
#######################################################
#                                                     #
#                        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        1.53     1.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.53     1.53
  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     1.58
  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    3    5    6    8   16   27   34   44   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B      4   81   81      3    4    5    6   13   18   34   71   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     79   81   81     17   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K     6_B     K     6_B     79   81   81     10   56   74   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     7_B     V     7_B     79   81   81     32   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T     8_B     T     8_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     9_B     V     9_B     79   81   81     23   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    10_B     V    10_B     79   81   81     23   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    11_B     L    11_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    12_B     Y    12_B     79   81   81     23   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    13_B     V    13_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    14_B     N    14_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    15_B     G    15_B     79   81   81      3   12   18   27   75   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    16_B     D    16_B     79   81   81      3   53   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    17_B     E    17_B     79   81   81     26   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    18_B     V    18_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    19_B     A    19_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    20_B     L    20_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    21_B     V    21_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     H    22_B     H    22_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    23_B     A    23_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    24_B     F    24_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M    25_B     M    25_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    26_B     T    26_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    27_B     T    27_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    28_B     A    28_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    29_B     S    29_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    30_B     L    30_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    31_B     L    31_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    32_B     A    32_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    33_B     K    33_B     79   81   81     29   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    34_B     E    34_B     79   81   81     32   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    35_B     G    35_B     79   81   81      6   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    36_B     K    36_B     79   81   81     25   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    37_B     L    37_B     79   81   81     10   27   72   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    38_B     V    38_B     79   81   81     10   52   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    39_B     E    39_B     79   81   81     11   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    40_B     K    40_B     79   81   81     20   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    41_B     L    41_B     79   81   81     20   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    42_B     I    42_B     79   81   81     31   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    43_B     L    43_B     79   81   81     23   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    44_B     T    44_B     79   81   81     11   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    45_B     S    45_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    46_B     N    46_B     79   81   81     27   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    47_B     F    47_B     79   81   81     27   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    48_B     T    48_B     79   81   81     27   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    49_B     E    49_B     79   81   81     27   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    50_B     R    50_B     79   81   81     27   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    51_B     T    51_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    52_B     V    52_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    53_B     R    53_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    54_B     R    54_B     79   81   81     27   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    55_B     A    55_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    56_B     F    56_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    57_B     D    57_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    58_B     L    58_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    59_B     V    59_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    60_B     R    60_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    61_B     E    61_B     79   81   81     32   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    