
#######################################################
#                                                     #
#                        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        1.48     1.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.48     1.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       5_B - 83_B        0.94     1.53
  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   40   45   56   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B      4   81   81      4    4    5    7   14   33   40   72   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     79   81   81     13   61   75   78   79   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     13   56   75   78   79   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     27   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     23   61   75   78   79   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     26   61   75   78   79   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     35   61   75   78   79   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   11   18   36   79   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     22   61   75   78   79   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     23   61   75   78   79   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     29   61   75   78   79   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     33   61   75   78   79   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     33   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     26   61   75   78   79   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   61   75   78   79   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     19   61   75   78   79   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     11   61   75   78   79   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   25   68   78   79   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     13   56   75   78   79   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   75   78   79   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     21   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     29   61   75   78   79   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     28   61   75   78   79   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     29   61   75   78   79   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     29   61   75   78   79   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     32   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     30   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     30   61   75   78   79   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   59   75   78   79   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     11   58   75   78   79   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      9   61   75   78   79   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     11   53   75   78   79   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     11   58   75   78   79   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     11   27   75   78   79   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   44   72   78   79   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     28   60   75   78   79   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     35   61   75   78   79   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     34   61   75   78   79   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     30   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     35   61   75   78   79   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     30   60   75   78   79   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     30   61   75   78   79   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     30   61   75   78   79   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     15   58   75   78   79   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     15   44   75   78   79   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     15   44   75   78   79   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     15   44   75   78   79   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      4   44   72   78   79   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     35     61     75     78     79     79     79     79     80     81     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  43.21  75.31  92.59  96.30  97.53  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    0.35   0.59   0.78   0.85   0.94   0.94   0.94   0.94   1.22   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48
GDT RMS_ALL_AT   1.57   1.53   1.54   1.54   1.53   1.53   1.53   1.53   1.50   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  D    16_B      D    16_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    75_B      E    75_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     8.206     0    0.502   0.502     8.601   13.095   13.095
LGA    M     4_B      M     4_B     7.206     0    0.021   0.819    16.301   15.595    7.976
LGA    E     5_B      E     5_B     1.172     0    0.346   1.132     7.513   71.429   52.593
LGA    K     6_B      K     6_B     1.444     0    0.027   0.411     3.570   81.429   68.995
LGA    V     7_B      V     7_B     0.702     0    0.074   0.129     1.202   88.214   91.905
LGA    T     8_B      T     8_B     0.420     0    0.014   0.044     0.693   95.238   95.918
LGA    V     9_B      V     9_B     0.715     0    0.010   0.095     1.105   90.476   89.184
LGA    V    10_B      V    10_B     0.650     0    0.074   0.083     0.839   90.476   90.476
LGA    L    11_B      L    11_B     0.193     0    0.118   0.962     3.250   95.238   84.583
LGA    Y    12_B      Y    12_B     1.132     0    0.057   1.359     9.258   88.214   51.111
LGA    V    13_B      V    13_B     0.689     0    0.054   0.302     1.227   88.214   86.599
LGA    N    14_B      N    14_B     0.456     0    0.028   0.309     4.324   84.167   67.500
LGA    G    15_B      G    15_B     3.677     0    0.655   0.655     3.677   63.452   63.452
LGA    D    16_B      D    16_B     1.102     0    0.195   0.746     3.551   83.810   69.702
LGA    E    17_B      E    17_B     0.848     0    0.024   0.302     2.166   90.476   82.804
LGA    V    18_B      V    18_B     0.622     0    0.078   0.899     2.441   90.476   84.286
LGA    A    19_B      A    19_B     0.528     0    0.108   0.126     0.579   92.857   92.381
LGA    L    20_B      L    20_B     0.539     0    0.032   0.204     1.081   95.238   92.917
