
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       5_B - 83_B        0.99     1.54
  LCS_AVERAGE:     95.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
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     3_B     G     3_B      4   81   81      3    4    5    7   14   33   39   62   77   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B      4   81   81      3    4    5    7   14   33   39   76   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     79   81   81     11   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K     6_B     K     6_B     79   81   81     10   53   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     7_B     V     7_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T     8_B     T     8_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     9_B     V     9_B     79   81   81     22   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    10_B     V    10_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    11_B     L    11_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    12_B     Y    12_B     79   81   81     21   57   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    13_B     V    13_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    14_B     N    14_B     79   81   81     30   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    15_B     G    15_B     79   81   81      3   12   17   26   77   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    16_B     D    16_B     79   81   81      3   37   71   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    17_B     E    17_B     79   81   81     24   58   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    18_B     V    18_B     79   81   81     27   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    19_B     A    19_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    20_B     L    20_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    21_B     V    21_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     H    22_B     H    22_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    23_B     A    23_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    24_B     F    24_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M    25_B     M    25_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    26_B     T    26_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    27_B     T    27_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    28_B     A    28_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    29_B     S    29_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    30_B     L    30_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    31_B     L    31_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    32_B     A    32_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    33_B     K    33_B     79   81   81     24   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    34_B     E    34_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    35_B     G    35_B     79   81   81     16   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    36_B     K    36_B     79   81   81     13   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    37_B     L    37_B     79   81   81     11   32   69   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    38_B     V    38_B     79   81   81     11   58   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    39_B     E    39_B     79   81   81     13   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    40_B     K    40_B     79   81   81     22   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    41_B     L    41_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    42_B     I    42_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    43_B     L    43_B     79   81   81     22   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    44_B     T    44_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    45_B     S    45_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    46_B     N    46_B     79   81   81     27   58   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    47_B     F    47_B     79   81   81     27   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    48_B     T    48_B     79   81   81     27   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    49_B     E    49_B     79   81   81     27   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    50_B     R    50_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    51_B     T    51_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    52_B     V    52_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    53_B     R    53_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    54_B     R    54_B     79   81   81     28   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    55_B     A    55_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    56_B     F    56_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    57_B     D    57_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    58_B     L    58_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    59_B     V    59_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    60_B     R    60_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    61_B     E    61_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    62_B     L    62_B     79   81   81     14   58   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    63_B     L    63_B     79   81   81     10   58   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     