
#######################################################
#                                                     #
#                        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        0.58     0.58
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.58     0.58
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.58     0.58
  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   34   86   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   29   86   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     34   83   86   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     40   83   86   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     40   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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     62   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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     35   83   86   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     33   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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     61   83   86   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     57   83   86   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     35   83   86   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     35   83   86   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     46   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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     35   83   86   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   83   86   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      7   83   86   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      7   19   86   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     22   83   86   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     46   83   86   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     32   83   86   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     57   83   86   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     57   83   86   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     35   83   86   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     62   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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   83   86   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     62   83   86   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     62   83   86   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     83     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  72.09  96.51 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.47   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58
GDT RMS_ALL_AT   0.62   0.59   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58   0.58

# Checking swapping
#   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    36_B      E    36_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  D    75_B      D    75_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     1.971     0    0.583   0.662    11.299   69.881   39.947
LGA    P     6_B      P     6_B     1.984     0    0.023   0.289     3.562   72.857   64.150
LGA    N     7_B      N     7_B     0.659     0    0.057   0.203     1.402   92.976   90.595
LGA    E     8_B      E     8_B     0.749     0    0.106   0.960     5.214   90.595   65.291
LGA    I     9_B      I     9_B     0.811     0    0.093   0.106     1.167   88.214   89.345
LGA    V    10_B      V    10_B     0.484     0    0.037   0.068     0.798   97.619   95.918
LGA    I    11_B      I    11_B     0.168     0    0.033   0.069     0.463  100.000  100.000
LGA    T    12_B      T    12_B     0.523     0    0.036   0.105     1.011   97.619   93.265
LGA    K    13_B      K    13_B     0.149     0    0.054   0.910     5.872  100.000   74.392
LGA    S    14_B      S    14_B     0.419     0    0.092   0.103     0.698   97.619   96.825
LGA    K    15_B      K    15_B     0.303     0    0.094   0.582     2.239   97.619   90.952
LGA    R    16_B      R    16_B     0.277     0    0.018   0.356     2.953  100.000   85.498
LGA    I    17_B      I    17_B     0.205     0    0.009   0.124     0.442  100.000  100.000
LGA    E    18_B      E    18_B     0.147     0    0.014   0.076     0.606  100.000   96.825
LGA    D    19_B      D    19_B     0.068     0    0.008   0.090     0.455  100.000  100.000
LGA    Y    20_B      Y    20_B     0.213     0    0.017   0.064     0.586  100.000   96.825
LGA    V    21_B      V    21_B     0.134     0    0.014   0.054     0.237  100.000  100.000
LGA    L    22_B      L    22_B     0.177     0    0.021   1.361     3.062  100.000   85.000
LGA    D    23_B      D    23_B     0.134     0    0.027   0.054     0.528  100.000   98.810
LGA    T    24_B      T    24_B     0.265     0    0.006   0.017     0.286  100.000  100.000
LGA    I    25_B      I    25_B     0.299     0    0.034   0.137     0.954  100.000   97.619
LGA    I    26_B      I    26_B     0.286     0    0.012   0.070     0.835  100.000   97.619
LGA    L    27_B      L    27_B     0.199     0    0.018   0.085     0.346  100.000  100.000
LGA    F    28_B      F    28_B     0.366     0    0.008   0.155     0.728   95.238   94.805
LGA    N    29_B      N    29_B     0.628     0    0.036   1.374     4.366   92.857   74.167
LGA    Q    30_B      Q    30_B     0.507     0    0.053   0.070     0.605   92.857   96.825
LGA    G    31_B      G    31_B     0.903     0    0.029   0.029     1.066   88.214   88.214
LGA    Y    32_B      Y    32_B     0.680     0    0.178   0.180     1.294   88.214   90.516
LGA    E    33_B      E    33_B     0.615     0    0.030   0.692     2.696   92.857   80.159
LGA    E    34_B      E    34_B     0.259     0    0.012   0.178     1.466  100.000   91.693
LGA    V    35_B      V    35_B     0.204     0    0.042   0.040     0.327  100.000  100.000