LGA    V    21_B      V    21_B     0.349     0    0.080   1.026     2.584  100.000   88.639
LGA    H    22_B      H    22_B     0.267     0    0.027   0.476     1.184  100.000   95.286
LGA    A    23_B      A    23_B     0.450     0    0.029   0.039     0.565  100.000   98.095
LGA    F    24_B      F    24_B     0.407     0    0.038   0.157     0.812  100.000   93.939
LGA    M    25_B      M    25_B     0.258     0    0.016   0.503     1.337  100.000   95.298
LGA    T    26_B      T    26_B     0.090     0    0.046   0.205     0.533  100.000   97.279
LGA    T    27_B      T    27_B     0.219     0    0.046   0.146     0.629  100.000   98.639
LGA    A    28_B      A    28_B     0.266     0    0.015   0.023     0.444  100.000  100.000
LGA    S    29_B      S    29_B     0.377     0    0.023   0.049     0.649   97.619   95.238
LGA    L    30_B      L    30_B     0.412     0    0.039   1.187     3.153   97.619   87.976
LGA    L    31_B      L    31_B     0.264     0    0.115   1.087     2.794   97.619   88.869
LGA    A    32_B      A    32_B     0.262     0    0.010   0.015     0.565   95.238   96.190
LGA    K    33_B      K    33_B     0.935     0    0.058   0.895     3.871   85.952   77.513
LGA    E    34_B      E    34_B     0.949     0    0.055   0.284     2.127   88.214   84.603
LGA    G    35_B      G    35_B     1.004     0    0.069   0.069     1.065   85.952   85.952
LGA    K    36_B      K    36_B     1.218     0    0.050   0.257     1.721   77.143   81.534
LGA    L    37_B      L    37_B     1.952     0    0.010   0.289     3.579   75.000   63.512
LGA    V    38_B      V    38_B     1.393     0    0.087   1.087     2.715   79.286   74.354
LGA    E    39_B      E    39_B     1.265     0    0.021   0.548     1.438   85.952   85.450
LGA    K    40_B      K    40_B     0.758     0    0.007   0.257     1.394   90.476   89.471
LGA    L    41_B      L    41_B     0.571     0    0.021   0.938     2.756   90.476   85.179
LGA    I    42_B      I    42_B     0.561     0    0.033   0.062     0.578   90.476   92.857
LGA    L    43_B      L    43_B     0.737     0    0.037   0.839     2.927   90.476   84.048
LGA    T    44_B      T    44_B     0.658     0    0.343   1.010     3.382   81.786   77.211
LGA    S    45_B      S    45_B     0.273     0    0.048   0.777     3.156   97.619   88.492
LGA    N    46_B      N    46_B     0.871     0    0.043   1.026     3.062   88.214   80.893
LGA    F    47_B      F    47_B     0.784     0    0.056   0.387     2.893   90.476   75.022
LGA    T    48_B      T    48_B     0.696     0    0.063   0.173     0.879   90.476   91.837
LGA    E    49_B      E    49_B     0.790     0    0.023   0.758     4.713   90.476   70.794
LGA    R    50_B      R    50_B     0.472     0    0.021   1.228     4.307   97.619   77.879
LGA    T    51_B      T    51_B     0.216     0    0.069   0.089     0.424  100.000  100.000
LGA    V    52_B      V    52_B     0.173     0    0.024   0.130     0.376  100.000  100.000
LGA    R    53_B      R    53_B     0.321     0    0.026   1.360     6.564  100.000   73.593
LGA    R    54_B      R    54_B     0.622     0    0.021   1.579     6.097   90.476   62.987
LGA    A    55_B      A    55_B     0.312     0    0.024   0.029     0.520   97.619   98.095
LGA    F    56_B      F    56_B     0.377     0    0.048   0.131     0.524  100.000   99.134
LGA    D    57_B      D    57_B     0.379     0    0.072   0.261     0.838  100.000   96.429
LGA    L    58_B      L    58_B     0.138     0    0.057   1.156     2.810  100.000   90.060
LGA    V    59_B      V    59_B     0.149     0    0.018   0.253     0.669  100.000   97.279
LGA    R    60_B      R    60_B     0.265     0    0.015   1.414     6.253  100.000   75.238
LGA    E    61_B      E    61_B     0.688     0    0.030   0.995     2.440   90.595   81.852
LGA    L    62_B      L    62_B     1.142     0    0.038   0.125     2.018   83.690   79.405
LGA    L    63_B      L    63_B     1.121     0    0.114   1.290     3.002   83.690   78.690
LGA    P    64_B      P    64_B     0.842     0    0.051   0.271     1.287   85.952   86.599
LGA    A    65_B      A    65_B     1.417     0    0.099   0.095     1.604   81.429   79.714
LGA    K    66_B      K    66_B     1.109     0    0.028   0.589     1.445   83.690   85.450
LGA    A    67_B      A    67_B     1.566     0    0.062   0.065     1.883   79.286   78.000
LGA    E    68_B      E    68_B     1.709     0    0.021   1.280     7.540   77.143   51.111
LGA    I    69_B      I    69_B     0.897     0    0.030   0.120     1.189   88.214   90.536
LGA    I    70_B      I    70_B     0.465     0    0.016   0.668     2.094   97.619   90.833
LGA    D    71_B      D    71_B     0.566     0    0.035   0.408     1.214   95.238   91.726
LGA    A    72_B      A    72_B     0.777     0    0.023   0.028     0.947   90.476   90.476
LGA    L    73_B      L    73_B     0.531     0    0.036   0.076     0.846   90.476   92.857
LGA    R    74_B      R    74_B     0.415     0    0.053   0.326     2.208   95.238   88.355
LGA    E    75_B      E    75_B     0.460     0    0.122   0.731     3.863   92.976   72.910
LGA    E    76_B      E    76_B     0.894     0    0.048   0.332     1.795   88.214   84.497
LGA    A    77_B      A    77_B     0.792     0    0.011   0.013     0.871   90.476   90.476
LGA    E    78_B      E    78_B     0.721     0    0.067   0.729     3.213   88.214   72.275
LGA    K    79_B      K    79_B     1.142     0    0.079   0.644     1.746   81.548   79.577
LGA    Y    80_B      Y    80_B     1.520     0    0.094   0.144     1.827   75.000   74.286
LGA    F    81_B      F    81_B     1.431     0    0.069   0.153     1.794   79.286   80.736
LGA    A    82_B      A    82_B     1.457     0    0.028   0.029     1.781   77.143   76.286
LGA    E    83_B      E    83_B     1.842     0    0.411   1.239     5.704   55.476   46.614

# 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):     1.484          1.430                  2.175           87.919   81.773

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     79    0.94    92.284    96.594     7.566

LGA_LOCAL      RMSD:   0.944  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.530  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   1.484  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.627637 * X  +  -0.493588 * Y  +   0.602032 * Z  +  30.290863
  Y_new =   0.053571 * X  +   0.798867 * Y  +   0.599118 * Z  +   6.011696
  Z_new =  -0.776661 * X  +  -0.343777 * Y  +   0.527840 * Z  +  -5.855974 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.085148  0.889348 -0.577281   [DEG:    4.8786   50.9559  -33.0758 ]
ZXZ:  2.353768  1.014741 -1.987508   [DEG:  134.8610   58.1404 -113.8758 ]
 
# END of job
