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

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.48     1.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       8_B - 90_B        0.98     1.53
  LCS_AVERAGE:     94.01

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    6   11   14   31   60   83   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      3    3    4    9   12   22   29   37   71   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     58   86   86      6   37   59   79   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     83   86   86     14   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     83   86   86      9   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     83   86   86      6   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     83   86   86      6   49   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     83   86   86      4   51   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     83   86   86      4   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     83   86   86      7   31   71   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     83   86   86     19   60   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     83   86   86     25   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     83   86   86     20   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     83   86   86      6   30   70   79   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     83   86   86      6   27   63   76   82   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     83   86   86     11   56   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     83   86   86     10   57   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     83   86   86     23   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     83   86   86     21   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     83   86   86     22   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     83   86   86     14   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     83   86   86      4   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     83   86   86      7   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     83   86   86     28   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     83   86   86     10   58   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     83   86   86     28   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     83   86   86     28   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     83   86   86     23   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     83   86   86     25   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     83   86   86     10   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     83   86   86      9   37   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     83   86   86      5   25   72   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     83   86   86      9   53   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     83   86   86     22   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     83   86   86     24   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     83   86   86     24   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     83   86   86      8   56   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     83   86   86     14   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     83   86   86     14   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     83   86   86     14   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     83   86   86      9   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     83   86   86     20   57   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     83   86   86     23   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     83   86   86     14   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     83   86   86      5   46   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     83   86   86      5   56   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     83   86   86      7   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     83   86   86      6   21   70   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     83   86   86      7   53   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     83   86   86     14   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     83   86   86     13   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     83   86   86     27   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     83   86   86     24   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     83   86   86     31   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     83   86   86     23   61   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     83   86   86      3   58   78   81   83   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.00  (  94.01  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     31     61     78     81     83     84     84     84     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  36.05  70.93  90.70  94.19  96.51  97.67  97.67  97.67  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    0.36   0.64   0.83   0.90   0.97   1.02   1.02   1.02   1.25   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48
GDT RMS_ALL_AT   1.62   1.53   1.52   1.53   1.52   1.52   1.52   1.52   1.49   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48   1.48