LGA    E    36_B      E    36_B     0.323     0    0.023   0.138     0.781  100.000   96.825
LGA    I    37_B      I    37_B     0.462     0    0.018   0.046     0.618  100.000   97.619
LGA    R    38_B      R    38_B     0.509     0    0.021   0.284     1.598   92.857   87.316
LGA    G    39_B      G    39_B     0.371     0    0.044   0.044     0.426  100.000  100.000
LGA    S    40_B      S    40_B     0.534     0    0.064   0.642     1.945   97.619   92.302
LGA    G    41_B      G    41_B     0.283     0    0.045   0.045     0.418  100.000  100.000
LGA    Q    42_B      Q    42_B     0.148     0    0.032   0.837     2.240  100.000   92.011
LGA    E    43_B      E    43_B     0.179     0    0.034   0.909     3.085  100.000   85.608
LGA    I    44_B      I    44_B     0.141     0    0.020   0.061     0.260  100.000  100.000
LGA    N    45_B      N    45_B     0.205     0    0.028   0.853     3.325  100.000   83.988
LGA    K    46_B      K    46_B     0.246     0    0.007   0.071     0.753  100.000   97.884
LGA    A    47_B      A    47_B     0.166     0    0.006   0.010     0.212  100.000  100.000
LGA    I    48_B      I    48_B     0.193     0    0.031   0.070     0.388  100.000  100.000
LGA    E    49_B      E    49_B     0.451     0    0.011   1.065     4.392  100.000   77.989
LGA    V    50_B      V    50_B     0.291     0    0.017   0.041     0.349  100.000  100.000
LGA    Y    51_B      Y    51_B     0.126     0    0.009   0.056     0.803  100.000   96.032
LGA    N    52_B      N    52_B     0.468     0    0.011   0.047     0.833  100.000   95.238
LGA    Q    53_B      Q    53_B     0.329     0    0.008   0.097     0.602  100.000   98.942
LGA    L    54_B      L    54_B     0.072     0    0.007   0.080     0.346  100.000  100.000
LGA    V    55_B      V    55_B     0.284     0    0.008   0.046     0.567  100.000   98.639
LGA    D    56_B      D    56_B     0.361     0    0.020   0.763     3.042  100.000   83.988
LGA    R    57_B      R    57_B     0.372     0    0.015   1.576     9.505   95.238   55.065
LGA    L    58_B      L    58_B     0.573     0    0.054   0.052     0.693   92.857   91.667
LGA    K    59_B      K    59_B     0.755     0    0.062   1.074     4.557   92.857   73.545
LGA    E    60_B      E    60_B     0.804     0    0.100   0.865     2.925   90.476   81.958
LGA    G    61_B      G    61_B     0.681     0    0.051   0.051     0.736   95.238   95.238
LGA    V    62_B      V    62_B     0.384     0    0.025   0.056     0.523   97.619   98.639
LGA    R    63_B      R    63_B     0.178     0    0.031   1.136     5.651  100.000   80.606
LGA    L    64_B      L    64_B     0.146     0    0.047   0.099     0.527  100.000   98.810
LGA    E    65_B      E    65_B     0.237     0    0.063   1.096     4.436  100.000   79.577
LGA    K    66_B      K    66_B     0.278     0    0.039   0.886     4.237  100.000   85.185
LGA    V    67_B      V    67_B     0.494     0    0.034   0.043     0.632   95.238   95.918
LGA    D    68_B      D    68_B     0.737     0    0.051   0.043     0.883   90.476   90.476
LGA    I    69_B      I    69_B     0.551     0    0.038   0.051     0.830   90.476   90.476
LGA    G    70_B      G    70_B     0.973     0    0.030   0.030     0.973   90.476   90.476
LGA    S    71_B      S    71_B     0.320     0    0.021   0.038     0.882   95.238   95.238
LGA    E    72_B      E    72_B     0.966     0    0.052   0.388     2.579   92.857   83.862
LGA    V    73_B      V    73_B     1.359     0    0.048   0.067     2.026   77.262   75.374
LGA    K    74_B      K    74_B     0.947     0    0.026   0.873     2.974   92.857   80.952
LGA    D    75_B      D    75_B     0.621     0    0.023   0.059     0.718   92.857   91.667
LGA    R    76_B      R    76_B     0.893     0    0.018   1.035     2.904   90.476   80.996
LGA    R    77_B      R    77_B     0.565     0    0.020   0.766     3.079   92.857   86.926
LGA    R    78_B      R    78_B     0.529     0    0.054   0.632     4.253   90.476   72.900
LGA    I    79_B      I    79_B     0.910     0    0.107   1.101     2.759   90.476   78.750
LGA    S    80_B      S    80_B     0.640     0    0.018   0.030     1.067   95.238   92.143
LGA    Y    81_B      Y    81_B     0.523     0    0.021   0.066     1.357   90.476   88.214
LGA    I    82_B      I    82_B     0.300     0    0.031   0.123     0.478  100.000  100.000
LGA    L    83_B      L    83_B     0.357     0    0.057   0.054     0.709  100.000   96.429
LGA    L    84_B      L    84_B     0.180     0    0.081   0.151     0.534   97.619   98.810
LGA    R    85_B      R    85_B     0.196     0    0.063   1.341     7.943  100.000   65.065
LGA    L    86_B      L    86_B     0.313     0    0.032   0.103     0.564   97.619   98.810
LGA    K    87_B      K    87_B     0.519     0    0.034   0.255     1.279   95.238   91.640
LGA    R    88_B      R    88_B     0.633     0    0.016   1.200     6.136   90.476   68.615
LGA    I    89_B      I    89_B     0.357     0    0.040   0.133     1.008  100.000   97.679
LGA    Y    90_B      Y    90_B     0.552     0    0.110   0.204     2.368   92.857   82.460

# 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):     0.577          0.593                  1.581           95.948   89.463

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.58    99.128    99.725    12.703

LGA_LOCAL      RMSD:   0.577  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.577  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.577  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.202690 * X  +  -0.681409 * Y  +   0.703277 * Z  +   9.174143
  Y_new =  -0.975132 * X  +  -0.206187 * Y  +   0.081266 * Z  +  10.354398
  Z_new =   0.089631 * X  +  -0.702260 * Y  +  -0.706256 * Z  +  -2.100522 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.365855 -0.089752 -2.359031   [DEG:  -78.2577   -5.1424 -135.1625 ]
ZXZ:  1.685839  2.354992  3.014646   [DEG:   96.5915  134.9311  172.7265 ]
 
# END of job
