
#######################################################
#                                                     #
#                        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   89 (  636),  selected   89 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   89 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        2.26     2.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        1.66     2.28
  LCS_AVERAGE:     97.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       3_A - 88_A        0.96     2.31
  LONGEST_CONTINUOUS_SEGMENT:    86       4_A - 89_A        0.88     2.37
  LCS_AVERAGE:     94.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     G     1_A     G     1_A      3    5   89      3    3    5    6    7   11   13   15   15   19   20   23   27   33   40   64   85   89   89   89 
LCS_GDT     S     2_A     S     2_A      3   88   89      3    3    5    6    7   12   13   18   19   22   48   83   87   87   88   88   88   89   89   89 
LCS_GDT     A     3_A     A     3_A     86   88   89      3    3    5    7   12   39   58   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     D     4_A     D     4_A     86   88   89     37   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     L     5_A     L     5_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A     6_A     A     6_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     H     7_A     H     7_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G     8_A     G     8_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G     9_A     G     9_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     V    11_A     V    11_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     F    12_A     F    12_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     S    13_A     S    13_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    14_A     A    14_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     N    15_A     N    15_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     C    16_A     C    16_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    17_A     A    17_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    18_A     A    18_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     C    19_A     C    19_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     H    20_A     H    20_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     L    21_A     L    21_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    22_A     G    22_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    23_A     G    23_A     86   88   89     57   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     R    24_A     R    24_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     N    25_A     N    25_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     V    26_A     V    26_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     V    27_A     V    27_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     N    28_A     N    28_A     86   88   89     69   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     P    29_A     P    29_A     86   88   89     72   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    30_A     A    30_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     K    31_A     K    31_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     T    32_A     T    32_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     L    33_A     L    33_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     K    35_A     K    35_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    36_A     A    36_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     D    37_A     D    37_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     L    38_A     L    38_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     D    39_A     D    39_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    42_A     G    42_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     M    43_A     M    43_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    44_A     A    44_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     S    45_A     S    45_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     I    46_A     I    46_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     E    47_A     E    47_A     86   88   89     69   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    48_A     A    48_A     86   88   89     69   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     I    49_A     I    49_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     T    50_A     T    50_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     T    51_A     T    51_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     V    53_A     V    53_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     T    54_A     T    54_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     N    55_A     N    55_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    56_A     G    56_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     K    57_A     K    57_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    58_A     G    58_A     86   88   89     70   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    59_A     A    59_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     M    60_A     M    60_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     P    61_A     P    61_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    62_A     A    62_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     F    63_A     F    63_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    64_A     G    64_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     S    65_A     S    65_A     86   88   89     37   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     K    66_A     K    66_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     L    67_A     L    67_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     S    68_A     S    68_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    69_A     A    69_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     D    70_A     D    70_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     D    71_A     D    71_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     I    72_A     I    72_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    73_A     A    73_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     D    74_A     D    74_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     V    75_A     V    75_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     A    76_A     A    76_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     S    77_A     S    77_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     V    79_A     V    79_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     L    80_A     L    80_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     D    81_A     D    81_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     S    83_A     S    83_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     E    84_A     E    84_A     86   88   89     21   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     K    85_A     K    85_A     86   88   89      8   81   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    86_A     G    86_A     86   88   89     53   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     W    87_A     W    87_A     86   88   89     73   83   84   84   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     86   88   89      3   13   57   82   85   85   85   86   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_GDT     G    89_A     G    89_A     86   88   89      3    3    4    4    4   19   57   77   86   86   86   86   87   87   88   88   88   89   89   89 
LCS_AVERAGE  LCS_A:  97.45  (  94.53   97.83  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     73     83     84     84     85     85     85     86     86     86     86     86     87     87     88     88     88     89     89     89 
GDT PERCENT_AT  82.02  93.26  94.38  94.38  95.51  95.51  95.51  96.63  96.63  96.63  96.63  96.63  97.75  97.75  98.88  98.88  98.88 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.38   0.40   0.40   0.53   0.53   0.53   0.96   0.96   0.88   0.88   0.88   1.19   1.19   1.66   1.66   1.66   2.26   2.26   2.26
GDT RMS_ALL_AT   2.35   2.35   2.35   2.35   2.35   2.35   2.35   2.31   2.31   2.37   2.37   2.37   2.33   2.33   2.28   2.28   2.28   2.26   2.26   2.26

