
#######################################################
#                                                     #
#                        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        2.44     2.44
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       8_A - 87_A        1.98     2.45
  LONGEST_CONTINUOUS_SEGMENT:    80       9_A - 88_A        1.75     2.47
  LCS_AVERAGE:     95.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        0.98     2.55
  LONGEST_CONTINUOUS_SEGMENT:    75      11_A - 85_A        0.99     2.54
  LCS_AVERAGE:     83.09

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    7   18   28   72   79   81   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      3   79   83      0    3    3    3    4    4    4    9   20   32   50   77   79   81   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      3   80   83      3    3    3    3    4    4    5    7   17   32   40   77   79   81   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A      3   80   83      3    3    3    3    4    6   61   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     75   80   83      3    3    3   10   24   62   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     75   80   83      0    3    3    4   16   67   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     75   80   83      3    4   55   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     75   80   83     62   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   80   83     59   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     75   80   83     22   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     75   80   83     22   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     75   80   83     22   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     75   80   83     54   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     75   80   83     62   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     75   80   83     62   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     75   80   83     63   71   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     75   80   83      5   59   72   73   73   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     75   80   83      4    5   11   22   34   69   75   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      4   80   83      4    5    8   17   21   33   51   63   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      4   80   83      3    3    4    4   17   33   52   63   77   79   80   80   80   81   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      4   80   83      3   11   21   56   67   74   76   78   78   79   80   80   80   81   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  92.79  (  83.09   95.27  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     71     72     73     73     74     76     78     78     79     80     80     80     81     83     83     83     83     83     83 
GDT PERCENT_AT  75.90  85.54  86.75  87.95  87.95  89.16  91.57  93.98  93.98  95.18  96.39  96.39  96.39  97.59 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.38   0.43   0.52   0.52   0.80   1.15   1.40   1.40   1.56   1.75   1.75   1.75   2.23   2.44   2.44   2.44   2.44   2.44   2.44
GDT RMS_ALL_AT   2.58   2.60   2.59   2.60   2.60   2.57   2.52   2.49   2.49   2.48   2.47   2.47   2.47   2.46   2.44   2.44   2.44   2.44   2.44   2.44

