
#######################################################
#                                                     #
#                        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        1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       6_B - 90_B        0.99     1.12
  LCS_AVERAGE:     97.73

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    3    9   83   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     85   86   86      3    4    5    5    6   25   34   57   74   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     85   86   86      3   18   76   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     85   86   86     58   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     85   86   86      5   42   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     85   86   86     65   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     85   86   86     53   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     85   86   86     12   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     85   86   86     12   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     85   86   86     55   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     85   86   86     62   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     85   86   86     52   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     85   86   86     10   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     85   86   86     10   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     85   86   86     61   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     85   86   86      4   77   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     85   86   86      4   17   65   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     85   86   86      6   78   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     85   86   86     65   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     85   86   86     62   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     85   86   86     66   79   82   83   84   84   85   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  99.24  (  97.73  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     66     79     82     83     84     84     85     85     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  76.74  91.86  95.35  96.51  97.67  97.67  98.84  98.84  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.43   0.49   0.55   0.62   0.62   0.82   0.82   0.82   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11
GDT RMS_ALL_AT   1.16   1.16   1.15   1.14   1.14   1.14   1.12   1.12   1.12   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     4.897     0    0.582   1.385     8.278   27.857   25.238
LGA    P     6_B      P     6_B     7.111     0    0.660   0.672    10.009   17.619   10.952
LGA    N     7_B      N     7_B     2.230     0    0.458   0.424     3.433   71.667   70.536
LGA    E     8_B      E     8_B     0.530     0    0.176   0.687     5.801   92.976   61.746
LGA    I     9_B      I     9_B     0.201     0    0.036   0.559     2.824   97.619   92.262
LGA    V    10_B      V    10_B     0.305     0    0.032   0.057     0.622  100.000   98.639
LGA    I    11_B      I    11_B     0.574     0    0.018   0.577     1.876   92.857   91.845
LGA    T    12_B      T    12_B     1.378     0    0.098   1.164     3.167   85.952   75.918
LGA    K    13_B      K    13_B     0.468     0    0.115   0.438     3.477   95.238   82.434
LGA    S    14_B      S    14_B     0.545     0    0.159   0.580     1.972   90.595   87.619
LGA    K    15_B      K    15_B     0.335     0    0.126   0.295     1.079   92.976   94.762
LGA    R    16_B      R    16_B     0.637     0    0.064   1.105     3.528   95.238   82.338
LGA    I    17_B      I    17_B     0.152     0    0.035   1.335     3.103  100.000   83.036
LGA    E    18_B      E    18_B     0.237     0    0.080   1.529     6.090  100.000   73.598
LGA    D    19_B      D    19_B     0.340     0    0.046   1.128     3.642  100.000   83.155
LGA    Y    20_B      Y    20_B     0.305     0    0.039   0.299     1.792  100.000   91.508
LGA    V    21_B      V    21_B     0.194     0    0.043   0.811     1.866  100.000   92.245
LGA    L    22_B      L    22_B     0.400     0    0.032   1.012     2.888  100.000   89.048
LGA    D    23_B      D    23_B     0.459     0    0.035   0.157     1.010  100.000   95.298
LGA    T    24_B      T    24_B     0.284     0    0.028   1.114     2.568  100.000   88.844
LGA    I    25_B      I    25_B     0.298     0    0.022   0.174     0.764  100.000   97.619
LGA    I    26_B      I    26_B     0.323     0    0.036   1.408     3.616  100.000   83.155
LGA    L    27_B      L    27_B     0.424     0    0.042   0.253     0.825   95.238   92.857
LGA    F    28_B      F    28_B     0.579     0    0.024   0.190     1.059   90.476   89.654
LGA    N    29_B      N    29_B     1.002     0    0.052   1.345     4.388   83.690   69.583
LGA    Q    30_B      Q    30_B     1.349     0    0.069   1.090     3.904   75.119   68.836
LGA    G    31_B      G    31_B     1.423     0    0.048   0.048     1.423   81.429   81.429
LGA    Y    32_B      Y    32_B     0.889     0    0.073   0.169     2.507   90.476   79.643
LGA    E    33_B      E    33_B     0.636     0    0.029   0.523     1.497   92.857   88.519
LGA    E    34_B      E    34_B     0.251     0    0.016   0.741     2.830  100.000   84.497
LGA    V    35_B      V    35_B     0.259     0    0.042   0.112     0.633  100.000   98.639
LGA    E    36_B      E    36_B     0.221     0    0.030   0.448     1.069  100.000   96.878
LGA    I    37_B      I    37_B     0.146     0    0.079   1.337     3.826  100.000   82.917