P    64_B     P    64_B     79   81   81     22   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    65_B     A    65_B     79   81   81     14   52   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    66_B     K    66_B     79   81   81     14   54   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    67_B     A    67_B     79   81   81     14   34   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    68_B     E    68_B     79   81   81     10   42   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    69_B     I    69_B     79   81   81     29   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    70_B     I    70_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    71_B     D    71_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    72_B     A    72_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    73_B     L    73_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    74_B     R    74_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    75_B     E    75_B     79   81   81     32   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    76_B     E    76_B     79   81   81     28   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    77_B     A    77_B     79   81   81     28   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    78_B     E    78_B     79   81   81     21   59   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    79_B     K    79_B     79   81   81     13   55   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    80_B     Y    80_B     79   81   81      5   39   72   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    81_B     F    81_B     79   81   81      5   42   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    82_B     A    82_B     79   81   81     11   42   73   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    83_B     E    83_B     79   81   81      5   36   63   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_AVERAGE  LCS_A:  98.41  (  95.24  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     32     59     73     78     78     79     79     79     80     81     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  39.51  72.84  90.12  96.30  96.30  97.53  97.53  97.53  98.77 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.58   0.77   0.88   0.88   0.99   0.99   0.99   1.25   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49
GDT RMS_ALL_AT   1.60   1.56   1.56   1.54   1.54   1.54   1.54   1.54   1.51   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_B
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  E    39_B      E    39_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    80_B      Y    80_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     8.044     0    0.473   0.473     8.512   13.095   13.095
LGA    M     4_B      M     4_B     7.056     0    0.024   0.826    17.040   16.190    8.274
LGA    E     5_B      E     5_B     1.135     0    0.337   0.476     6.511   71.429   52.169
LGA    K     6_B      K     6_B     1.441     0    0.021   0.421     3.684   81.429   68.995
LGA    V     7_B      V     7_B     0.631     0    0.075   0.146     1.254   88.214   91.905
LGA    T     8_B      T     8_B     0.484     0    0.014   0.048     0.817   95.238   93.197
LGA    V     9_B      V     9_B     0.849     0    0.012   0.102     1.239   90.476   89.184
LGA    V    10_B      V    10_B     0.780     0    0.070   0.080     0.999   90.476   90.476
LGA    L    11_B      L    11_B     0.296     0    0.121   0.949     3.299   95.238   84.583
LGA    Y    12_B      Y    12_B     1.171     0    0.053   1.370     9.314   88.214   49.960
LGA    V    13_B      V    13_B     0.575     0    0.116   0.346     1.476   88.214   87.891
LGA    N    14_B      N    14_B     0.447     0    0.565   1.313     5.177   80.714   63.631
LGA    G    15_B      G    15_B     3.942     0    0.595   0.595     3.942   59.524   59.524
LGA    D    16_B      D    16_B     1.783     0    0.265   0.841     3.408   75.119   69.226
LGA    E    17_B      E    17_B     1.178     0    0.030   0.914     4.587   85.952   63.810
LGA    V    18_B      V    18_B     0.667     0    0.069   0.922     2.423   90.476   84.286
LGA    A    19_B      A    19_B     0.574     0    0.099   0.113     0.660   92.857   92.381
LGA    L    20_B      L    20_B     0.594     0    0.033   0.218     0.960   95.238   95.238
LGA    V    21_B      V    21_B     0.433     0    0.071   1.042     2.745   97.619   87.279
LGA    H    22_B      H    22_B     0.222     0    0.021   0.341     0.848  100.000   96.190
LGA    A    23_B      A    23_B     0.419     0    0.067   0.076     0.544  100.000   98.095
LGA    F    24_B      F    24_B     0.379     0    0.029   0.225     0.998  100.000   93.939
LGA    M    25_B      M    25_B     0.252     0    0.018   0.507     1.291  100.000   95.298
LGA    T    26_B      T    26_B     0.136     0    0.059   0.207     0.540  100.000   98.639
LGA    T    27_B      T    27_B     0.224     0    0.039   0.125     0.509  100.000   98.639
LGA    A    28_B      A    28_B     0.306     0    0.009   0.019     0.483  100.000  100.000
LGA    S    29_B      S    29_B     0.405     0    0.020   0.038     0.567   97.619   96.825
LGA    L    30_B      L    30_B     0.324     0    0.039   1.197     2.943   97.619   87.857
LGA    L    31_B      L    31_B     0.165     0    0.122   1.091     2.991   97.619   88.869
LGA    A    32_B      A    32_B     0.293     0    0.017   0.022     0.488  100.000  100.000