62_B     L    62_B     79   81   81     15   61   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    63_B     L    63_B     79   81   81     11   61   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     P    64_B     P    64_B     79   81   81     20   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    65_B     A    65_B     79   81   81     13   54   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    66_B     K    66_B     79   81   81     13   58   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    67_B     A    67_B     79   81   81      8   40   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    68_B     E    68_B     79   81   81     11   40   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    69_B     I    69_B     79   81   81     31   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    70_B     I    70_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    71_B     D    71_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    72_B     A    72_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    73_B     L    73_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    74_B     R    74_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    75_B     E    75_B     79   81   81     33   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    76_B     E    76_B     79   81   81     23   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    77_B     A    77_B     79   81   81     24   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    78_B     E    78_B     79   81   81     24   63   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    79_B     K    79_B     79   81   81     10   59   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    80_B     Y    80_B     79   81   81      8   40   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    81_B     F    81_B     79   81   81     15   40   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    82_B     A    82_B     79   81   81     15   58   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    83_B     E    83_B     79   81   81      3   44   76   78   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_AVERAGE  LCS_A:  98.41  (  95.24  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     33     63     76     78     78     79     79     79     80     81     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  40.74  77.78  93.83  96.30  96.30  97.53  97.53  97.53  98.77 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.60   0.79   0.83   0.83   0.94   0.94   0.94   1.23   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53
GDT RMS_ALL_AT   1.58   1.59   1.60   1.59   1.59   1.58   1.58   1.58   1.55   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  E    39_B      E    39_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    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     8.924     0    0.404   0.404     9.778   11.190   11.190
LGA    M     4_B      M     4_B     7.310     0    0.016   0.828    17.357   14.524    7.440
LGA    E     5_B      E     5_B     1.156     0    0.345   1.115     7.214   73.571   54.815
LGA    K     6_B      K     6_B     1.469     0    0.021   0.411     3.532   81.429   68.995
LGA    V     7_B      V     7_B     0.598     0    0.077   0.152     1.203   88.214   91.905
LGA    T     8_B      T     8_B     0.432     0    0.019   0.049     0.825   95.238   94.558
LGA    V     9_B      V     9_B     0.904     0    0.011   0.107     1.414   90.476   87.891
LGA    V    10_B      V    10_B     0.840     0    0.068   0.072     1.081   90.476   89.184
LGA    L    11_B      L    11_B     0.259     0    0.118   1.003     3.437   95.238   84.583
LGA    Y    12_B      Y    12_B     1.065     0    0.039   1.360     9.039   88.214   52.579
LGA    V    13_B      V    13_B     0.458     0    0.062   0.315     1.112   95.238   91.905
LGA    N    14_B      N    14_B     0.319     0    0.570   1.265     5.229   80.714   63.631
LGA    G    15_B      G    15_B     3.923     0    0.581   0.581     3.923   57.500   57.500
LGA    D    16_B      D    16_B     1.481     0    0.269   0.974     3.046   81.548   74.583
LGA    E    17_B      E    17_B     0.931     0    0.054   0.291     2.270   88.214   80.688
LGA    V    18_B      V    18_B     0.592     0    0.064   0.914     2.431   92.857   85.646
LGA    A    19_B      A    19_B     0.488     0    0.099   0.114     0.554   97.619   96.190
LGA    L    20_B      L    20_B     0.530     0    0.026   0.200     0.960   95.238   95.238
LGA    V    21_B      V    21_B     0.392     0    0.070   1.033     2.641  100.000   88.639
LGA    H    22_B      H    22_B     0.258     0    0.020   0.510     1.152  100.000   94.381
LGA    A    23_B      A    23_B     0.409     0    0.064   0.075     0.516  100.000   98.095
LGA    F    24_B      F    24_B     0.403     0    0.026   0.188     0.942  100.000   93.939
LGA    M    25_B      M    25_B     0.270     0    0.023   0.490     1.302  100.000   95.298
LGA    T    26_B      T    26_B     0.151     0    0.055   0.213     0.568  100.000   98.639
LGA    T    27_B      T    27_B     0.251     0    0.034   0.115     0.577  100.000   98.639
LGA    A    28_B      A    28_B     0.274     0    0.008   0.016     0.463  100.000  100.000
LGA    S    29_B      S    29_B     0.349     0    0.021   0.032     0.531  100.000   98.413
LGA    L    30_B      L    30_B     0.290     0    0.035   1.220     3.080  100.000   88.155
LGA    L    31_B      L    31_B     0.146     0    0.114   1.093     2.864   97.619   90.060
LGA    A    32_B      A    32_B     0.247     0    0.014   0.017     0.475  100.000  100.000
