
#######################################################
#                                                     #
#                        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   90 (  747),  selected   86 , name one
# Molecule2: number of CA atoms   86 (  717),  selected   86 , 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:    86       5_B - 90_B        1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.84     1.41
  LCS_AVERAGE:     95.48

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     K     5_B     K     5_B      3   86   86      0    3    3    8   11   33   65   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      3    3    4    6    9    9   16   18   55   80   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86      3   34   67   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     33   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     26   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     28   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     22   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86      7   43   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86      3   70   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     30   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     20   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     40   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     41   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     24   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     28   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     28   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     28   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     11   57   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86      9   21   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86      9   25   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86      4   72   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     43   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     40   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     26   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     10   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     29   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     38   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     33   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     24   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     33   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     41   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     42   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      6   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     84   86   86      6   70   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86      6   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86      3   19   34   75   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86     12   70   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     43   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     43   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     44   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     45   73   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86      3   56   79   82   84   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.49  (  95.48  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     45     73     79     82     84     84     84     85     85     85     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  52.33  84.88  91.86  95.35  97.67  97.67  97.67  98.84  98.84  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.56   0.64   0.75   0.84   0.84   0.84   1.10   1.10   1.10   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.48   1.43   1.43   1.42   1.41   1.41   1.41   1.38   1.38   1.38   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  D    19_B      D    19_B
#   possible swapping detected:  D    23_B      D    23_B
#   possible swapping detected:  F    28_B      F    28_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  Y    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     6.461     0    0.592   0.978     9.113    8.929   13.651
LGA    P     6_B      P     6_B     7.847     0    0.450   0.715    10.106   12.976    8.639
LGA    N     7_B      N     7_B     2.295     0    0.590   1.034     3.928   65.595   66.726
LGA    E     8_B      E     8_B     0.400     0    0.206   0.246     3.356   88.333   74.868
LGA    I     9_B      I     9_B     0.777     0    0.068   0.151     1.643   90.476   84.881
LGA    V    10_B      V    10_B     0.735     0    0.067   0.081     0.893   90.476   91.837
LGA    I    11_B      I    11_B     0.947     0    0.141   0.929     2.392   83.810   80.595
LGA    T    12_B      T    12_B     1.425     0    0.153   1.199     2.460   81.429   75.442
LGA    K    13_B      K    13_B     1.080     0    0.156   0.642     3.795   83.690   70.847
LGA    S    14_B      S    14_B     1.204     0    0.142   0.155     2.066   79.524   80.159
LGA    K    15_B      K    15_B     0.529     0    0.099   0.597     2.956   92.857   84.974
LGA    R    16_B      R    16_B     0.627     0    0.112   0.999     3.041   90.476   81.342
LGA    I    17_B      I    17_B     0.227     0    0.061   0.703     2.664  100.000   94.643
LGA    E    18_B      E    18_B     0.370     0    0.069   1.243     4.263  100.000   85.185
LGA    D    19_B      D    19_B     0.460     0    0.010   0.273     1.041  100.000   94.107
LGA    Y    20_B      Y    20_B     0.754     0    0.095   1.470     7.283   90.476   64.444
LGA    V    21_B      V    21_B     0.612     0    0.055   0.091     1.066   95.238   91.905
LGA    L    22_B      L    22_B     0.694     0    0.000   0.111     1.751   90.476   84.940
LGA    D    23_B      D    23_B     0.635     0    0.033   0.148     1.554   92.857   87.202
LGA    T    24_B      T    24_B     0.546     0    0.005   0.000     0.869   90.476   90.476
LGA    I    25_B      I    25_B     0.801     0    0.049   0.172     1.342   88.214   85.952
LGA    I    26_B      I    26_B     1.097     0    0.032   0.123     1.555   83.690   82.619
LGA    L    27_B      L    27_B     0.922     0    0.052   0.163     1.640   88.214   84.881
LGA    F    28_B      F    28_B     0.972     0    0.036   0.085     1.598   83.810   84.762
LGA    N    29_B      N    29_B     1.848     0    0.067   1.375     5.794   66.905   54.583
