
#######################################################
#                                                     #
#                        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        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       5_B - 83_B        0.85     1.32
  LCS_AVERAGE:     96.14

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    6   13   31   51   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B     63   81   81      3    3    5    7   19   43   67   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     79   81   81     12   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K     6_B     K     6_B     79   81   81     23   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     7_B     V     7_B     79   81   81     34   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T     8_B     T     8_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     9_B     V     9_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    10_B     V    10_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    11_B     L    11_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    12_B     Y    12_B     79   81   81     23   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    13_B     V    13_B     79   81   81     23   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    14_B     N    14_B     79   81   81     17   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    15_B     G    15_B     79   81   81     14   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    16_B     D    16_B     79   81   81     31   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    17_B     E    17_B     79   81   81     35   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    18_B     V    18_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    19_B     A    19_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    20_B     L    20_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    21_B     V    21_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     H    22_B     H    22_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    23_B     A    23_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    24_B     F    24_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M    25_B     M    25_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    26_B     T    26_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    27_B     T    27_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    28_B     A    28_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    29_B     S    29_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    30_B     L    30_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    31_B     L    31_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    32_B     A    32_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    33_B     K    33_B     79   81   81     23   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    34_B     E    34_B     79   81   81     29   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    35_B     G    35_B     79   81   81      7   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    36_B     K    36_B     79   81   81     12   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    37_B     L    37_B     79   81   81     12   61   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    38_B     V    38_B     79   81   81     22   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    39_B     E    39_B     79   81   81     23   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    40_B     K    40_B     79   81   81     32   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    41_B     L    41_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    42_B     I    42_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    43_B     L    43_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    44_B     T    44_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    45_B     S    45_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    46_B     N    46_B     79   81   81     32   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    47_B     F    47_B     79   81   81     14   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    48_B     T    48_B     79   81   81     35   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    49_B     E    49_B     79   81   81     29   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    50_B     R    50_B     79   81   81     37   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    51_B     T    51_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    52_B     V    52_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    53_B     R    53_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    54_B     R    54_B     79   81   81     35   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    55_B     A    55_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    56_B     F    56_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    57_B     D    57_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    58_B     L    58_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    59_B     V    59_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    60_B     R    60_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    61_B     E    61_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    62_B     L    62_B     79   81   81     17   62   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    63_B     L    63_B     79   81   81     14   60   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     P    64_B     P    64_B     79   81   81     14   62   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    65_B     A    65_B     79   81   81     14   41   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    66_B     K    66_B     79   81   81     14   59   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    67_B     A    67_B     79   81   81      8   43   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    68_B     E    68_B     79   81   81     12   43   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    69_B     I    69_B     79   81   81     23   62   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    70_B     I    70_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    71_B     D    71_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    72_B     A    72_B     79   81   81     25   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    73_B     L    73_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    74_B     R    74_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    75_B     E    75_B     79   81   81     38   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    76_B     E    76_B     79   81   81     25   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    77_B     A    77_B     79   81   81     25   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    78_B     E    78_B     79   81   81     10   63   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    79_B     K    79_B     79   81   81     10   43   74   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    80_B     Y    80_B     79   81   81      5   43   69   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    81_B     F    81_B     79   81   81     14   43   71   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    82_B     A    82_B     79   81   81     14   43   69   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    83_B     E    83_B     79   81   81      3   34   62   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_AVERAGE  LCS_A:  98.71  (  96.14  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     38     63     74     79     79     79     80     81     81     81     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  46.91  77.78  91.36  97.53  97.53  97.53  98.77 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.56   0.70   0.85   0.85   0.85   1.09   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28
GDT RMS_ALL_AT   1.35   1.32   1.33   1.32   1.32   1.32   1.29   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28

