
#######################################################
#                                                     #
#                        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        0.63     0.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.63     0.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.63     0.63
  LCS_AVERAGE:    100.00

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     86   86   86      5   44   71   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     86   86   86     10   27   75   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     86   86   86     33   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     86   86   86     21   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     86   86   86     27   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     86   86   86     54   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     86   86   86     23   70   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     86   86   86     58   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     86   86   86     55   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     86   86   86     54   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     86   86   86     59   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     86   86   86     55   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     86   86   86     54   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     86   86   86     51   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     86   86   86     51   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     86   86   86     46   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     86   86   86     11   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     86   86   86      8   75   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     86   86   86      9   75   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     86   86   86     58   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     86   86   86     59   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     86   86   86     27   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     86   86   86     57   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     86   86   86     55   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     86   86   86     55   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     86   86   86     60   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     86   86   86      4   80   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     60     80     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  69.77  93.02  97.67 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.44   0.52   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63
GDT RMS_ALL_AT   0.65   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_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
#   possible swapping detected:  Y    81_B      Y    81_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     2.429     0    0.591   0.666    12.249   64.048   35.661
LGA    P     6_B      P     6_B     2.119     0    0.018   0.332     3.813   68.810   60.816
LGA    N     7_B      N     7_B     0.755     0    0.030   0.187     1.877   92.976   87.262
LGA    E     8_B      E     8_B     0.834     0    0.064   0.832     6.403   88.333   64.074
LGA    I     9_B      I     9_B     1.028     0    0.140   0.127     1.466   83.690   84.821
LGA    V    10_B      V    10_B     0.505     0    0.044   0.076     0.815   95.238   94.558
LGA    I    11_B      I    11_B     0.298     0    0.046   0.113     0.452  100.000  100.000
LGA    T    12_B      T    12_B     0.620     0    0.124   0.180     1.213   92.857   87.959
LGA    K    13_B      K    13_B     0.689     0    0.134   0.876     4.326   85.952   76.931
LGA    S    14_B      S    14_B     1.584     0    0.114   0.125     2.014   75.119   74.365
LGA    K    15_B      K    15_B     0.345     0    0.128   0.676     1.523   95.238   87.619
LGA    R    16_B      R    16_B     0.162     0    0.029   0.180     1.673  100.000   91.645
LGA    I    17_B      I    17_B     0.332     0    0.022   0.071     0.505  100.000   98.810
LGA    E    18_B      E    18_B     0.346     0    0.029   0.140     0.420  100.000  100.000
LGA    D    19_B      D    19_B     0.355     0    0.028   0.104     0.663  100.000   95.238
LGA    Y    20_B      Y    20_B     0.219     0    0.018   0.100     0.549  100.000   98.413
LGA    V    21_B      V    21_B     0.175     0    0.012   0.065     0.331  100.000  100.000
LGA    L    22_B      L    22_B     0.092     0    0.047   1.358     2.977  100.000   85.893
LGA    D    23_B      D    23_B     0.055     0    0.017   0.148     0.366  100.000  100.000
LGA    T    24_B      T    24_B     0.212     0    0.011   0.053     0.465  100.000  100.000
LGA    I    25_B      I    25_B     0.186     0    0.031   0.144     0.859  100.000   97.619
LGA    I    26_B      I    26_B     0.444     0    0.034   0.044     0.858  100.000   95.238
LGA    L    27_B      L    27_B     0.286     0    0.030   0.105     0.588  100.000   98.810
LGA    F    28_B      F    28_B     0.120     0    0.036   0.126     0.564  100.000   97.403
LGA    N    29_B      N    29_B     0.338     0    0.042   1.393     4.023   97.619   79.464
LGA    Q    30_B      Q    30_B     0.158     0    0.047   0.073     0.562  100.000   98.942
LGA    G    31_B      G    31_B     0.535     0    0.024   0.024     0.544   95.238   95.238
LGA    Y    32_B      Y    32_B     0.427     0    0.135   0.145     1.067   92.976   93.690
LGA    E    33_B      E    33_B     0.659     0    0.024   0.728     2.861   90.476   80.053
LGA    E    34_B      E    34_B     0.155     0    0.015   0.299     1.854  100.000   91.799
LGA    V    35_B      V    35_B     0.316     0    0.039   0.049     0.365  100.000  100.000