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.171     0    0.260   0.260    17.547    0.000    0.000
LGA    S     2_A      S     2_A    10.990     0    0.097   0.602    12.425    0.238    0.952
LGA    A     3_A      A     3_A     7.298     0    0.469   0.488     8.571   16.429   14.095
LGA    D     4_A      D     4_A     0.692     0    0.593   1.238     6.505   86.905   62.500
LGA    L     5_A      L     5_A     0.507     0    0.037   1.024     2.984   95.238   84.524
LGA    A     6_A      A     6_A     0.671     0    0.037   0.045     0.957   95.238   94.286
LGA    H     7_A      H     7_A     0.364     0    0.025   0.295     0.911  100.000   97.143
LGA    G     8_A      G     8_A     0.134     0    0.038   0.038     0.171  100.000  100.000
LGA    G     9_A      G     9_A     0.277     0    0.035   0.035     0.277  100.000  100.000
LGA    Q    10_A      Q    10_A     0.138     0    0.031   0.827     3.392  100.000   83.598
LGA    V    11_A      V    11_A     0.072     0    0.024   0.075     0.223  100.000  100.000
LGA    F    12_A      F    12_A     0.069     0    0.023   0.093     0.292  100.000  100.000
LGA    S    13_A      S    13_A     0.165     0    0.032   0.675     2.469  100.000   94.127
LGA    A    14_A      A    14_A     0.313     0    0.072   0.071     0.393  100.000  100.000
LGA    N    15_A      N    15_A     0.366     0    0.015   0.958     3.387   97.619   87.857
LGA    C    16_A      C    16_A     0.216     0    0.020   0.155     0.508  100.000   98.413
LGA    A    17_A      A    17_A     0.377     0    0.104   0.098     0.750  100.000   98.095
LGA    A    18_A      A    18_A     0.182     0    0.100   0.097     0.644   97.619   98.095
LGA    C    19_A      C    19_A     0.209     0    0.092   0.816     3.109   97.619   90.079
LGA    H    20_A      H    20_A     0.249     0    0.133   0.235     0.498  100.000  100.000
LGA    L    21_A      L    21_A     0.227     0    0.012   1.370     3.815  100.000   83.155
LGA    G    22_A      G    22_A     0.331     0    0.729   0.729     3.187   85.119   85.119
LGA    G    23_A      G    23_A     0.565     0    0.101   0.101     1.021   90.595   90.595
LGA    R    24_A      R    24_A     0.173     0    0.039   0.971     6.308   97.619   71.299
LGA    N    25_A      N    25_A     0.400     0    0.109   0.867     2.831  100.000   88.810
LGA    V    26_A      V    26_A     0.397     0    0.060   1.132     3.136  100.000   86.463
LGA    V    27_A      V    27_A     0.384     0    0.088   1.112     2.826  100.000   87.755
LGA    N    28_A      N    28_A     0.612     0    0.069   1.259     3.663   92.857   82.381
LGA    P    29_A      P    29_A     0.601     0    0.049   0.146     0.920   90.476   90.476
LGA    A    30_A      A    30_A     0.489     0    0.142   0.141     1.183   92.976   94.381
LGA    K    31_A      K    31_A     0.242     0    0.064   0.169     1.439  100.000   93.757
LGA    T    32_A      T    32_A     0.215     0    0.027   0.956     2.337  100.000   91.088
LGA    L    33_A      L    33_A     0.197     0    0.071   0.226     0.735  100.000   96.429
LGA    Q    34_A      Q    34_A     0.258     0    0.012   1.370     4.625  100.000   80.635
LGA    K    35_A      K    35_A     0.292     0    0.030   0.832     2.181  100.000   90.053
LGA    A    36_A      A    36_A     0.355     0    0.046   0.046     0.383  100.000  100.000
LGA    D    37_A      D    37_A     0.352     0    0.026   0.801     2.575  100.000   87.857
LGA    L    38_A      L    38_A     0.363     0    0.033   1.073     2.299   97.619   88.810
LGA    D    39_A      D    39_A     0.525     0    0.026   0.928     4.089   92.857   76.667
LGA    Q    40_A      Q    40_A     0.458     0    0.031   1.255     5.042  100.000   77.407
LGA    Y    41_A      Y    41_A     0.378     0    0.183   0.532     2.284   97.619   87.937
LGA    G    42_A      G    42_A     0.404     0    0.111   0.111     0.404  100.000  100.000
LGA    M    43_A      M    43_A     0.381     0    0.104   0.743     1.815   92.857   87.262
LGA    A    44_A      A    44_A     0.624     0    0.133   0.132     1.398   88.214   90.571
LGA    S    45_A      S    45_A     0.674     0    0.041   0.070     0.817   92.857   92.063
LGA    I    46_A      I    46_A     0.678     0    0.038   0.930     2.610   90.476   79.881
LGA    E    47_A      E    47_A     0.710     0    0.043   1.036     2.951   92.857   82.011
LGA    A    48_A      A    48_A     0.650     0    0.021   0.036     0.707   90.476   90.476
LGA    I    49_A      I    49_A     0.609     0    0.014   0.085     0.646   92.857   92.857
