
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        2.37     2.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       8_A - 88_A        1.90     2.42
  LCS_AVERAGE:     96.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      11_A - 86_A        0.98     2.66
  LCS_AVERAGE:     84.18

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      3    4   83      0    3    3    3    4    4    4    6   17   22   24   77   78   81   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      3   80   83      0    3    3    4    4    4    4   15   63   79   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      3   81   83      3    3    3    4    4    4    4   48   76   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A      3   81   83      3    3    3    4    4    4   42   49   76   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A      3   81   83      3    3    3   15   35   46   73   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     76   81   83      1    3    3    4   73   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     76   81   83      3   49   69   73   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     76   81   83     45   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     76   81   83     54   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     76   81   83     57   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     76   81   83     55   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     76   81   83     53   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     76   81   83     35   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     76   81   83     10   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     76   81   83     10   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     76   81   83     35   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     76   81   83     59   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     76   81   83     58   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     76   81   83     57   68   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     76   81   83      7   65   72   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     76   81   83      4   16   61   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     76   81   83      3    6   18   42   57   72   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      4   81   83      3    4    4    6   21   48   71   76   78   79   81   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      4   81   83      3   37   65   74   75   75   77   77   78   80   81   82   82   82   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  93.55  (  84.18   96.46  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     59     68     72     74     75     75     77     77     78     80     81     82     82     82     83     83     83     83     83     83 
GDT PERCENT_AT  71.08  81.93  86.75  89.16  90.36  90.36  92.77  92.77  93.98  96.39  97.59  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.37   0.47   0.67   0.70   0.70   1.02   1.02   1.24   1.76   1.90   2.07   2.07   2.07   2.37   2.37   2.37   2.37   2.37   2.37
GDT RMS_ALL_AT   2.68   2.70   2.73   2.74   2.74   2.74   2.66   2.66   2.69   2.42   2.42   2.39   2.39   2.39   2.37   2.37   2.37   2.37   2.37   2.37