LGA    E    36_B      E    36_B     0.408     0    0.061   0.147     0.508   97.619   98.942
LGA    I    37_B      I    37_B     0.647     0    0.011   0.040     0.893   92.857   91.667
LGA    R    38_B      R    38_B     0.518     0    0.089   0.141     1.352   92.857   88.052
LGA    G    39_B      G    39_B     0.515     0    0.042   0.042     0.531   95.238   95.238
LGA    S    40_B      S    40_B     0.528     0    0.088   0.647     1.853   97.619   92.302
LGA    G    41_B      G    41_B     0.096     0    0.047   0.047     0.295  100.000  100.000
LGA    Q    42_B      Q    42_B     0.033     0    0.017   0.793     2.400  100.000   92.963
LGA    E    43_B      E    43_B     0.139     0    0.034   0.874     2.882  100.000   86.402
LGA    I    44_B      I    44_B     0.118     0    0.032   0.078     0.407  100.000  100.000
LGA    N    45_B      N    45_B     0.211     0    0.014   0.891     3.477  100.000   83.988
LGA    K    46_B      K    46_B     0.269     0    0.014   0.050     0.523  100.000   98.942
LGA    A    47_B      A    47_B     0.140     0    0.012   0.012     0.195  100.000  100.000
LGA    I    48_B      I    48_B     0.190     0    0.033   0.058     0.404  100.000  100.000
LGA    E    49_B      E    49_B     0.302     0    0.041   0.617     2.092  100.000   89.894
LGA    V    50_B      V    50_B     0.205     0    0.021   0.044     0.320  100.000  100.000
LGA    Y    51_B      Y    51_B     0.061     0    0.030   0.091     0.434  100.000  100.000
LGA    N    52_B      N    52_B     0.369     0    0.074   0.096     0.778  100.000   95.238
LGA    Q    53_B      Q    53_B     0.259     0    0.022   0.091     0.357  100.000  100.000
LGA    L    54_B      L    54_B     0.179     0    0.012   1.303     2.734  100.000   85.893
LGA    V    55_B      V    55_B     0.274     0    0.033   0.053     0.583  100.000   98.639
LGA    D    56_B      D    56_B     0.272     0    0.017   0.769     3.038  100.000   83.988
LGA    R    57_B      R    57_B     0.444     0    0.012   1.625     9.831   95.238   54.675
LGA    L    58_B      L    58_B     0.533     0    0.014   0.056     0.664   92.857   95.238
LGA    K    59_B      K    59_B     0.641     0    0.026   1.107     4.477   92.857   75.979
LGA    E    60_B      E    60_B     0.664     0    0.067   0.811     2.838   90.476   83.016
LGA    G    61_B      G    61_B     0.588     0    0.047   0.047     0.610   95.238   95.238
LGA    V    62_B      V    62_B     0.254     0    0.041   0.047     0.451  100.000  100.000
LGA    R    63_B      R    63_B     0.123     0    0.026   0.288     1.815  100.000   93.290
LGA    L    64_B      L    64_B     0.172     0    0.021   0.095     0.316  100.000  100.000
LGA    E    65_B      E    65_B     0.275     0    0.023   0.082     0.321  100.000  100.000
LGA    K    66_B      K    66_B     0.108     0    0.045   0.755     3.603  100.000   86.772
LGA    V    67_B      V    67_B     0.179     0    0.033   0.035     0.336  100.000  100.000
LGA    D    68_B      D    68_B     0.466     0    0.080   0.140     0.673   97.619   96.429
LGA    I    69_B      I    69_B     0.283     0    0.058   0.060     0.451  100.000  100.000
LGA    G    70_B      G    70_B     0.842     0    0.043   0.043     0.842   90.476   90.476
LGA    S    71_B      S    71_B     0.458     0    0.076   0.607     2.465   92.857   89.365
LGA    E    72_B      E    72_B     0.842     0    0.075   0.605     2.750   90.476   83.757
LGA    V    73_B      V    73_B     1.251     0    0.076   0.085     2.112   77.262   76.599
LGA    K    74_B      K    74_B     1.313     0    0.071   0.904     3.355   83.690   72.434
LGA    D    75_B      D    75_B     0.662     0    0.059   0.091     1.198   90.476   88.214
LGA    R    76_B      R    76_B     0.399     0    0.048   1.065     3.877   97.619   82.771
LGA    R    77_B      R    77_B     0.297     0    0.016   0.794     3.365  100.000   83.160
LGA    R    78_B      R    78_B     0.253     0    0.045   1.366     7.360   95.238   65.498
LGA    I    79_B      I    79_B     1.204     0    0.131   1.096     2.831   83.690   74.286
LGA    S    80_B      S    80_B     0.738     0    0.020   0.030     1.257   95.238   92.143
LGA    Y    81_B      Y    81_B     0.408     0    0.015   0.128     1.153   97.619   91.389
LGA    I    82_B      I    82_B     0.243     0    0.026   0.053     0.417  100.000  100.000
LGA    L    83_B      L    83_B     0.344     0    0.022   1.367     2.970  100.000   85.893
LGA    L    84_B      L    84_B     0.565     0    0.102   0.142     1.057   88.214   89.345
LGA    R    85_B      R    85_B     0.332     0    0.040   1.375     6.084  100.000   75.281
LGA    L    86_B      L    86_B     0.210     0    0.021   0.343     1.088  100.000   96.488
LGA    K    87_B      K    87_B     0.390     0    0.028   0.268     1.661  100.000   93.862
LGA    R    88_B      R    88_B     0.597     0    0.021   1.180     5.812   90.476   70.173
LGA    I    89_B      I    89_B     0.542     0    0.661   0.776     3.168   78.095   82.500
LGA    Y    90_B      Y    90_B     1.231     0    0.153   1.216    10.766   56.905   32.619

# 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):     0.626          0.755                  1.757           94.970   88.737

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.63    98.256    99.276    11.847

LGA_LOCAL      RMSD:   0.626  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.626  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.626  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.753440 * X  +  -0.630232 * Y  +   0.187447 * Z  +   8.503361
  Y_new =  -0.657485 * X  +   0.724970 * Y  +  -0.205260 * Z  +   9.147132
  Z_new =  -0.006532 * X  +  -0.277895 * Y  +  -0.960589 * Z  +  -3.518905 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.424098  0.006532 -2.859985   [DEG: -138.8906    0.3742 -163.8651 ]
ZXZ:  0.740068  2.859911 -3.118093   [DEG:   42.4028  163.8608 -178.6536 ]
 
# END of job