# 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     8.527     0    0.081   1.357    10.589    3.571    6.753
LGA    K     7_B      K     7_A     9.809     0    0.614   1.358    10.591    0.952    2.646
LGA    P     8_B      P     8_A     9.737     0    0.620   0.592    11.597    3.214    1.837
LGA    K     9_B      K     9_A     5.256     0    0.610   1.062     7.759   22.738   22.910
LGA    A    10_B      A    10_A     4.684     0    0.640   0.601     6.554   25.595   27.905
LGA    K    11_B      K    11_A     4.902     0    0.679   0.820    12.370   31.905   15.979
LGA    R    12_B      R    12_A     2.795     0    0.589   0.893    14.944   69.048   29.437
LGA    T    13_B      T    13_A     0.418     0    0.151   0.180     2.270   97.619   85.850
LGA    W    14_B      W    14_A     0.339     0    0.053   0.069     0.572   97.619   99.320
LGA    S    15_B      S    15_A     0.204     0    0.037   0.037     0.252  100.000  100.000
LGA    K    16_B      K    16_A     0.149     0    0.015   0.912     2.578  100.000   85.291
LGA    E    17_B      E    17_A     0.194     0    0.017   0.346     1.530  100.000   95.926
LGA    E    18_B      E    18_A     0.161     0    0.024   0.090     0.664  100.000   98.942
LGA    E    19_B      E    19_A     0.226     0    0.011   0.122     0.528  100.000   98.942
LGA    E    20_B      E    20_A     0.276     0    0.027   0.216     0.748  100.000   98.942
LGA    A    21_B      A    21_A     0.189     0    0.012   0.014     0.226  100.000  100.000
LGA    L    22_B      L    22_A     0.245     0    0.042   0.046     0.446  100.000  100.000
LGA    V    23_B      V    23_A     0.300     0    0.023   1.338     2.654  100.000   88.844
LGA    E    24_B      E    24_A     0.241     0    0.025   0.289     0.933  100.000   97.884
LGA    G    25_B      G    25_A     0.321     0    0.024   0.024     0.321  100.000  100.000
LGA    L    26_B      L    26_A     0.114     0    0.020   1.252     2.718  100.000   90.238
LGA    K    27_B      K    27_A     0.243     0    0.083   0.913     2.627  100.000   91.058
LGA    E    28_B      E    28_A     0.505     0    0.020   0.648     2.466   95.238   81.164
LGA    V    29_B      V    29_A     0.251     0    0.033   0.057     0.326  100.000  100.000
LGA    G    30_B      G    30_A     0.110     0    0.037   0.037     0.193  100.000  100.000
LGA    P    31_B      P    31_A     0.142     0    0.049   0.062     0.390  100.000  100.000
LGA    S    32_B      S    32_A     0.210     0    0.020   0.081     0.343  100.000  100.000
LGA    W    33_B      W    33_A     0.191     0    0.039   0.100     0.281  100.000  100.000
LGA    S    34_B      S    34_A     0.204     0    0.018   0.647     2.525  100.000   92.857
LGA    K    35_B      K    35_A     0.266     0    0.021   0.631     2.437  100.000   96.085
LGA    I    36_B      I    36_A     0.338     0    0.019   0.050     0.430  100.000  100.000
LGA    L    37_B      L    37_A     0.544     0    0.018   1.256     3.191   92.857   84.405
LGA    D    38_B      D    38_A     0.562     0    0.046   0.085     0.768   92.857   91.667
LGA    L    39_B      L    39_A     0.486     0    0.013   1.240     2.797   95.238   87.857
LGA    Y    40_B      Y    40_A     0.487     0    0.025   0.068     0.642   97.619   96.032
LGA    G    41_B      G    41_A     0.520     0    0.018   0.018     0.533   95.238   95.238
LGA    P    42_B      P    42_A     0.604     0    0.035   0.127     0.661   90.476   90.476
LGA    G    43_B      G    43_A     0.631     0    0.027   0.027     0.647   90.476   90.476
LGA    G    44_B      G    44_A     0.478     0    0.016   0.016     0.586   97.619   97.619
LGA    K    45_B      K    45_A     0.421     0    0.042   0.583     2.186  100.000   90.053
LGA    I    46_B      I    46_A     0.606     0    0.051   0.071     0.844   90.476   90.476
LGA    T    47_B      T    47_A     0.687     0    0.040   0.185     0.824   90.476   91.837
LGA    E    48_B      E    48_A     0.661     0    0.018   0.247     0.680   90.476   93.651
LGA    N    49_B      N    49_A     0.721     0    0.055   0.422     1.194   90.476   88.214
LGA    L    50_B      L    50_A     0.662     0    0.014   1.253     2.797   90.476   84.286
LGA    K    51_B      K    51_A     0.644     0    0.060   0.591     1.333   90.476   88.466
