    4    5    9   11   11   13   15   16   32   44   68   71   78   78   78   78   78   79   79 
LCS_AVERAGE  LCS_A:  95.61  (  89.22   97.61  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     49     68     71     73     73     75     76     76     76     77     77     77     77     78     78     78     78     78     79     79 
GDT PERCENT_AT  62.03  86.08  89.87  92.41  92.41  94.94  96.20  96.20  96.20  97.47  97.47  97.47  97.47  98.73  98.73  98.73  98.73  98.73 100.00 100.00
GDT RMS_LOCAL    0.29   0.48   0.54   0.66   0.66   1.01   1.19   1.19   1.19   1.63   1.63   1.63   1.63   2.15   2.15   1.83   1.83   1.83   2.32   2.32
GDT RMS_ALL_AT   2.52   2.59   2.56   2.56   2.56   2.45   2.40   2.40   2.40   2.34   2.34   2.34   2.34   2.33   2.33   2.35   2.35   2.35   2.32   2.32

# Checking swapping
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  Y    84_A      Y    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    23_A      G    23_A     7.395     0    0.074   0.074     7.395   16.429   16.429
LGA    G    24_A      G    24_A     2.619     0    0.326   0.326     3.602   61.548   61.548
LGA    S    25_A      S    25_A     0.311     0    0.086   0.698     2.385   95.357   89.444
LGA    M    26_A      M    26_A     0.485     0    0.036   0.111     0.709   95.238   95.238
LGA    K    27_A      K    27_A     0.226     0    0.024   0.973     3.916  100.000   81.111
LGA    I    28_A      I    28_A     0.180     0    0.026   0.058     0.299  100.000  100.000
LGA    Y    29_A      Y    29_A     0.346     0    0.018   0.079     0.855  100.000   96.825
LGA    V    30_A      V    30_A     0.570     0    0.018   0.078     0.681   90.476   90.476
LGA    K    31_A      K    31_A     0.786     0    0.061   0.365     1.316   90.476   88.466
LGA    L    32_A      L    32_A     0.966     0    0.034   1.101     2.848   88.214   78.631
LGA    Q    33_A      Q    33_A     0.975     0    0.034   1.303     5.194   85.952   65.132
LGA    D    34_A      D    34_A     1.380     0    0.042   0.153     1.694   79.286   77.143
LGA    G    35_A      G    35_A     1.510     0    0.033   0.033     1.840   75.000   75.000
LGA    T    36_A      T    36_A     2.094     0    0.093   1.099     4.356   70.833   64.354
LGA    V    37_A      V    37_A     1.104     0    0.019   0.062     1.375   81.429   82.721
LGA    I    38_A      I    38_A     1.084     0    0.087   1.391     3.425   88.214   77.857
LGA    E    39_A      E    39_A     0.515     0    0.079   0.745     2.821   90.476   79.101
LGA    L    40_A      L    40_A     0.364     0    0.008   0.057     0.423  100.000  100.000
LGA    E    41_A      E    41_A     0.429     0    0.039   0.811     3.059   97.619   86.190
LGA    V    42_A      V    42_A     0.412     0    0.069   0.121     0.976   95.238   97.279
LGA    E    43_A      E    43_A     0.572     0    0.042   1.038     4.064   92.857   77.090
LGA    P    44_A      P    44_A     0.986     0    0.066   0.089     1.084   90.476   87.891
LGA    S    45_A      S    45_A     0.842     0    0.008   0.696     3.405   90.476   82.222
LGA    D    46_A      D    46_A     0.388     0    0.049   0.198     1.292   97.619   95.298
LGA    T    47_A      T    47_A     0.307     0    0.030   0.057     0.680  100.000   98.639
LGA    I    48_A      I    48_A     0.302     0    0.033   0.044     0.481  100.000  100.000
LGA    L    49_A      L    49_A     0.541     0    0.022   0.055     0.696   92.857   91.667
LGA    E    50_A      E    50_A     0.586     0    0.010   0.279     1.512   90.476   89.577
LGA    V    51_A      V    51_A     0.435     0    0.044   0.061     0.549   97.619   98.639
LGA    K    52_A      K    52_A     0.512     0    0.020   0.088     0.956   92.857   92.593
LGA    E    53_A      E    53_A     0.580     0    0.018   0.187     1.447   90.476   87.460
LGA    K    54_A      K    54_A     0.560     0    0.007   0.548     1.588   90.476   87.513
LGA    I    55_A      I    55_A     0.627     0    0.027   0.085     0.823   90.476   92.857
LGA    Y    56_A      Y    56_A     0.724     0    0.035   0.111     0.803   90.476   92.857
LGA    E    57_A      E    57_A     0.664     0    0.007   0.946     2.303   90.476   82.698
LGA    K    58_A      K    58_A     0.715     0    0.027   0.508     2.407   88.214   83.651
LGA    T    59_A      T    59_A     0.883     0    0.035   0.066     1.014   88.214   89.184
LGA    G    60_A      G    60_A     0.919     0    0.015   0.015     0.919   90.476   90.476
LGA    I    61_A      I    61_A     0.517     0    0.036   0.105     0.618   92.857   94.048
