
#######################################################
#                                                     #
#                        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        2.28     2.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        1.56     2.30
  LCS_AVERAGE:     97.82

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       3_A - 88_A        0.96     2.32
  LONGEST_CONTINUOUS_SEGMENT:    86       4_A - 89_A        0.86     2.38
  LCS_AVERAGE:     94.56

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      4    4   89      3    4    6    7    7    7    8    8   10   11   14   15   22   26   29   30   31   54   65   89 
LCS_GDT     S     2_A     S     2_A      4   88   89      3    4    6    7    7    8   10   21   31   72   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A     3_A     A     3_A     86   88   89      3    4    6    7    7    8   10   29   81   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     D     4_A     D     4_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     L     5_A     L     5_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A     6_A     A     6_A     86   88   89     65   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     H     7_A     H     7_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G     8_A     G     8_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G     9_A     G     9_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Q    10_A     Q    10_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     V    11_A     V    11_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     F    12_A     F    12_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     S    13_A     S    13_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    14_A     A    14_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     N    15_A     N    15_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     C    16_A     C    16_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    17_A     A    17_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    18_A     A    18_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     C    19_A     C    19_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     H    20_A     H    20_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     L    21_A     L    21_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    22_A     G    22_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    23_A     G    23_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     R    24_A     R    24_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     N    25_A     N    25_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     V    26_A     V    26_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     V    27_A     V    27_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     N    28_A     N    28_A     86   88   89      6   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     P    29_A     P    29_A     86   88   89     67   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    30_A     A    30_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     K    31_A     K    31_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     T    32_A     T    32_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     L    33_A     L    33_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Q    34_A     Q    34_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     K    35_A     K    35_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    36_A     A    36_A     86   88   89     65   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     D    37_A     D    37_A     86   88   89     66   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     L    38_A     L    38_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     D    39_A     D    39_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Q    40_A     Q    40_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Y    41_A     Y    41_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    42_A     G    42_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     M    43_A     M    43_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    44_A     A    44_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     S    45_A     S    45_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     I    46_A     I    46_A     86   88   89     61   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     E    47_A     E    47_A     86   88   89     32   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    48_A     A    48_A     86   88   89     67   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     I    49_A     I    49_A     86   88   89     67   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     T    50_A     T    50_A     86   88   89     67   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     T    51_A     T    51_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Q    52_A     Q    52_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     V    53_A     V    53_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     T    54_A     T    54_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     N    55_A     N    55_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    56_A     G    56_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     K    57_A     K    57_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    58_A     G    58_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    59_A     A    59_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     M    60_A     M    60_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     P    61_A     P    61_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    62_A     A    62_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     F    63_A     F    63_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    64_A     G    64_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     S    65_A     S    65_A     86   88   89     27   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     K    66_A     K    66_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     L    67_A     L    67_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     S    68_A     S    68_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    69_A     A    69_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     D    70_A     D    70_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     D    71_A     D    71_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     I    72_A     I    72_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    73_A     A    73_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     D    74_A     D    74_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     V    75_A     V    75_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     A    76_A     A    76_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     S    77_A     S    77_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Y    78_A     Y    78_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     V    79_A     V    79_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     L    80_A     L    80_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     D    81_A     D    81_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Q    82_A     Q    82_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     S    83_A     S    83_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     E    84_A     E    84_A     86   88   89     49   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     K    85_A     K    85_A     86   88   89      6   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    86_A     G    86_A     86   88   89     68   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     W    87_A     W    87_A     86   88   89     65   83   84   84   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     Q    88_A     Q    88_A     86   88   89      3    4    5   70   85   85   85   86   86   86   86   87   87   87   88   88   88   88   88   89 
LCS_GDT     G    89_A     G    89_A     86   88   89      3    4    5    6    8   11   13   86   86   86   86   86   87   87   88   88   88   88   88   89 
LCS_AVERAGE  LCS_A:  97.46  (  94.56   97.82  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     68     83     84     84     85     85     85     86     86     86     86     87     87     87     88     88     88     88     88     89 
GDT PERCENT_AT  76.40  93.26  94.38  94.38  95.51  95.51  95.51  96.63  96.63  96.63  96.63  97.75  97.75  97.75  98.88  98.88  98.88  98.88  98.88 100.00
GDT RMS_LOCAL    0.29   0.39   0.41   0.41   0.56   0.56   0.56   0.86   0.86   0.86   0.86   1.41   1.16   1.16   1.56   1.56   1.56   1.56   1.56   2.28
GDT RMS_ALL_AT   2.34   2.35   2.34   2.34   2.35   2.35   2.35   2.38   2.38   2.38   2.38   2.29   2.34   2.34   2.30   2.30   2.30   2.30   2.30   2.28