# 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:  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     5.741     0    0.457   0.457     6.378   30.000   30.000
LGA    M     4_B      M     4_B     5.950     0    0.033   0.990    15.330   29.762   15.476
LGA    E     5_B      E     5_B     0.929     0    0.328   0.471     7.490   79.881   50.476
LGA    K     6_B      K     6_B     0.660     0    0.008   0.375     2.265   95.238   85.767
LGA    V     7_B      V     7_B     0.327     0    0.084   0.143     0.956   97.619   95.918
LGA    T     8_B      T     8_B     0.328     0    0.015   0.035     0.561   95.238   97.279
LGA    V     9_B      V     9_B     0.747     0    0.009   0.122     1.116   90.476   89.184
LGA    V    10_B      V    10_B     0.621     0    0.073   0.086     0.882   90.476   91.837
LGA    L    11_B      L    11_B     0.182     0    0.127   0.977     3.391  100.000   86.964
LGA    Y    12_B      Y    12_B     0.868     0    0.131   1.375     9.250   90.476   53.056
LGA    V    13_B      V    13_B     0.653     0    0.059   0.186     1.117   90.476   89.184
LGA    N    14_B      N    14_B     0.881     0    0.163   0.298     2.262   88.214   79.583
LGA    G    15_B      G    15_B     1.024     0    0.136   0.136     1.274   83.690   83.690
LGA    D    16_B      D    16_B     0.400     0    0.063   0.295     0.808  100.000   97.619
LGA    E    17_B      E    17_B     0.521     0    0.015   0.954     4.174   95.238   71.693
LGA    V    18_B      V    18_B     0.427     0    0.067   0.940     2.384   97.619   88.571
LGA    A    19_B      A    19_B     0.084     0    0.108   0.123     0.361  100.000  100.000
LGA    L    20_B      L    20_B     0.347     0    0.034   0.213     0.890  100.000   98.810
LGA    V    21_B      V    21_B     0.275     0    0.075   1.014     2.524  100.000   90.000
LGA    H    22_B      H    22_B     0.125     0    0.056   0.476     1.083  100.000   95.286
LGA    A    23_B      A    23_B     0.415     0    0.021   0.029     0.564  100.000   98.095
LGA    F    24_B      F    24_B     0.508     0    0.037   0.213     0.954   92.857   91.342
LGA    M    25_B      M    25_B     0.349     0    0.014   0.521     1.581  100.000   95.417
LGA    T    26_B      T    26_B     0.250     0    0.047   0.223     0.649  100.000   97.279
LGA    T    27_B      T    27_B     0.491     0    0.045   0.139     1.106   97.619   93.265
LGA    A    28_B      A    28_B     0.640     0    0.010   0.020     0.809   92.857   92.381
LGA    S    29_B      S    29_B     0.472     0    0.031   0.093     0.545   97.619   95.238
LGA    L    30_B      L    30_B     0.288     0    0.045   1.227     3.130  100.000   89.345
LGA    L    31_B      L    31_B     0.467     0    0.116   1.123     2.815   95.238   87.679
LGA    A    32_B      A    32_B     0.287     0    0.014   0.015     0.515   97.619   98.095
LGA    K    33_B      K    33_B     0.857     0    0.050   0.906     4.451   88.214   74.127
LGA    E    34_B      E    34_B     0.943     0    0.036   0.292     2.329   85.952   83.598
LGA    G    35_B      G    35_B     1.141     0    0.042   0.042     1.141   81.429   81.429
LGA    K    36_B      K    36_B     1.209     0    0.075   0.240     1.394   81.429   82.434
LGA    L    37_B      L    37_B     1.244     0    0.026   1.327     4.518   83.690   68.452
LGA    V    38_B      V    38_B     0.874     0    0.042   0.075     1.150   85.952   87.891
LGA    E    39_B      E    39_B     0.995     0    0.013   0.536     1.753   90.476   84.497
LGA    K    40_B      K    40_B     0.675     0    0.021   0.277     1.577   90.476   88.519
LGA    L    41_B      L    41_B     0.572     0    0.021   0.949     2.903   95.238   86.488
LGA    I    42_B      I    42_B     0.436     0    0.024   0.058     0.475  100.000  100.000
LGA    L    43_B      L    43_B     0.502     0    0.006   0.830     3.433   97.619   85.655
LGA    T    44_B      T    44_B     0.488     0    0.286   1.016     2.859   88.810   82.245
LGA    S    45_B      S    45_B     0.455     0    0.058   0.273     1.151   95.238   93.730
LGA    N    46_B      N    46_B     0.775     0    0.189   1.061     2.224   86.071   81.845
LGA    F    47_B      F    47_B     0.765     0    0.031   0.316     1.539   92.857   86.450