LGA    P    62_A      P    62_A     0.725     0    0.039   0.048     0.789   90.476   90.476
LGA    P    63_A      P    63_A     0.732     0    0.024   0.044     0.818   90.476   90.476
LGA    E    64_A      E    64_A     1.087     0    0.056   0.903     4.162   88.214   74.127
LGA    D    65_A      D    65_A     0.508     0    0.027   0.162     0.785   92.857   94.048
LGA    Q    66_A      Q    66_A     0.560     0    0.024   0.084     0.662   90.476   92.593
LGA    I    67_A      I    67_A     0.618     0    0.068   0.526     2.666   92.857   87.500
LGA    L    68_A      L    68_A     0.563     0    0.021   0.061     0.642   90.476   90.476
LGA    I    69_A      I    69_A     0.543     0    0.064   0.061     1.033   95.238   91.726
LGA    Y    70_A      Y    70_A     0.220     0    0.014   0.124     0.786  100.000   96.825
LGA    K    71_A      K    71_A     0.434     0    0.060   0.756     4.449   95.238   83.069
LGA    G    72_A      G    72_A     0.831     0    0.132   0.132     1.486   88.214   88.214
LGA    K    73_A      K    73_A     0.555     0    0.040   0.600     1.865   92.857   83.704
LGA    V    74_A      V    74_A     0.510     0    0.009   0.044     0.617   90.476   93.197
LGA    L    75_A      L    75_A     0.493     0    0.018   0.047     0.628   95.238   97.619
LGA    E    76_A      E    76_A     0.644     0    0.023   0.786     3.295   90.476   72.487
LGA    D    77_A      D    77_A     0.653     0    0.025   0.079     0.777   90.476   91.667
LGA    S    78_A      S    78_A     0.569     0    0.060   0.598     2.943   95.238   88.095
LGA    K    79_A      K    79_A     0.403     0    0.041   0.748     4.413   97.619   82.222
LGA    T    80_A      T    80_A     0.320     0    0.025   0.045     0.495  100.000  100.000
LGA    L    81_A      L    81_A     0.587     0    0.015   0.105     0.862   92.857   91.667
LGA    A    82_A      A    82_A     0.834     0    0.030   0.038     0.892   90.476   90.476
LGA    D    83_A      D    83_A     0.956     0    0.149   0.241     1.576   81.548   86.012
LGA    Y    84_A      Y    84_A     0.919     0    0.055   0.186     0.950   90.476   92.857
LGA    N    85_A      N    85_A     0.954     0    0.015   0.878     3.923   90.476   74.226
LGA    I    86_A      I    86_A     0.539     0    0.028   0.072     0.825   90.476   94.048
LGA    Q    87_A      Q    87_A     1.025     0    0.047   1.076     2.260   90.595   82.751
LGA    E    88_A      E    88_A     0.466     0    0.036   0.723     2.617   97.619   88.995
LGA    N    89_A      N    89_A     0.215     0    0.020   0.031     0.398  100.000  100.000
LGA    D    90_A      D    90_A     0.249     0    0.018   0.075     0.879  100.000   96.429
LGA    V    91_A      V    91_A     0.549     0    0.033   1.131     3.193   97.619   86.258
LGA    L    92_A      L    92_A     0.520     0    0.061   0.114     0.776   92.857   95.238
LGA    Y    93_A      Y    93_A     0.368     0    0.066   0.130     0.854   97.619   94.444
LGA    L    94_A      L    94_A     0.384     0    0.034   0.084     0.797   95.238   94.048
LGA    V    95_A      V    95_A     0.440     0    0.128   1.175     2.699  100.000   88.844
LGA    R    96_A      R    96_A     1.137     0    0.635   0.616     3.347   79.524   73.290
LGA    R    97_A      R    97_A     3.437     0    0.159   0.854     6.606   46.905   38.788
LGA    L    98_A      L    98_A     4.645     0    0.124   1.359     8.043   31.548   28.333
LGA    K    99_A      K    99_A     5.487     0    0.070   1.188     8.230   16.786   19.471
LGA    S   100_A      S   100_A    10.207     0    0.075   0.675    11.314    1.190    0.794
LGA    P   101_A      P   101_A    13.665     0    0.093   0.288    15.125    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):     2.316          2.326                  2.410           86.201   82.567

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     76    1.19    93.354    95.117     5.883

LGA_LOCAL      RMSD:   1.192  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.396  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   2.316  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.089274 * X  +   0.085166 * Y  +   0.992359 * Z  +  22.185440
  Y_new =   0.663684 * X  +   0.737826 * Y  +  -0.123028 * Z  +  22.853418
  Z_new =  -0.742667 * X  +   0.669596 * Y  +   0.009345 * Z  +  56.230213 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.437086  0.837044  1.556841   [DEG:   82.3390   47.9591   89.2004 ]
ZXZ:  1.447451  1.561451 -0.837092   [DEG:   82.9328   89.4645  -47.9619 ]
 
# END of job