LGA    K    33_B      K    33_B     0.909     0    0.051   0.905     4.149   88.214   76.825
LGA    E    34_B      E    34_B     0.866     0    0.046   0.267     2.039   90.476   85.608
LGA    G    35_B      G    35_B     0.941     0    0.074   0.074     0.974   92.857   92.857
LGA    K    36_B      K    36_B     1.135     0    0.042   0.267     1.621   79.286   83.492
LGA    L    37_B      L    37_B     1.863     0    0.019   1.349     5.682   75.000   59.940
LGA    V    38_B      V    38_B     1.277     0    0.089   1.074     2.566   79.286   74.354
LGA    E    39_B      E    39_B     1.152     0    0.023   0.554     1.540   85.952   82.487
LGA    K    40_B      K    40_B     0.763     0    0.009   0.205     0.832   90.476   90.476
LGA    L    41_B      L    41_B     0.711     0    0.022   0.946     2.803   90.476   84.107
LGA    I    42_B      I    42_B     0.758     0    0.030   0.055     0.779   90.476   90.476
LGA    L    43_B      L    43_B     0.926     0    0.042   0.839     2.850   90.476   84.048
LGA    T    44_B      T    44_B     0.795     0    0.343   1.040     3.760   84.048   75.102
LGA    S    45_B      S    45_B     0.312     0    0.057   0.772     3.259   97.619   88.492
LGA    N    46_B      N    46_B     1.171     0    0.019   1.001     3.502   83.690   75.655
LGA    F    47_B      F    47_B     0.916     0    0.059   0.401     2.759   90.476   75.714
LGA    T    48_B      T    48_B     0.837     0    0.056   0.182     1.002   88.214   90.544
LGA    E    49_B      E    49_B     0.939     0    0.021   0.764     4.696   88.214   69.788
LGA    R    50_B      R    50_B     0.633     0    0.024   1.028     3.984   90.476   74.286
LGA    T    51_B      T    51_B     0.308     0    0.069   0.096     0.485  100.000  100.000
LGA    V    52_B      V    52_B     0.261     0    0.033   0.115     0.406  100.000  100.000
LGA    R    53_B      R    53_B     0.403     0    0.030   1.351     6.728   97.619   71.688
LGA    R    54_B      R    54_B     0.661     0    0.013   1.355     5.298   90.476   76.926
LGA    A    55_B      A    55_B     0.365     0    0.028   0.031     0.547   97.619   98.095
LGA    F    56_B      F    56_B     0.459     0    0.057   0.128     0.532   97.619   99.134
LGA    D    57_B      D    57_B     0.464     0    0.069   0.284     0.868  100.000   96.429
LGA    L    58_B      L    58_B     0.145     0    0.052   1.147     2.795  100.000   90.060
LGA    V    59_B      V    59_B     0.146     0    0.018   0.257     0.699  100.000   97.279
LGA    R    60_B      R    60_B     0.305     0    0.016   1.406     6.206  100.000   76.364
LGA    E    61_B      E    61_B     0.661     0    0.028   0.894     3.112   92.857   85.132
LGA    L    62_B      L    62_B     1.107     0    0.032   0.140     2.082   83.690   79.405
LGA    L    63_B      L    63_B     1.098     0    0.115   1.286     2.882   83.690   79.583
LGA    P    64_B      P    64_B     0.840     0    0.051   0.270     1.188   85.952   86.599
LGA    A    65_B      A    65_B     1.400     0    0.084   0.080     1.563   81.429   79.714
LGA    K    66_B      K    66_B     1.191     0    0.024   0.714     2.253   81.429   80.582
LGA    A    67_B      A    67_B     1.438     0    0.052   0.055     1.674   81.429   79.714
LGA    E    68_B      E    68_B     1.507     0    0.025   1.243     7.249   77.143   51.905
LGA    I    69_B      I    69_B     0.731     0    0.026   0.163     1.045   88.214   90.536
LGA    I    70_B      I    70_B     0.440     0    0.013   0.665     2.217   97.619   90.833
LGA    D    71_B      D    71_B     0.469     0    0.040   0.428     1.477  100.000   94.107
LGA    A    72_B      A    72_B     0.540     0    0.025   0.024     0.686   95.238   94.286
LGA    L    73_B      L    73_B     0.301     0    0.029   0.078     0.503  100.000   98.810
LGA    R    74_B      R    74_B     0.337     0    0.059   0.342     2.397   97.619   88.442
LGA    E    75_B      E    75_B     0.415     0    0.110   0.552     2.579   95.238   86.878
LGA    E    76_B      E    76_B     0.732     0    0.056   0.287     1.522   90.476   86.508
LGA    A    77_B      A    77_B     0.706     0    0.021   0.023     0.927   90.476   90.476
LGA    E    78_B      E    78_B     0.810     0    0.055   0.729     3.293   85.952   71.270
LGA    K    79_B      K    79_B     1.274     0    0.043   0.638     1.744   77.143   80.582
LGA    Y    80_B      Y    80_B     1.781     0    0.119   0.134     2.186   70.833   69.484
LGA    F    81_B      F    81_B     1.573     0    0.071   0.178     1.896   72.857   78.398
LGA    A    82_B      A    82_B     1.356     0    0.045   0.043     1.813   77.143   78.000
LGA    E    83_B      E    83_B     2.085     0    0.412   1.150     5.667   53.452   45.714

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):     1.492          1.444                  2.187           87.747   81.810

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     79    0.99    91.667    96.134     7.273

LGA_LOCAL      RMSD:   0.986  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.537  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   1.492  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.501465 * X  +  -0.315162 * Y  +  -0.805733 * Z  +  32.141491
  Y_new =  -0.409178 * X  +  -0.734163 * Y  +   0.541828 * Z  +   8.283598
  Z_new =  -0.762303 * X  +   0.601396 * Y  +   0.239200 * Z  +  -7.241197 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.457192  0.866864  1.192239   [DEG: -140.7867   49.6677   68.3103 ]
ZXZ: -2.162803  1.329255 -0.902848   [DEG: -123.9195   76.1607  -51.7294 ]
 
# END of job