LGA    T    48_B      T    48_B     0.737     0    0.052   0.188     1.004   88.214   89.184
LGA    E    49_B      E    49_B     0.768     0    0.022   0.796     4.817   90.476   72.222
LGA    R    50_B      R    50_B     0.656     0    0.016   1.045     3.610   90.476   74.113
LGA    T    51_B      T    51_B     0.414     0    0.063   0.089     0.567   97.619   98.639
LGA    V    52_B      V    52_B     0.246     0    0.038   0.117     0.480  100.000  100.000
LGA    R    53_B      R    53_B     0.421     0    0.032   1.226     6.570   95.238   70.823
LGA    R    54_B      R    54_B     0.778     0    0.016   1.563     5.664   90.476   63.074
LGA    A    55_B      A    55_B     0.408     0    0.023   0.030     0.628   92.857   94.286
LGA    F    56_B      F    56_B     0.461     0    0.064   0.134     0.535   97.619   97.403
LGA    D    57_B      D    57_B     0.601     0    0.077   0.266     1.104   92.857   90.536
LGA    L    58_B      L    58_B     0.283     0    0.049   1.143     2.457  100.000   90.000
LGA    V    59_B      V    59_B     0.307     0    0.018   0.249     0.778  100.000   97.279
LGA    R    60_B      R    60_B     0.547     0    0.014   1.397     6.607   92.857   69.870
LGA    E    61_B      E    61_B     0.753     0    0.026   0.985     2.881   88.214   78.095
LGA    L    62_B      L    62_B     1.311     0    0.035   0.122     1.889   79.286   78.214
LGA    L    63_B      L    63_B     1.430     0    0.107   1.280     3.033   81.429   77.560
LGA    P    64_B      P    64_B     1.255     0    0.047   0.270     1.709   81.429   80.204
LGA    A    65_B      A    65_B     1.571     0    0.079   0.075     1.595   77.143   76.286
LGA    K    66_B      K    66_B     1.355     0    0.016   0.746     2.640   79.286   77.831
LGA    A    67_B      A    67_B     1.643     0    0.049   0.052     1.887   75.000   74.571
LGA    E    68_B      E    68_B     1.932     0    0.022   1.244     7.670   72.857   47.249
LGA    I    69_B      I    69_B     1.206     0    0.024   0.140     1.469   81.429   83.690
LGA    I    70_B      I    70_B     0.762     0    0.012   0.677     1.850   92.857   89.464
LGA    D    71_B      D    71_B     0.662     0    0.029   0.415     1.360   90.476   89.345
LGA    A    72_B      A    72_B     0.986     0    0.020   0.020     1.151   90.476   88.667
LGA    L    73_B      L    73_B     0.666     0    0.029   0.069     0.754   90.476   91.667
LGA    R    74_B      R    74_B     0.612     0    0.067   0.390     2.661   90.476   82.641
LGA    E    75_B      E    75_B     0.679     0    0.103   0.547     2.597   88.214   80.847
LGA    E    76_B      E    76_B     0.998     0    0.061   0.315     1.889   88.214   83.492
LGA    A    77_B      A    77_B     0.822     0    0.017   0.018     0.905   90.476   90.476
LGA    E    78_B      E    78_B     0.838     0    0.063   0.719     3.294   85.952   71.270
LGA    K    79_B      K    79_B     1.422     0    0.059   0.637     2.055   75.119   78.730
LGA    Y    80_B      Y    80_B     1.971     0    0.121   0.132     2.359   70.833   68.135
LGA    F    81_B      F    81_B     1.821     0    0.041   0.181     2.101   70.833   76.147
LGA    A    82_B      A    82_B     1.824     0    0.021   0.027     2.277   68.810   69.619
LGA    E    83_B      E    83_B     2.347     0    0.410   1.242     6.648   52.738   39.894

# 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):     1.280          1.267                  2.098           88.424   82.437

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     81    1.28    93.827    97.044     5.870

LGA_LOCAL      RMSD:   1.280  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.280  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   1.280  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.355595 * X  +  -0.893067 * Y  +  -0.275650 * Z  +  26.599052
  Y_new =   0.274935 * X  +  -0.181928 * Y  +   0.944094 * Z  +   6.600118
  Z_new =  -0.893288 * X  +  -0.411501 * Y  +   0.180842 * Z  +  -7.058091 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.658164  1.104607 -1.156734   [DEG:   37.7100   63.2893  -66.2759 ]
ZXZ: -2.857516  1.388953 -2.002479   [DEG: -163.7236   79.5812 -114.7336 ]
 
# END of job