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  F    63_A      F    63_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    16.705     0    0.332   0.332    17.428    0.000    0.000
LGA    S     2_A      S     2_A    10.196     0    0.066   0.086    12.691    0.357    1.508
LGA    A     3_A      A     3_A     7.445     0    0.441   0.413     8.695   16.190   13.524
LGA    D     4_A      D     4_A     0.505     0    0.588   0.818     5.879   86.905   61.429
LGA    L     5_A      L     5_A     0.377     0    0.050   1.420     3.571  100.000   81.310
LGA    A     6_A      A     6_A     0.532     0    0.045   0.048     0.927   97.619   96.190
LGA    H     7_A      H     7_A     0.293     0    0.026   1.116     2.620  100.000   87.571
LGA    G     8_A      G     8_A     0.228     0    0.031   0.031     0.261  100.000  100.000
LGA    G     9_A      G     9_A     0.265     0    0.033   0.033     0.288  100.000  100.000
LGA    Q    10_A      Q    10_A     0.219     0    0.035   1.143     4.234  100.000   83.122
LGA    V    11_A      V    11_A     0.404     0    0.027   0.803     2.244  100.000   89.728
LGA    F    12_A      F    12_A     0.263     0    0.021   0.069     0.387  100.000  100.000
LGA    S    13_A      S    13_A     0.287     0    0.042   0.066     0.351  100.000  100.000
LGA    A    14_A      A    14_A     0.503     0    0.105   0.107     1.044   90.595   92.476
LGA    N    15_A      N    15_A     0.446     0    0.105   0.149     1.138   92.976   90.595
LGA    C    16_A      C    16_A     0.195     0    0.035   0.155     0.516  100.000   98.413
LGA    A    17_A      A    17_A     0.401     0    0.061   0.058     0.758  100.000   98.095
LGA    A    18_A      A    18_A     0.443     0    0.108   0.106     0.633   97.619   96.190
LGA    C    19_A      C    19_A     0.467     0    0.088   0.106     0.934   95.238   93.651
LGA    H    20_A      H    20_A     0.334     0    0.139   0.207     0.820   97.619   95.238
LGA    L    21_A      L    21_A     0.239     0    0.014   0.938     3.642   97.619   81.071
LGA    G    22_A      G    22_A     0.746     0    0.060   0.060     0.746   90.476   90.476
LGA    G    23_A      G    23_A     0.555     0    0.045   0.045     0.681   90.476   90.476
LGA    R    24_A      R    24_A     0.553     0    0.051   1.079     7.634   92.857   61.515
LGA    N    25_A      N    25_A     0.359     0    0.116   0.868     2.657  100.000   87.738
LGA    V    26_A      V    26_A     0.688     0    0.081   1.131     3.394   90.476   81.020
LGA    V    27_A      V    27_A     0.617     0    0.064   1.052     2.935   90.476   82.041
LGA    N    28_A      N    28_A     0.825     0    0.081   0.919     4.068   90.476   75.476
LGA    P    29_A      P    29_A     0.835     0    0.060   0.136     0.942   90.476   90.476
LGA    A    30_A      A    30_A     0.311     0    0.135   0.135     0.868   97.619   98.095
LGA    K    31_A      K    31_A     0.211     0    0.060   0.983     2.520  100.000   83.492
LGA    T    32_A      T    32_A     0.349     0    0.029   0.067     0.698  100.000   98.639
LGA    L    33_A      L    33_A     0.270     0    0.094   0.811     2.350  100.000   89.821
LGA    Q    34_A      Q    34_A     0.176     0    0.011   0.173     1.451  100.000   93.810
LGA    K    35_A      K    35_A     0.294     0    0.027   0.824     4.196  100.000   81.270
LGA    A    36_A      A    36_A     0.546     0    0.042   0.047     0.605   95.238   94.286
LGA    D    37_A      D    37_A     0.507     0    0.025   0.738     2.179   95.238   86.310
LGA    L    38_A      L    38_A     0.329     0    0.045   0.068     0.627  100.000   98.810
LGA    D    39_A      D    39_A     0.367     0    0.027   0.206     1.159  100.000   94.107
LGA    Q    40_A      Q    40_A     0.224     0    0.031   0.138     1.271  100.000   92.751
LGA    Y    41_A      Y    41_A     0.306     0    0.203   0.349     1.749   97.619   88.413
LGA    G    42_A      G    42_A     0.407     0    0.130   0.130     0.765   97.619   97.619
LGA    M    43_A      M    43_A     0.322     0    0.107   0.187     0.757   97.619   95.238
LGA    A    44_A      A    44_A     0.373     0    0.109   0.111     0.844   92.857   94.286
LGA    S    45_A      S    45_A     0.441     0    0.038   0.577     1.649  100.000   93.889
LGA    I    46_A      I    46_A     0.501     0    0.030   0.664     2.499   92.857   90.833
LGA    E    47_A      E    47_A     0.767     0    0.082   0.969     2.885   92.857   79.153
LGA    A    48_A      A    48_A     0.486     0    0.024   0.040     0.566  100.000   98.095
LGA    I    49_A      I    49_A     0.520     0    0.025   1.021     2.529   97.619   85.476