# Checking swapping
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    13.356     0    0.105   1.348    20.251    0.000    0.000
LGA    K     7_B      K     7_A     9.117     0    0.606   1.373    10.313    0.714   13.122
LGA    P     8_B      P     8_A     7.293     0    0.622   0.604     7.634    7.857   13.061
LGA    K     9_B      K     9_A     9.633     0    0.625   1.040    16.460    1.905    0.847
LGA    A    10_B      A    10_A     7.689     0    0.604   0.586     8.294    7.500    8.000
LGA    K    11_B      K    11_A     4.283     0    0.666   0.819    11.608   44.167   23.492
LGA    R    12_B      R    12_A     2.310     0    0.528   0.851    14.861   69.048   28.831
LGA    T    13_B      T    13_A     0.584     0    0.076   0.113     1.309   95.238   91.905
LGA    W    14_B      W    14_A     0.236     0    0.033   0.060     0.701  100.000   97.279
LGA    S    15_B      S    15_A     0.386     0    0.032   0.055     0.457  100.000  100.000
LGA    K    16_B      K    16_A     0.391     0    0.020   1.052     4.512  100.000   76.825
LGA    E    17_B      E    17_A     0.351     0    0.015   0.139     0.843  100.000   96.825
LGA    E    18_B      E    18_A     0.292     0    0.031   0.080     0.401  100.000  100.000
LGA    E    19_B      E    19_A     0.185     0    0.016   0.144     0.568  100.000   98.942
LGA    E    20_B      E    20_A     0.285     0    0.026   0.096     0.399  100.000  100.000
LGA    A    21_B      A    21_A     0.190     0    0.012   0.019     0.258  100.000  100.000
LGA    L    22_B      L    22_A     0.217     0    0.028   0.032     0.427  100.000  100.000
LGA    V    23_B      V    23_A     0.248     0    0.025   1.340     2.591  100.000   88.844
LGA    E    24_B      E    24_A     0.224     0    0.030   0.322     0.979  100.000   97.884
LGA    G    25_B      G    25_A     0.266     0    0.023   0.023     0.312  100.000  100.000
LGA    L    26_B      L    26_A     0.225     0    0.034   1.262     2.600  100.000   90.238
LGA    K    27_B      K    27_A     0.200     0    0.083   0.904     2.609  100.000   92.116
LGA    E    28_B      E    28_A     0.432     0    0.014   0.665     2.667   97.619   81.587
LGA    V    29_B      V    29_A     0.260     0    0.034   0.046     0.326  100.000  100.000
LGA    G    30_B      G    30_A     0.227     0    0.039   0.039     0.227  100.000  100.000
LGA    P    31_B      P    31_A     0.146     0    0.062   0.081     0.371  100.000  100.000
LGA    S    32_B      S    32_A     0.097     0    0.028   0.059     0.213  100.000  100.000
LGA    W    33_B      W    33_A     0.059     0    0.036   0.098     0.231  100.000  100.000
LGA    S    34_B      S    34_A     0.079     0    0.010   0.644     2.503  100.000   92.857
LGA    K    35_B      K    35_A     0.169     0    0.020   0.622     2.368  100.000   96.085
LGA    I    36_B      I    36_A     0.212     0    0.017   0.036     0.271  100.000  100.000
LGA    L    37_B      L    37_A     0.322     0    0.018   1.255     2.949  100.000   90.238
LGA    D    38_B      D    38_A     0.272     0    0.061   0.104     0.534  100.000   98.810
LGA    L    39_B      L    39_A     0.259     0    0.029   1.240     2.614  100.000   90.238
LGA    Y    40_B      Y    40_A     0.397     0    0.043   0.056     0.624  100.000   96.032
LGA    G    41_B      G    41_A     0.258     0    0.014   0.014     0.346  100.000  100.000
LGA    P    42_B      P    42_A     0.295     0    0.030   0.121     0.383  100.000  100.000
LGA    G    43_B      G    43_A     0.385     0    0.022   0.022     0.442  100.000  100.000
LGA    G    44_B      G    44_A     0.345     0    0.010   0.010     0.368  100.000  100.000
LGA    K    45_B      K    45_A     0.564     0    0.023   0.588     2.710   92.857   82.116
LGA    I    46_B      I    46_A     0.586     0    0.030   0.049     0.874   90.476   90.476
LGA    T    47_B      T    47_A     0.465     0    0.024   0.175     0.697   95.238   95.918
LGA    E    48_B      E    48_A     0.380     0    0.028   0.104     0.438  100.000  100.000
LGA    N    49_B      N    49_A     0.571     0    0.051   0.343     1.034   92.857   89.405
LGA    L    50_B      L    50_A     0.493     0    0.023   1.251     2.696   97.619   89.048
LGA    K    51_B      K    51_A     0.420     0    0.029   0.580     1.680  100.000   94.868
LGA    N    52_B      N    52_A     0.381     0    0.038   1.121     2.533  100.000   91.250
LGA    R    53_B      R    53_A     0.228     0    0.083   0.168     0.782   97.619   99.134
LGA    T    54_B      T    54_A     0.529     0    0.024   0.037     0.634   92.857   91.837
LGA    Q    55_B      Q    55_A     0.577     0    0.007   0.084     0.669   90.476   90.476
LGA    V    56_B      V    56_A     0.573     0    0.022   1.348     3.163   90.476   82.177
LGA    Q    57_B      Q    57_A     0.610     0    0.012   0.207     0.842   90.476   90.476
LGA    L    58_B      L    58_A     0.447     0    0.017   1.244     2.556   97.619   88.095
LGA    K    59_B      K    59_A     0.437     0    0.036   0.679     3.742  100.000   82.910
LGA    D    60_B      D    60_A     0.515     0    0.054   0.120     0.665   92.857   95.238
LGA    K    61_B      K    61_A     0.376     0    0.020   0.513     1.355  100.000   95.820
LGA    A    62_B      A    62_A     0.282     0    0.007   0.013     0.346  100.000  100.000
LGA    R    63_B      R    63_A     0.407     0    0.015   0.232     0.670   97.619   97.403
LGA    N    64_B      N    64_A     0.604     0    0.007   0.165     0.976   90.476   90.476
LGA    W    65_B      W    65_A     0.346     0    0.011   0.052     0.455  100.000  100.000
LGA    K    66_B      K    66_A     0.335     0    0.026   0.149     1.593  100.000   92.804
LGA    L    67_B      L    67_A     0.718     0    0.023   1.412     4.121   90.476   77.381
LGA    Q    68_B      Q    68_A     0.612     0    0.064   0.427     2.876   95.238   82.963
LGA    Y    69_B      Y    69_A     0.424     0    0.018   0.198     0.814   95.238   94.444
LGA    L    70_B      L    70_A     0.841     0    0.008   1.245     3.622   88.214   81.190
LGA    K    71_B      K    71_A     0.773     0    0.032   1.372     6.190   88.214   69.947
LGA    S    72_B      S    72_A     1.012     0    0.085   0.635     2.387   83.690   81.667
LGA    G    73_B      G    73_A     1.574     0    0.024   0.024     1.872   75.000   75.000
LGA    K    74_B      K    74_A     1.595     0    0.017   0.977     5.975   75.000   62.487
LGA    P    75_B      P    75_A     1.450     0    0.031   0.060     1.704   79.286   76.531
LGA    L    76_B      L    76_A     0.734     0    0.046   1.323     2.769   92.976   83.214
LGA    P    77_B      P    77_A     0.217     0    0.032   0.057     0.404  100.000  100.000
LGA    D    78_B      D    78_A     0.105     0    0.018   0.413     1.758  100.000   95.417
LGA    Y    79_B      Y    79_A     0.092     0    0.072   0.101     0.361  100.000  100.000
LGA    L    80_B      L    80_A     0.250     0    0.071   1.251     2.771  100.000   90.238
LGA    I    81_B      I    81_A     0.329     0    0.015   0.645     1.839  100.000   94.226
LGA    K    82_B      K    82_A     0.617     0    0.087   0.684     2.237   95.238   85.767
LGA    V    83_B      V    83_A     0.479     0    0.083   1.335     2.627   97.619   87.483
LGA    T    84_B      T    84_A     1.296     0    0.067   1.079     4.742   77.143   64.966
LGA    G    85_B      G    85_A     2.481     0    0.251   0.251     5.049   51.786   51.786
LGA    N    86_B      N    86_A     4.689     0    0.159   1.248     9.049   42.262   29.405
LGA    L    87_B      L    87_A     6.456     0    0.066   1.172    13.195   22.738   11.726
LGA    E    88_B      E    88_A     2.764     0    0.049   1.223     8.532   62.381   38.466

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     2.369          2.316                  3.271           87.302   82.269

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     77    1.02    90.964    93.265     6.856

LGA_LOCAL      RMSD:   1.023  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.664  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.369  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.129509 * X  +   0.389784 * Y  +  -0.911754 * Z  +  14.958775
  Y_new =   0.622856 * X  +  -0.683479 * Y  +  -0.380666 * Z  +   2.990296
  Z_new =  -0.771543 * X  +  -0.617191 * Y  +  -0.154262 * Z  +  13.309109 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.775803  0.881262 -1.815721   [DEG:  101.7460   50.4926 -104.0331 ]
ZXZ: -1.175287  1.725677 -2.245503   [DEG:  -67.3390   98.8740 -128.6579 ]
 
# END of job