LGA    R    38_B      R    38_B     0.225     0    0.043   1.165     5.269  100.000   79.870
LGA    G    39_B      G    39_B     0.195     0    0.031   0.031     0.296  100.000  100.000
LGA    S    40_B      S    40_B     0.410     0    0.049   0.576     1.548  100.000   93.889
LGA    G    41_B      G    41_B     0.160     0    0.031   0.031     0.339  100.000  100.000
LGA    Q    42_B      Q    42_B     0.416     0    0.077   0.661     2.840   97.619   79.894
LGA    E    43_B      E    43_B     0.074     0    0.103   0.243     0.812  100.000   95.767
LGA    I    44_B      I    44_B     0.287     0    0.034   0.097     0.582  100.000   98.810
LGA    N    45_B      N    45_B     0.440     0    0.038   0.841     3.849  100.000   81.012
LGA    K    46_B      K    46_B     0.232     0    0.028   0.626     2.103  100.000   93.069
LGA    A    47_B      A    47_B     0.186     0    0.039   0.062     0.290  100.000  100.000
LGA    I    48_B      I    48_B     0.164     0    0.054   0.143     0.997  100.000   97.619
LGA    E    49_B      E    49_B     0.230     0    0.050   0.557     2.103  100.000   95.026
LGA    V    50_B      V    50_B     0.136     0    0.031   0.079     0.375  100.000  100.000
LGA    Y    51_B      Y    51_B     0.234     0    0.027   0.086     0.496  100.000  100.000
LGA    N    52_B      N    52_B     0.331     0    0.047   1.064     3.521  100.000   84.167
LGA    Q    53_B      Q    53_B     0.185     0    0.045   0.831     2.988  100.000   84.392
LGA    L    54_B      L    54_B     0.289     0    0.036   1.333     3.169  100.000   85.000
LGA    V    55_B      V    55_B     0.401     0    0.033   0.108     0.707   97.619   95.918
LGA    D    56_B      D    56_B     0.528     0    0.021   0.911     2.814   95.238   82.321
LGA    R    57_B      R    57_B     0.090     0    0.046   1.749     8.802  100.000   59.264
LGA    L    58_B      L    58_B     0.269     0    0.048   0.108     0.385  100.000  100.000
LGA    K    59_B      K    59_B     0.346     0    0.022   1.041     7.005  100.000   68.413
LGA    E    60_B      E    60_B     0.207     0    0.027   1.185     5.822  100.000   73.228
LGA    G    61_B      G    61_B     0.186     0    0.145   0.145     0.643   97.619   97.619
LGA    V    62_B      V    62_B     0.237     0    0.015   0.078     0.337  100.000  100.000
LGA    R    63_B      R    63_B     0.279     0    0.043   0.841     2.756  100.000   80.866
LGA    L    64_B      L    64_B     0.344     0    0.049   1.032     3.202  100.000   87.976
LGA    E    65_B      E    65_B     0.285     0    0.111   0.921     4.008   92.976   73.280
LGA    K    66_B      K    66_B     0.755     0    0.080   0.829     1.977   97.619   86.772
LGA    V    67_B      V    67_B     0.263     0    0.053   0.944     2.490  100.000   91.088
LGA    D    68_B      D    68_B     0.214     0    0.022   0.804     3.001  100.000   85.000
LGA    I    69_B      I    69_B     0.218     0    0.040   0.127     0.728  100.000   97.619
LGA    G    70_B      G    70_B     0.674     0    0.066   0.066     0.674   90.476   90.476
LGA    S    71_B      S    71_B     0.356     0    0.043   0.115     0.804   95.238   96.825
LGA    E    72_B      E    72_B     0.717     0    0.026   0.651     2.561   90.476   80.053
LGA    V    73_B      V    73_B     0.707     0    0.037   1.213     2.631   90.476   82.041
LGA    K    74_B      K    74_B     0.590     0    0.414   1.450     2.971   82.143   73.651
LGA    D    75_B      D    75_B     1.121     0    0.567   0.564     2.086   81.548   76.250
LGA    R    76_B      R    76_B     2.701     0    0.345   0.859     7.577   73.929   38.095
LGA    R    77_B      R    77_B     1.035     0    0.126   0.383     7.427   83.690   46.926
LGA    R    78_B      R    78_B     0.285     0    0.025   1.231     4.513   97.619   74.762
LGA    I    79_B      I    79_B     0.797     0    0.050   0.199     2.093   92.857   83.988
LGA    S    80_B      S    80_B     0.625     0    0.057   0.721     2.126   95.238   89.365
LGA    Y    81_B      Y    81_B     0.551     0    0.042   0.128     1.335   92.857   89.008
LGA    I    82_B      I    82_B     0.462     0    0.024   0.102     0.604   97.619   97.619
LGA    L    83_B      L    83_B     0.164     0    0.014   1.374     3.342  100.000   83.810
LGA    L    84_B      L    84_B     0.350     0    0.076   0.103     0.778   97.619   98.810
LGA    R    85_B      R    85_B     0.268     0    0.024   1.358     6.080  100.000   74.719
LGA    L    86_B      L    86_B     0.213     0    0.026   0.069     0.628  100.000   98.810
LGA    K    87_B      K    87_B     0.345     0    0.064   0.759     2.289  100.000   87.037
LGA    R    88_B      R    88_B     0.260     0    0.048   0.696     1.533   97.619   91.558
LGA    I    89_B      I    89_B     0.659     0    0.089   1.117     2.977   97.619   82.381
LGA    Y    90_B      Y    90_B     0.494     0    0.048   0.164     1.169   95.238   87.540

# 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):     1.112          1.075                  2.031           94.196   84.382

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     85    0.82    96.802    98.286     9.201

LGA_LOCAL      RMSD:   0.824  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.122  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.112  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.918395 * X  +   0.389161 * Y  +   0.071450 * Z  +   1.901787
  Y_new =  -0.356862 * X  +   0.892699 * Y  +  -0.275206 * Z  +  33.931320
  Z_new =  -0.170883 * X  +   0.227250 * Y  +   0.958727 * Z  + -16.302553 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.370615  0.171725  0.232738   [DEG:  -21.2347    9.8391   13.3349 ]
ZXZ:  0.254016  0.288307 -0.644754   [DEG:   14.5540   16.5188  -36.9417 ]
 
# END of job