LGA    T    50_A      T    50_A     0.492     0    0.042   1.034     2.239   97.619   88.367
LGA    T    51_A      T    51_A     0.236     0    0.022   0.982     2.398  100.000   89.932
LGA    Q    52_A      Q    52_A     0.226     0    0.028   1.125     3.893  100.000   82.857
LGA    V    53_A      V    53_A     0.288     0    0.030   0.099     0.628  100.000   98.639
LGA    T    54_A      T    54_A     0.090     0    0.022   1.079     2.614  100.000   90.000
LGA    N    55_A      N    55_A     0.503     0    0.127   1.136     3.027   97.619   86.786
LGA    G    56_A      G    56_A     0.369     0    0.056   0.056     0.508   97.619   97.619
LGA    K    57_A      K    57_A     0.245     0    0.074   0.597     2.668  100.000   87.143
LGA    G    58_A      G    58_A     0.655     0    0.049   0.049     0.655   92.857   92.857
LGA    A    59_A      A    59_A     0.321     0    0.128   0.125     0.687   95.238   94.286
LGA    M    60_A      M    60_A     0.275     0    0.047   0.242     0.924  100.000   98.810
LGA    P    61_A      P    61_A     0.328     0    0.033   0.259     0.697  100.000   98.639
LGA    A    62_A      A    62_A     0.348     0    0.079   0.107     1.066   92.976   92.476
LGA    F    63_A      F    63_A     0.130     0    0.080   0.217     0.527  100.000   99.134
LGA    G    64_A      G    64_A     0.511     0    0.661   0.661     3.069   82.738   82.738
LGA    S    65_A      S    65_A     1.282     0    0.079   0.109     1.655   85.952   83.016
LGA    K    66_A      K    66_A     0.149     0    0.154   0.549     2.053  100.000   93.968
LGA    L    67_A      L    67_A     0.426     0    0.031   0.864     2.161  100.000   90.000
LGA    S    68_A      S    68_A     0.472     0    0.050   0.743     3.017   97.619   88.492
LGA    A    69_A      A    69_A     0.475     0    0.022   0.037     0.607  100.000   98.095
LGA    D    70_A      D    70_A     0.487     0    0.029   0.286     1.617   97.619   91.845
LGA    D    71_A      D    71_A     0.318     0    0.025   0.079     1.039  100.000   94.107
LGA    I    72_A      I    72_A     0.174     0    0.028   0.112     0.600  100.000   98.810
LGA    A    73_A      A    73_A     0.230     0    0.027   0.040     0.294  100.000  100.000
LGA    D    74_A      D    74_A     0.243     0    0.043   1.200     4.397  100.000   83.155
LGA    V    75_A      V    75_A     0.132     0    0.028   0.101     0.414  100.000  100.000
LGA    A    76_A      A    76_A     0.158     0    0.025   0.034     0.367  100.000  100.000
LGA    S    77_A      S    77_A     0.350     0    0.039   0.066     0.426  100.000  100.000
LGA    Y    78_A      Y    78_A     0.306     0    0.039   0.054     0.476  100.000  100.000
LGA    V    79_A      V    79_A     0.239     0    0.030   0.135     0.511  100.000   98.639
LGA    L    80_A      L    80_A     0.160     0    0.028   1.435     3.435  100.000   83.095
LGA    D    81_A      D    81_A     0.295     0    0.030   0.927     2.963  100.000   85.893
LGA    Q    82_A      Q    82_A     0.233     0    0.027   1.057     2.550  100.000   90.265
LGA    S    83_A      S    83_A     0.299     0    0.031   0.596     2.059   95.238   90.952
LGA    E    84_A      E    84_A     0.873     0    0.035   1.039     5.908   88.214   63.175
LGA    K    85_A      K    85_A     1.334     0    0.074   0.896     2.638   81.429   75.079
LGA    G    86_A      G    86_A     0.684     0    0.456   0.456     2.860   79.881   79.881
LGA    W    87_A      W    87_A     0.396     0    0.460   0.480     1.944   86.190   90.646
LGA    Q    88_A      Q    88_A     3.273     0    0.020   1.119     4.934   47.262   43.810
LGA    G    89_A      G    89_A     5.930     0    0.254   0.254     9.640   12.738   12.738

# 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):     2.279          2.265                  2.186           92.072   86.176

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     86    0.86    95.787    96.379     8.949

LGA_LOCAL      RMSD:   0.861  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.375  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   2.279  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.605252 * X  +   0.537305 * Y  +   0.587344 * Z  + -10.935784
  Y_new =  -0.135774 * X  +   0.657346 * Y  +  -0.741257 * Z  +  -4.910345
  Z_new =  -0.784370 * X  +  -0.528393 * Y  +  -0.324908 * Z  +  50.534206 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.920920  0.901679 -2.122099   [DEG: -167.3564   51.6624 -121.5873 ]
ZXZ:  0.670067  1.901711 -2.163620   [DEG:   38.3920  108.9600 -123.9663 ]
 
# END of job