LGA    K    33_B      K    33_B     0.828     0    0.054   0.893     3.909   88.214   78.519
LGA    E    34_B      E    34_B     0.808     0    0.048   0.292     1.847   90.476   87.513
LGA    G    35_B      G    35_B     0.993     0    0.072   0.072     0.999   90.476   90.476
LGA    K    36_B      K    36_B     1.072     0    0.044   0.264     1.620   79.286   86.614
LGA    L    37_B      L    37_B     1.865     0    0.017   1.353     5.700   75.000   59.940
LGA    V    38_B      V    38_B     1.323     0    0.090   1.077     2.591   79.286   74.354
LGA    E    39_B      E    39_B     1.167     0    0.033   0.555     1.343   85.952   84.444
LGA    K    40_B      K    40_B     0.729     0    0.016   0.256     1.153   90.476   89.471
LGA    L    41_B      L    41_B     0.729     0    0.027   0.911     2.851   90.476   85.179
LGA    I    42_B      I    42_B     0.733     0    0.025   0.054     0.736   90.476   90.476
LGA    L    43_B      L    43_B     0.863     0    0.039   0.847     2.877   90.476   85.179
LGA    T    44_B      T    44_B     0.786     0    0.352   1.020     3.669   81.786   74.966
LGA    S    45_B      S    45_B     0.444     0    0.053   0.772     3.377   97.619   88.492
LGA    N    46_B      N    46_B     0.989     0    0.033   0.975     3.339   90.476   80.952
LGA    F    47_B      F    47_B     0.814     0    0.063   0.410     2.869   90.476   75.714
LGA    T    48_B      T    48_B     0.722     0    0.056   0.162     0.952   90.476   91.837
LGA    E    49_B      E    49_B     0.849     0    0.028   0.794     4.851   90.476   70.794
LGA    R    50_B      R    50_B     0.612     0    0.015   1.030     4.041   90.476   73.074
LGA    T    51_B      T    51_B     0.242     0    0.061   0.095     0.417  100.000  100.000
LGA    V    52_B      V    52_B     0.298     0    0.028   0.124     0.442  100.000  100.000
LGA    R    53_B      R    53_B     0.389     0    0.028   1.304     6.981  100.000   71.385
LGA    R    54_B      R    54_B     0.638     0    0.018   1.381     5.205   90.476   76.104
LGA    A    55_B      A    55_B     0.317     0    0.033   0.036     0.511   97.619   98.095
LGA    F    56_B      F    56_B     0.418     0    0.050   0.118     0.506   97.619   99.134
LGA    D    57_B      D    57_B     0.450     0    0.064   0.286     0.967  100.000   96.429
LGA    L    58_B      L    58_B     0.196     0    0.050   1.146     2.853  100.000   90.060
LGA    V    59_B      V    59_B     0.133     0    0.020   0.255     0.723  100.000   97.279
LGA    R    60_B      R    60_B     0.275     0    0.018   1.497     6.363  100.000   75.238
LGA    E    61_B      E    61_B     0.636     0    0.027   0.893     3.064   92.857   86.085
LGA    L    62_B      L    62_B     1.070     0    0.049   0.164     2.072   83.690   80.476
LGA    L    63_B      L    63_B     1.070     0    0.118   1.265     2.747   85.952   79.702
LGA    P    64_B      P    64_B     0.839     0    0.042   0.269     1.210   85.952   86.599
LGA    A    65_B      A    65_B     1.448     0    0.077   0.073     1.658   81.429   79.714
LGA    K    66_B      K    66_B     1.160     0    0.035   0.743     2.339   83.690   81.587
LGA    A    67_B      A    67_B     1.528     0    0.055   0.056     1.803   79.286   78.000
LGA    E    68_B      E    68_B     1.594     0    0.020   1.273     7.505   77.143   51.111
LGA    I    69_B      I    69_B     0.742     0    0.026   0.152     1.078   88.214   90.536
LGA    I    70_B      I    70_B     0.418     0    0.015   0.670     2.252   97.619   90.833
LGA    D    71_B      D    71_B     0.526     0    0.023   0.403     1.345   97.619   92.917
LGA    A    72_B      A    72_B     0.540     0    0.029   0.027     0.697   95.238   94.286
LGA    L    73_B      L    73_B     0.361     0    0.027   0.091     0.649   97.619   97.619
LGA    R    74_B      R    74_B     0.318     0    0.057   0.346     2.453   97.619   88.442
LGA    E    75_B      E    75_B     0.385     0    0.108   0.730     3.779   95.238   73.915
LGA    E    76_B      E    76_B     0.748     0    0.051   0.344     1.814   90.476   86.508
LGA    A    77_B      A    77_B     0.703     0    0.015   0.015     0.873   90.476   90.476
LGA    E    78_B      E    78_B     0.755     0    0.069   0.729     3.257   88.214   72.275
LGA    K    79_B      K    79_B     1.129     0    0.059   0.630     1.700   81.548   79.577
LGA    Y    80_B      Y    80_B     1.471     0    0.111   0.133     1.811   79.286   77.143
LGA    F    81_B      F    81_B     1.320     0    0.067   0.154     1.684   79.286   80.736
LGA    A    82_B      A    82_B     1.246     0    0.028   0.030     1.496   81.429   81.429
LGA    E    83_B      E    83_B     1.535     0    0.423   1.225     6.445   60.714   44.762

# 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):     1.531          1.471                  2.208           88.566   82.336

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     79    0.94    92.901    96.800     7.618

LGA_LOCAL      RMSD:   0.937  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.581  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   1.531  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.505396 * X  +  -0.248960 * Y  +  -0.826192 * Z  +  33.585155
  Y_new =  -0.328129 * X  +  -0.830096 * Y  +   0.450858 * Z  +   7.224483
  Z_new =  -0.798064 * X  +   0.498959 * Y  +   0.337837 * Z  +  -8.008011 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.565745  0.924075  0.975617   [DEG: -147.0064   52.9456   55.8988 ]
ZXZ: -2.070337  1.226179 -1.012044   [DEG: -118.6216   70.2549  -57.9859 ]
 
# END of job
