
#######################################################
#                                                     #
#                        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        0.57     0.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.57     0.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.57     0.57
  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     11   58   85   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      9   24   84   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     35   81   85   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     62   81   85   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     33   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     32   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     33   81   85   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     39   81   85   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     61   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     53   81   85   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     58   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     41   81   85   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     62   81   85   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      8   81   85   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   17   85   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      8   75   85   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     61   81   85   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     28   81   85   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     62   81   85   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     62   81   85   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     33   81   85   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     41   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     62   81   85   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     61   81   85   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     35   81   85   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     26   81   85   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     55   81   85   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     62     81     85     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  72.09  94.19  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.44   0.53   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57
GDT RMS_ALL_AT   0.59   0.58   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57

# 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     1.845     0    0.602   0.666    11.593   72.024   40.899
LGA    P     6_B      P     6_B     1.950     0    0.021   0.329     3.519   72.857   64.150
LGA    N     7_B      N     7_B     0.822     0    0.021   0.242     1.768   92.976   88.393
LGA    E     8_B      E     8_B     0.576     0    0.057   0.855     6.271   90.595   66.720
LGA    I     9_B      I     9_B     0.837     0    0.133   0.121     1.258   88.214   89.345
LGA    V    10_B      V    10_B     0.469     0    0.046   0.081     0.775   97.619   95.918
LGA    I    11_B      I    11_B     0.249     0    0.049   0.116     0.564   97.619   98.810
LGA    T    12_B      T    12_B     0.544     0    0.105   0.147     1.060   95.238   90.612
LGA    K    13_B      K    13_B     0.520     0    0.116   0.847     3.973   90.595   80.529
LGA    S    14_B      S    14_B     1.233     0    0.078   0.079     1.465   81.429   81.429
LGA    K    15_B      K    15_B     0.385     0    0.125   0.664     1.345   95.238   88.571
LGA    R    16_B      R    16_B     0.245     0    0.036   0.192     2.027  100.000   87.619
LGA    I    17_B      I    17_B     0.320     0    0.013   0.061     0.442  100.000  100.000
LGA    E    18_B      E    18_B     0.320     0    0.033   0.135     0.528  100.000   97.884
LGA    D    19_B      D    19_B     0.287     0    0.035   0.140     0.545  100.000   98.810
LGA    Y    20_B      Y    20_B     0.269     0    0.039   0.122     0.415  100.000  100.000
LGA    V    21_B      V    21_B     0.182     0    0.022   0.055     0.284  100.000  100.000
LGA    L    22_B      L    22_B     0.214     0    0.040   1.352     3.110  100.000   85.000
LGA    D    23_B      D    23_B     0.113     0    0.016   0.162     0.449  100.000  100.000
LGA    T    24_B      T    24_B     0.223     0    0.013   0.044     0.302  100.000  100.000
LGA    I    25_B      I    25_B     0.287     0    0.032   0.135     0.888  100.000   97.619
LGA    I    26_B      I    26_B     0.301     0    0.030   0.047     0.659  100.000   97.619
LGA    L    27_B      L    27_B     0.140     0    0.026   0.104     0.495  100.000  100.000
LGA    F    28_B      F    28_B     0.365     0    0.045   0.164     0.755   95.238   94.805
LGA    N    29_B      N    29_B     0.552     0    0.045   1.379     4.267   92.857   74.940
LGA    Q    30_B      Q    30_B     0.315     0    0.051   0.100     0.467  100.000  100.000
LGA    G    31_B      G    31_B     0.941     0    0.018   0.018     0.941   90.476   90.476
LGA    Y    32_B      Y    32_B     0.631     0    0.126   0.131     1.078   88.214   92.897
LGA    E    33_B      E    33_B     0.527     0    0.028   0.736     2.828   95.238   82.169
LGA    E    34_B      E    34_B     0.260     0    0.031   0.138     1.179  100.000   93.704
LGA    V    35_B      V    35_B     0.226     0    0.055   0.052     0.317  100.000  100.000
LGA    E    36_B      E    36_B     0.168     0    0.061   0.167     0.765  100.000   96.825
LGA    I    37_B      I    37_B     0.479     0    0.010   0.049     0.636  100.000   97.619