LGA    N    52_B      N    52_A     0.695     0    0.023   1.123     2.950   90.476   84.107
LGA    R    53_B      R    53_A     0.329     0    0.066   0.165     0.785   97.619   98.268
LGA    T    54_B      T    54_A     0.571     0    0.030   0.048     0.744   90.476   90.476
LGA    Q    55_B      Q    55_A     0.642     0    0.020   0.202     0.813   90.476   90.476
LGA    V    56_B      V    56_A     0.633     0    0.045   1.350     3.337   90.476   82.177
LGA    Q    57_B      Q    57_A     0.625     0    0.012   0.111     0.724   90.476   90.476
LGA    L    58_B      L    58_A     0.453     0    0.021   1.245     2.755   97.619   87.857
LGA    K    59_B      K    59_A     0.404     0    0.037   0.776     4.587  100.000   82.487
LGA    D    60_B      D    60_A     0.459     0    0.044   0.132     0.541   97.619   98.810
LGA    K    61_B      K    61_A     0.361     0    0.016   0.548     1.517  100.000   93.862
LGA    A    62_B      A    62_A     0.275     0    0.007   0.011     0.353  100.000  100.000
LGA    R    63_B      R    63_A     0.314     0    0.028   0.260     0.946  100.000   97.403
LGA    N    64_B      N    64_A     0.518     0    0.014   0.855     3.436   95.238   82.381
LGA    W    65_B      W    65_A     0.365     0    0.022   0.047     0.528  100.000   99.320
LGA    K    66_B      K    66_A     0.248     0    0.026   0.116     1.200  100.000   95.820
LGA    L    67_B      L    67_A     0.467     0    0.013   1.414     3.811  100.000   82.917
LGA    Q    68_B      Q    68_A     0.616     0    0.032   0.135     1.389   95.238   88.571
LGA    Y    69_B      Y    69_A     0.444     0    0.009   0.151     1.077  100.000   95.278
LGA    L    70_B      L    70_A     0.406     0    0.010   1.235     2.840   97.619   87.857
LGA    K    71_B      K    71_A     0.549     0    0.022   1.396     6.510   95.238   72.063
LGA    S    72_B      S    72_A     0.648     0    0.076   0.627     2.155   92.857   87.778
LGA    G    73_B      G    73_A     1.097     0    0.042   0.042     1.404   83.690   83.690
LGA    K    74_B      K    74_A     1.339     0    0.012   0.973     5.241   81.429   68.307
LGA    P    75_B      P    75_A     1.491     0    0.027   0.374     2.730   81.429   75.510
LGA    L    76_B      L    76_A     0.969     0    0.059   1.312     2.852   88.214   79.702
LGA    P    77_B      P    77_A     0.711     0    0.036   0.078     0.748   90.476   90.476
LGA    D    78_B      D    78_A     0.679     0    0.035   0.484     2.925   90.476   84.107
LGA    Y    79_B      Y    79_A     0.577     0    0.091   0.118     0.684   95.238   92.063
LGA    L    80_B      L    80_A     0.550     0    0.055   1.251     2.856   92.857   85.476
LGA    I    81_B      I    81_A     0.657     0    0.033   0.632     2.252   90.476   87.262
LGA    K    82_B      K    82_A     0.722     0    0.060   0.679     2.612   90.476   81.905
LGA    V    83_B      V    83_A     0.374     0    0.075   1.336     2.539   97.619   87.483
LGA    T    84_B      T    84_A     1.603     0    0.219   1.165     5.322   70.952   58.639
LGA    G    85_B      G    85_A     4.819     0    0.296   0.296     6.719   27.381   27.381
LGA    N    86_B      N    86_A     6.363     0    0.240   1.291     9.418   24.286   18.333
LGA    L    87_B      L    87_A     7.558     0    0.056   1.164    13.352   10.952    5.536
LGA    E    88_B      E    88_A     5.058     0    0.032   1.154     9.083   47.381   26.190

# 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):     2.438          2.394                  3.032           85.873   80.843

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     78    1.40    91.867    92.640     5.189

LGA_LOCAL      RMSD:   1.403  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.491  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.438  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.218756 * X  +   0.950727 * Y  +   0.219691 * Z  +  14.093427
  Y_new =   0.445032 * X  +  -0.297573 * Y  +   0.844628 * Z  +   2.243983
  Z_new =   0.868385 * X  +  -0.086998 * Y  +  -0.488200 * Z  +  13.503341 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.113930 -1.051936 -2.965241   [DEG:   63.8235  -60.2715 -169.8958 ]
ZXZ:  2.887128  2.080822  1.670647   [DEG:  165.4202  119.2223   95.7210 ]
 
# END of job