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  D    19_B      D    19_B
#   possible swapping detected:  Y    20_B      Y    20_B
#   possible swapping detected:  D    23_B      D    23_B
#   possible swapping detected:  F    28_B      F    28_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    75_B      D    75_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     6.942     0    0.545   0.936    15.185   15.238    7.407
LGA    P     6_B      P     6_B     7.969     0    0.675   0.622    10.435    8.095    4.898
LGA    N     7_B      N     7_B     2.739     0    0.175   1.043     4.089   60.119   66.548
LGA    E     8_B      E     8_B     1.497     0    0.114   0.926     5.630   75.119   55.661
LGA    I     9_B      I     9_B     1.210     0    0.047   0.087     2.020   85.952   79.464
LGA    V    10_B      V    10_B     0.997     0    0.046   0.050     1.390   83.690   86.599
LGA    I    11_B      I    11_B     1.309     0    0.036   0.620     2.531   79.286   72.083
LGA    T    12_B      T    12_B     1.312     0    0.257   0.423     2.019   77.262   80.340
LGA    K    13_B      K    13_B     1.053     0    0.751   0.870     3.259   71.429   67.037
LGA    S    14_B      S    14_B     1.861     0    0.267   0.548     5.148   77.143   65.317
LGA    K    15_B      K    15_B     0.694     0    0.147   0.612     3.235   90.595   81.323
LGA    R    16_B      R    16_B     0.580     0    0.105   0.668     3.334   92.857   78.571
LGA    I    17_B      I    17_B     0.097     0    0.083   0.701     2.740  100.000   93.452
LGA    E    18_B      E    18_B     0.312     0    0.056   0.845     3.370  100.000   86.614
LGA    D    19_B      D    19_B     0.231     0    0.000   0.242     0.804  100.000   97.619
LGA    Y    20_B      Y    20_B     0.581     0    0.078   0.196     1.791   95.238   85.397
LGA    V    21_B      V    21_B     0.432     0    0.037   0.091     0.710  100.000   97.279
LGA    L    22_B      L    22_B     0.340     0    0.021   0.159     1.327  100.000   94.167
LGA    D    23_B      D    23_B     0.249     0    0.036   0.153     0.825  100.000   97.619
LGA    T    24_B      T    24_B     0.454     0    0.013   0.029     0.518  100.000   97.279
LGA    I    25_B      I    25_B     0.533     0    0.058   0.204     1.110   95.238   90.595
LGA    I    26_B      I    26_B     0.504     0    0.063   0.183     0.811   92.857   92.857
LGA    L    27_B      L    27_B     0.597     0    0.052   0.172     0.956   92.857   94.048
LGA    F    28_B      F    28_B     0.854     0    0.082   0.121     1.228   85.952   86.364
LGA    N    29_B      N    29_B     2.363     0    0.108   1.438     6.705   61.190   47.560
LGA    Q    30_B      Q    30_B     2.853     0    0.211   1.028     3.890   55.595   54.127
LGA    G    31_B      G    31_B     1.371     0    0.106   0.106     1.691   77.143   77.143
LGA    Y    32_B      Y    32_B     1.320     0    0.110   0.098     2.851   83.810   73.214
LGA    E    33_B      E    33_B     0.182     0    0.046   0.743     1.736   97.619   93.862
LGA    E    34_B      E    34_B     0.601     0    0.067   0.165     1.679   92.857   85.608
LGA    V    35_B      V    35_B     0.607     0    0.117   0.181     1.320   90.595   90.544
LGA    E    36_B      E    36_B     0.636     0    0.106   0.217     1.638   90.476   84.497
LGA    I    37_B      I    37_B     0.379     0    0.150   1.184     2.854   97.619   85.476
LGA    R    38_B      R    38_B     0.532     0    0.169   1.126     3.174   95.238   76.840
LGA    G    39_B      G    39_B     1.038     0    0.114   0.114     1.132   83.690   83.690
LGA    S    40_B      S    40_B     0.731     0    0.099   0.145     1.024   90.595   90.556
LGA    G    41_B      G    41_B     0.865     0    0.159   0.159     0.881   90.476   90.476
LGA    Q    42_B      Q    42_B     0.885     0    0.104   1.376     6.275   88.214   62.011
LGA    E    43_B      E    43_B     0.818     0    0.227   0.872     4.290   92.857   73.651
LGA    I    44_B      I    44_B     1.179     0    0.053   1.283     3.509   83.690   77.798
LGA    N    45_B      N    45_B     0.889     0    0.045   0.937     4.264   88.214   70.952
LGA    K    46_B      K    46_B     0.490     0    0.000   0.709     3.315  100.000   83.545
LGA    A    47_B      A    47_B     0.475     0    0.030   0.034     0.638   97.619   96.190
LGA    I    48_B      I    48_B     0.652     0    0.016   0.125     0.924   90.476   90.476
LGA    E    49_B      E    49_B     0.579     0    0.000   0.672     1.920   90.476   83.598
LGA    V    50_B      V    50_B     0.447     0    0.067   0.096     0.468  100.000  100.000