LGA    R    38_B      R    38_B     0.466     0    0.075   0.402     2.110   97.619   88.312
LGA    G    39_B      G    39_B     0.458     0    0.044   0.044     0.469  100.000  100.000
LGA    S    40_B      S    40_B     0.562     0    0.086   0.642     1.774   97.619   92.302
LGA    G    41_B      G    41_B     0.115     0    0.044   0.044     0.328  100.000  100.000
LGA    Q    42_B      Q    42_B     0.104     0    0.014   0.792     2.389  100.000   92.011
LGA    E    43_B      E    43_B     0.181     0    0.029   0.842     2.740  100.000   86.402
LGA    I    44_B      I    44_B     0.190     0    0.032   0.075     0.495  100.000  100.000
LGA    N    45_B      N    45_B     0.236     0    0.015   0.905     3.403  100.000   85.952
LGA    K    46_B      K    46_B     0.258     0    0.015   0.063     0.404  100.000  100.000
LGA    A    47_B      A    47_B     0.154     0    0.014   0.014     0.239  100.000  100.000
LGA    I    48_B      I    48_B     0.215     0    0.033   0.056     0.480  100.000  100.000
LGA    E    49_B      E    49_B     0.302     0    0.038   0.613     2.135  100.000   88.942
LGA    V    50_B      V    50_B     0.190     0    0.020   0.049     0.318  100.000  100.000
LGA    Y    51_B      Y    51_B     0.071     0    0.023   0.105     0.540  100.000   99.206
LGA    N    52_B      N    52_B     0.357     0    0.037   0.066     0.832  100.000   95.238
LGA    Q    53_B      Q    53_B     0.242     0    0.012   0.138     0.433  100.000  100.000
LGA    L    54_B      L    54_B     0.045     0    0.015   0.039     0.160  100.000  100.000
LGA    V    55_B      V    55_B     0.259     0    0.012   0.047     0.550  100.000   98.639
LGA    D    56_B      D    56_B     0.285     0    0.021   0.103     0.806  100.000   97.619
LGA    R    57_B      R    57_B     0.406     0    0.027   1.656    10.024   95.238   54.242
LGA    L    58_B      L    58_B     0.503     0    0.040   0.050     0.632   92.857   95.238
LGA    K    59_B      K    59_B     0.712     0    0.054   0.965     4.746   92.857   78.730
LGA    E    60_B      E    60_B     0.635     0    0.089   0.848     3.088   90.476   82.434
LGA    G    61_B      G    61_B     0.544     0    0.057   0.057     0.594   92.857   92.857
LGA    V    62_B      V    62_B     0.336     0    0.074   0.095     0.474  100.000  100.000
LGA    R    63_B      R    63_B     0.248     0    0.018   0.448     2.847  100.000   86.450
LGA    L    64_B      L    64_B     0.239     0    0.031   0.101     0.361  100.000  100.000
LGA    E    65_B      E    65_B     0.338     0    0.038   0.781     3.333  100.000   83.704
LGA    K    66_B      K    66_B     0.188     0    0.042   0.754     3.570  100.000   86.772
LGA    V    67_B      V    67_B     0.189     0    0.036   0.045     0.303  100.000  100.000
LGA    D    68_B      D    68_B     0.391     0    0.073   0.104     0.591   97.619   97.619
LGA    I    69_B      I    69_B     0.146     0    0.104   1.059     2.410  100.000   86.786
LGA    G    70_B      G    70_B     0.903     0    0.042   0.042     0.903   90.476   90.476
LGA    S    71_B      S    71_B     0.388     0    0.087   0.659     2.839   90.595   86.587
LGA    E    72_B      E    72_B     0.783     0    0.070   0.633     2.826   90.476   83.757
LGA    V    73_B      V    73_B     1.260     0    0.074   0.082     2.026   77.262   76.599
LGA    K    74_B      K    74_B     1.168     0    0.078   0.843     3.340   85.952   74.444
LGA    D    75_B      D    75_B     0.474     0    0.060   0.087     0.760   97.619   95.238
LGA    R    76_B      R    76_B     0.592     0    0.047   1.070     3.823   95.238   80.909
LGA    R    77_B      R    77_B     0.262     0    0.026   0.793     3.720  100.000   85.844
LGA    R    78_B      R    78_B     0.235     0    0.039   0.957     5.653   97.619   72.641
LGA    I    79_B      I    79_B     1.019     0    0.131   1.091     2.646   85.952   76.488
LGA    S    80_B      S    80_B     0.647     0    0.018   0.052     1.180   95.238   92.143
LGA    Y    81_B      Y    81_B     0.417     0    0.022   0.105     1.209   97.619   89.841
LGA    I    82_B      I    82_B     0.250     0    0.025   0.054     0.404  100.000  100.000
LGA    L    83_B      L    83_B     0.250     0    0.033   0.082     0.338  100.000  100.000
LGA    L    84_B      L    84_B     0.379     0    0.084   0.137     0.777   97.619   98.810
LGA    R    85_B      R    85_B     0.270     0    0.049   1.284     6.924  100.000   66.580
LGA    L    86_B      L    86_B     0.220     0    0.008   0.096     0.489  100.000  100.000
LGA    K    87_B      K    87_B     0.490     0    0.025   0.414     2.632   95.238   86.984
LGA    R    88_B      R    88_B     0.830     0    0.032   1.153     5.695   90.476   66.970
LGA    I    89_B      I    89_B     0.866     0    0.659   0.762     3.405   78.095   81.310
LGA    Y    90_B      Y    90_B     0.814     0    0.194   1.179    10.261   64.286   36.032

# 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):     0.570          0.699                  1.707           95.620   89.354

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.57    98.547    99.454    12.832

LGA_LOCAL      RMSD:   0.570  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.570  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.570  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.626001 * X  +   0.570094 * Y  +   0.532085 * Z  +   8.151535
  Y_new =   0.559326 * X  +  -0.147206 * Y  +   0.815772 * Z  +   8.427128
  Z_new =   0.543393 * X  +   0.808284 * Y  +  -0.226718 * Z  +  -3.306554 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.412385 -0.574474  1.844262   [DEG:  138.2195  -32.9149  105.6684 ]
ZXZ:  2.563639  1.799503  0.591879   [DEG:  146.8857  103.1039   33.9122 ]
 
# END of job