LGA    T    50_A      T    50_A     0.443     0    0.036   0.064     0.816   97.619   94.558
LGA    T    51_A      T    51_A     0.260     0    0.017   0.954     2.477  100.000   91.088
LGA    Q    52_A      Q    52_A     0.236     0    0.048   0.660     2.083  100.000   91.005
LGA    V    53_A      V    53_A     0.267     0    0.032   0.103     0.676  100.000   98.639
LGA    T    54_A      T    54_A     0.096     0    0.027   0.927     2.206  100.000   91.088
LGA    N    55_A      N    55_A     0.375     0    0.097   0.238     1.003  100.000   96.488
LGA    G    56_A      G    56_A     0.279     0    0.047   0.047     0.431  100.000  100.000
LGA    K    57_A      K    57_A     0.121     0    0.039   0.711     2.321  100.000   90.053
LGA    G    58_A      G    58_A     0.581     0    0.031   0.031     0.581   97.619   97.619
LGA    A    59_A      A    59_A     0.200     0    0.136   0.134     0.650   97.619   98.095
LGA    M    60_A      M    60_A     0.248     0    0.026   0.276     1.164  100.000   96.488
LGA    P    61_A      P    61_A     0.220     0    0.043   0.096     0.580  100.000   98.639
LGA    A    62_A      A    62_A     0.338     0    0.073   0.099     0.958   95.238   96.190
LGA    F    63_A      F    63_A     0.246     0    0.103   0.148     0.959  100.000   93.939
LGA    G    64_A      G    64_A     0.265     0    0.081   0.081     0.834   97.619   97.619
LGA    S    65_A      S    65_A     0.688     0    0.154   0.666     3.562   95.238   84.286
LGA    K    66_A      K    66_A     0.459     0    0.137   0.704     2.938   97.619   79.894
LGA    L    67_A      L    67_A     0.473     0    0.012   0.074     0.603   92.857   96.429
LGA    S    68_A      S    68_A     0.495     0    0.050   0.059     0.580   97.619   95.238
LGA    A    69_A      A    69_A     0.192     0    0.030   0.039     0.250  100.000  100.000
LGA    D    70_A      D    70_A     0.210     0    0.027   0.952     4.127  100.000   79.702
LGA    D    71_A      D    71_A     0.199     0    0.024   0.089     0.622  100.000   97.619
LGA    I    72_A      I    72_A     0.192     0    0.021   0.091     0.630  100.000   98.810
LGA    A    73_A      A    73_A     0.209     0    0.023   0.043     0.285  100.000  100.000
LGA    D    74_A      D    74_A     0.233     0    0.022   0.050     0.323  100.000  100.000
LGA    V    75_A      V    75_A     0.179     0    0.029   0.087     0.556  100.000   98.639
LGA    A    76_A      A    76_A     0.178     0    0.019   0.034     0.286  100.000  100.000
LGA    S    77_A      S    77_A     0.355     0    0.027   0.064     0.390  100.000  100.000
LGA    Y    78_A      Y    78_A     0.190     0    0.032   0.162     0.466  100.000  100.000
LGA    V    79_A      V    79_A     0.240     0    0.043   1.137     2.433  100.000   89.932
LGA    L    80_A      L    80_A     0.315     0    0.015   1.417     3.315  100.000   85.000
LGA    D    81_A      D    81_A     0.270     0    0.029   0.837     3.179  100.000   85.952
LGA    Q    82_A      Q    82_A     0.193     0    0.030   1.059     5.656  100.000   75.503
LGA    S    83_A      S    83_A     0.351     0    0.039   0.086     0.841  100.000   96.825
LGA    E    84_A      E    84_A     0.996     0    0.034   0.727     3.830   85.952   66.508
LGA    K    85_A      K    85_A     1.287     0    0.083   0.161     4.045   81.429   67.513
LGA    G    86_A      G    86_A     0.891     0    0.475   0.475     3.142   78.095   78.095
LGA    W    87_A      W    87_A     0.473     0    0.549   0.450     1.952   88.452   93.299
LGA    Q    88_A      Q    88_A     3.249     0    0.052   1.229     6.674   40.000   34.021
LGA    G    89_A      G    89_A     6.802     0    0.047   0.047    10.309   10.595   10.595

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     636    636  100.00                89
SUMMARY(RMSD_GDC):     2.256          2.304                  2.252           92.346   86.464

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     86    0.96    95.787    96.357     8.122

LGA_LOCAL      RMSD:   0.959  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.313  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   2.256  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.291453 * X  +  -0.339380 * Y  +  -0.894358 * Z  +  35.040462
  Y_new =   0.358658 * X  +   0.827976 * Y  +  -0.431069 * Z  +  -4.050869
  Z_new =   0.886803 * X  +  -0.446405 * Y  +  -0.119594 * Z  + -51.453465 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.253185 -1.090381 -1.832555   [DEG:  129.0980  -62.4742 -104.9977 ]
ZXZ: -1.121663  1.690678  2.037150   [DEG:  -64.2665   96.8687  116.7201 ]
 
# END of job