LGA    Q    30_B      Q    30_B     2.245     0    0.084   0.319     2.593   64.881   64.815
LGA    G    31_B      G    31_B     2.235     0    0.060   0.060     2.235   70.833   70.833
LGA    Y    32_B      Y    32_B     1.170     0    0.145   0.148     4.201   85.952   65.317
LGA    E    33_B      E    33_B     0.463     0    0.085   0.621     2.164   95.238   89.788
LGA    E    34_B      E    34_B     0.828     0    0.096   0.790     2.782   90.476   75.503
LGA    V    35_B      V    35_B     0.551     0    0.121   0.139     0.861   95.238   94.558
LGA    E    36_B      E    36_B     0.197     0    0.050   0.207     0.594   97.619   98.942
LGA    I    37_B      I    37_B     0.244     0    0.033   1.331     2.798  100.000   83.929
LGA    R    38_B      R    38_B     0.326     0    0.050   0.857     4.458  100.000   71.299
LGA    G    39_B      G    39_B     0.255     0    0.000   0.000     0.719   95.238   95.238
LGA    S    40_B      S    40_B     0.707     0    0.071   0.138     1.084   90.476   87.460
LGA    G    41_B      G    41_B     0.447     0    0.089   0.089     0.557   95.238   95.238
LGA    Q    42_B      Q    42_B     0.608     0    0.081   0.536     2.803   92.857   82.910
LGA    E    43_B      E    43_B     0.102     0    0.066   1.132     4.441  100.000   74.974
LGA    I    44_B      I    44_B     0.361     0    0.034   0.108     0.628  100.000   98.810
LGA    N    45_B      N    45_B     0.418     0    0.053   0.874     3.754  100.000   83.155
LGA    K    46_B      K    46_B     0.311     0    0.000   0.997     5.711  100.000   76.508
LGA    A    47_B      A    47_B     0.349     0    0.000   0.000     0.418  100.000  100.000
LGA    I    48_B      I    48_B     0.408     0    0.061   0.095     0.446  100.000  100.000
LGA    E    49_B      E    49_B     0.442     0    0.000   0.684     2.202   97.619   85.979
LGA    V    50_B      V    50_B     0.236     0    0.041   0.068     0.344  100.000  100.000
LGA    Y    51_B      Y    51_B     0.476     0    0.086   0.742     3.685   95.238   78.214
LGA    N    52_B      N    52_B     0.604     0    0.036   0.246     1.173   90.476   89.345
LGA    Q    53_B      Q    53_B     0.287     0    0.046   0.673     3.258  100.000   86.455
LGA    L    54_B      L    54_B     0.355     0    0.038   1.374     3.253   95.238   82.619
LGA    V    55_B      V    55_B     0.710     0    0.051   0.103     1.167   90.476   89.184
LGA    D    56_B      D    56_B     0.622     0    0.055   0.825     3.461   90.476   76.190
LGA    R    57_B      R    57_B     0.482     0    0.000   1.898     9.797   95.238   53.896
LGA    L    58_B      L    58_B     0.488     0    0.075   0.089     1.012   92.976   92.917
LGA    K    59_B      K    59_B     0.702     0    0.071   1.126     4.064   90.476   75.608
LGA    E    60_B      E    60_B     0.746     0    0.117   0.843     3.217   95.238   82.275
LGA    G    61_B      G    61_B     0.560     0    0.185   0.185     0.713   90.476   90.476
LGA    V    62_B      V    62_B     0.593     0    0.080   0.100     1.007   92.976   91.905
LGA    R    63_B      R    63_B     0.708     0    0.068   1.001     5.290   95.238   77.749
LGA    L    64_B      L    64_B     0.639     0    0.084   0.130     1.455   92.857   88.274
LGA    E    65_B      E    65_B     0.349     0    0.087   1.091     5.007   97.619   75.714
LGA    K    66_B      K    66_B     0.507     0    0.120   1.150     4.868   97.619   80.952
LGA    V    67_B      V    67_B     0.595     0    0.078   0.072     0.704   90.476   90.476
LGA    D    68_B      D    68_B     0.483     0    0.049   0.231     1.424   97.619   94.107
LGA    I    69_B      I    69_B     0.580     0    0.073   1.152     3.614   92.857   74.524
LGA    G    70_B      G    70_B     0.995     0    0.081   0.081     0.995   90.476   90.476
LGA    S    71_B      S    71_B     0.450     0    0.050   0.591     2.650   92.976   88.175
LGA    E    72_B      E    72_B     0.958     0    0.070   0.470     2.210   90.476   85.608
LGA    V    73_B      V    73_B     1.031     0    0.047   0.046     1.618   83.690   81.497
LGA    K    74_B      K    74_B     0.389     0    0.087   0.902     1.665   92.857   87.566
LGA    D    75_B      D    75_B     1.051     0    0.565   0.630     2.751   79.524   75.298
LGA    R    76_B      R    76_B     2.692     0    0.106   1.456     9.204   62.976   34.069
LGA    R    77_B      R    77_B     1.253     0    0.105   1.015     4.767   83.810   63.723
LGA    R    78_B      R    78_B     0.326     0    0.000   1.187     3.860   95.238   81.688
LGA    I    79_B      I    79_B     0.518     0    0.092   1.135     2.676   92.857   81.071
LGA    S    80_B      S    80_B     0.553     0    0.082   0.707     2.346   92.857   87.778
LGA    Y    81_B      Y    81_B     0.626     0    0.046   0.171     2.208   88.214   80.913
LGA    I    82_B      I    82_B     0.557     0    0.033   0.112     0.677   95.238   94.048
LGA    L    83_B      L    83_B     0.225     0    0.096   0.130     1.141   97.619   91.786
LGA    L    84_B      L    84_B     0.363     0    0.079   0.211     0.559   97.619   97.619
LGA    R    85_B      R    85_B     0.331     0    0.034   1.334     5.478  100.000   78.355
LGA    L    86_B      L    86_B     0.499     0    0.058   0.150     0.877   95.238   92.857
LGA    K    87_B      K    87_B     0.577     0    0.061   0.779     4.326   90.476   74.497
LGA    R    88_B      R    88_B     0.394     0    0.045   1.003     3.767   90.595   78.831
LGA    I    89_B      I    89_B     0.871     0    0.652   0.791     3.461   78.095   82.262
LGA    Y    90_B      Y    90_B     1.305     0    0.085   0.976    10.849   54.762   30.119

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     717    717  100.00                86
SUMMARY(RMSD_GDC):     1.374          1.461                  2.316           88.834   80.512

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     85    1.10    94.767    97.277     7.072

LGA_LOCAL      RMSD:   1.102  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.384  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.374  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.084535 * X  +  -0.362741 * Y  +  -0.928048 * Z  + -115.671860
  Y_new =  -0.183405 * X  +  -0.921133 * Y  +   0.343332 * Z  + -262.462341
  Z_new =  -0.979396 * X  +   0.141185 * Y  +  -0.144397 * Z  + -31.252398 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.138898  1.367448  2.367440   [DEG:  -65.2540   78.3490  135.6443 ]
ZXZ: -1.925133  1.715700 -1.427627   [DEG: -110.3020   98.3024  -81.7970 ]
 
# END of job