LGA    Y    51_B      Y    51_B     0.562     0    0.071   0.791     4.027   92.857   76.190
LGA    N    52_B      N    52_B     0.635     0    0.064   0.830     3.276   90.476   78.036
LGA    Q    53_B      Q    53_B     0.393     0    0.074   0.741     3.155  100.000   85.608
LGA    L    54_B      L    54_B     0.463     0    0.013   1.366     2.977   95.238   83.512
LGA    V    55_B      V    55_B     0.881     0    0.088   0.159     1.544   88.214   86.667
LGA    D    56_B      D    56_B     0.783     0    0.079   0.846     3.609   88.214   73.393
LGA    R    57_B      R    57_B     0.997     0    0.009   1.832    10.867   83.810   45.714
LGA    L    58_B      L    58_B     1.545     0    0.141   0.122     1.997   75.000   73.929
LGA    K    59_B      K    59_B     2.030     0    0.116   1.170     7.133   70.833   52.540
LGA    E    60_B      E    60_B     1.372     0    0.072   0.803     2.197   81.548   79.683
LGA    G    61_B      G    61_B     0.649     0    0.185   0.185     1.990   88.452   88.452
LGA    V    62_B      V    62_B     0.655     0    0.122   1.000     2.613   90.476   83.197
LGA    R    63_B      R    63_B     0.517     0    0.033   1.540     5.675   90.476   73.290
LGA    L    64_B      L    64_B     0.615     0    0.187   1.139     4.798   92.857   73.036
LGA    E    65_B      E    65_B     1.461     0    0.685   1.110     3.768   72.024   69.788
LGA    K    66_B      K    66_B     0.851     0    0.285   0.921     6.615   86.071   68.201
LGA    V    67_B      V    67_B     0.629     0    0.067   1.053     2.837   88.214   81.837
LGA    D    68_B      D    68_B     1.052     0    0.050   0.154     2.945   90.595   76.786
LGA    I    69_B      I    69_B     0.630     0    0.129   1.198     3.599   90.476   72.500
LGA    G    70_B      G    70_B     1.308     0    0.190   0.190     1.308   83.690   83.690
LGA    S    71_B      S    71_B     0.641     0    0.116   0.595     2.542   86.190   82.063
LGA    E    72_B      E    72_B     0.819     0    0.062   0.425     1.475   90.476   88.466
LGA    V    73_B      V    73_B     1.353     0    0.055   0.117     2.401   77.381   74.286
LGA    K    74_B      K    74_B     1.247     0    0.142   0.830     4.218   85.952   66.561
LGA    D    75_B      D    75_B     0.982     0    0.185   0.239     1.686   86.190   82.738
LGA    R    76_B      R    76_B     2.059     0    0.015   1.702     6.067   64.881   56.017
LGA    R    77_B      R    77_B     1.429     0    0.093   1.105     6.414   81.548   60.216
LGA    R    78_B      R    78_B     0.856     0    0.068   1.365     6.140   88.214   65.065
LGA    I    79_B      I    79_B     0.642     0    0.067   1.437     3.990   90.476   76.250
LGA    S    80_B      S    80_B     0.574     0    0.068   0.710     1.536   95.238   90.714
LGA    Y    81_B      Y    81_B     0.713     0    0.064   0.120     1.844   88.214   83.056
LGA    I    82_B      I    82_B     0.489     0    0.071   0.117     1.164   95.238   91.726
LGA    L    83_B      L    83_B     0.166     0    0.059   0.109     0.866  100.000   96.429
LGA    L    84_B      L    84_B     0.371     0    0.140   1.367     3.924   97.619   80.774
LGA    R    85_B      R    85_B     0.470     0    0.069   0.998     3.814   97.619   84.156
LGA    L    86_B      L    86_B     0.158     0    0.041   0.136     1.085  100.000   95.298
LGA    K    87_B      K    87_B     0.481     0    0.028   0.815     5.227   97.619   72.804
LGA    R    88_B      R    88_B     0.213     0    0.125   1.117     2.626   95.357   86.061
LGA    I    89_B      I    89_B     1.197     0    0.076   0.661     3.386   83.810   71.488
LGA    Y    90_B      Y    90_B     1.105     0    0.066   1.347     7.265   74.048   46.746

# 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):     1.484          1.499                  2.463           86.430   77.759

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     84    1.02    90.698    95.920     7.510

LGA_LOCAL      RMSD:   1.019  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.521  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.484  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.106300 * X  +  -0.470715 * Y  +  -0.875858 * Z  + -159.769638
  Y_new =  -0.723888 * X  +  -0.567243 * Y  +   0.392710 * Z  + -194.330658
  Z_new =  -0.681679 * X  +   0.675769 * Y  +  -0.280447 * Z  + 147.533279 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.716600  0.750055  1.964171   [DEG:  -98.3539   42.9750  112.5387 ]
ZXZ: -1.992296  1.855057 -0.789752   [DEG: -114.1501  106.2869  -45.2495 ]
 
# END of job
