
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , 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:    87       1_A - 87_A        2.00     2.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.32     2.03
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.55     2.12
  LCS_AVERAGE:     94.41

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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   87      3    3    4    5    5    6    7    7    9   10   13   18   20   22   54   72   74   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5   12   36   42   74   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     82   86   87      3    4    4    5    5    6   15   43   68   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     84   86   87     54   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     84   86   87     51   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     84   86   87     54   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     84   86   87     54   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     84   86   87     53   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     84   86   87     18   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     84   86   87     51   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     84   86   87     16   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     84   86   87     48   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     84   86   87     52   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     84   86   87     28   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     84   86   87     28   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     84   86   87     22   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     84   86   87     22   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     84   86   87     52   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     84   86   87     22   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     84   86   87     12   71   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     84   86   87      3   70   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     84   86   87     38   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     84   86   87     27   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     84   86   87     53   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     84   86   87     53   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     84   86   87     53   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     84   86   87     53   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     84   86   87     53   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     84   86   87     23   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     84   86   87      5   17   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     84   86   87     32   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     84   86   87     56   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  97.39  (  94.41   97.77  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     56     81     84     84     84     84     84     84     85     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  64.37  93.10  96.55  96.55  96.55  96.55  96.55  96.55  97.70  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.55   0.55   0.55   0.55   0.55   0.55   1.06   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   2.00   2.00   2.00
GDT RMS_ALL_AT   2.10   2.11   2.12   2.12   2.12   2.12   2.12   2.12   2.05   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.00   2.00   2.00

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_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    15.095     0    0.119   0.119    17.269    0.000    0.000
LGA    S     2_A      S     2_A     8.618     0    0.090   0.197    10.684    2.619    7.460
LGA    A     3_A      A     3_A     7.894     0    0.661   0.620     9.393   15.476   12.667
LGA    D     4_A      D     4_A     0.858     0    0.598   1.374     5.044   80.357   62.381
LGA    L     5_A      L     5_A     0.778     0    0.046   0.931     2.775   90.476   84.107
LGA    A     6_A      A     6_A     0.741     0    0.049   0.049     0.948   90.476   90.476
LGA    H     7_A      H     7_A     0.409     0    0.038   0.534     1.659   97.619   91.619
LGA    G     8_A      G     8_A     0.212     0    0.033   0.033     0.236  100.000  100.000
LGA    K     9_A      K     9_A     0.170     0    0.033   0.835     4.460  100.000   78.201
LGA    A    10_A      A    10_A     0.389     0    0.036   0.042     0.671  100.000   98.095
LGA    I    11_A      I    11_A     0.315     0    0.028   0.125     1.166  100.000   94.107
LGA    F    12_A      F    12_A     0.178     0    0.028   0.097     0.305  100.000  100.000
LGA    A    13_A      A    13_A     0.141     0    0.048   0.049     0.160  100.000  100.000
LGA    G    14_A      G    14_A     0.239     0    0.054   0.054     0.351  100.000  100.000
LGA    N    15_A      N    15_A     0.291     0    0.025   0.078     0.948   97.619   95.238
LGA    C    16_A      C    16_A     0.177     0    0.035   0.158     0.642  100.000   98.413
LGA    A    17_A      A    17_A     0.270     0    0.060   0.056     0.609  100.000   98.095
LGA    A    18_A      A    18_A     0.324     0    0.049   0.048     0.657  100.000   98.095
LGA    C    19_A      C    19_A     0.421     0    0.105   0.127     0.923   97.619   95.238
LGA    H    20_A      H    20_A     0.324     0    0.235   0.222     0.868   97.619   93.333
LGA    N    21_A      N    21_A     0.624     0    0.031   0.913     3.198   95.238   80.298
LGA    G    22_A      G    22_A     0.537     0    0.111   0.111     0.537   97.619   97.619
LGA    G    23_A      G    23_A     0.297     0    0.044   0.044     0.358  100.000  100.000
LGA    L    24_A      L    24_A     0.144     0    0.062   1.170     4.075  100.000   79.881
LGA    N    25_A      N    25_A     0.340     0    0.028   0.180     0.761  100.000   98.810
LGA    A    26_A      A    26_A     0.408     0    0.025   0.049     0.557   97.619   98.095
LGA    I    27_A      I    27_A     0.715     0    0.032   1.158     3.281   90.476   77.083
LGA    N    28_A      N    28_A     0.376     0    0.039   0.107     0.805   97.619   97.619
LGA    P    29_A      P    29_A     0.469     0    0.104   0.312     1.109   95.238   91.905
LGA    S    30_A      S    30_A     0.672     0    0.158   0.217     1.556   88.452   89.127
LGA    K    31_A      K    31_A     0.503     0    0.121   0.981     3.451   97.619   88.148
LGA    T    32_A      T    32_A     0.294     0    0.031   0.058     0.490  100.000  100.000
LGA    L    33_A      L    33_A     0.200     0    0.098   0.144     0.711  100.000   97.619
LGA    K    34_A      K    34_A     0.187     0    0.040   0.754     4.634  100.000   76.931
LGA    M    35_A      M    35_A     0.373     0    0.033   0.099     1.320  100.000   94.107
LGA    A    36_A      A    36_A     0.227     0    0.050   0.050     0.283  100.000  100.000
LGA    D    37_A      D    37_A     0.247     0    0.024   0.297     1.147  100.000   97.679
LGA    L    38_A      L    38_A     0.252     0    0.031   0.106     0.551  100.000   98.810
LGA    E    39_A      E    39_A     0.264     0    0.023   0.144     0.461  100.000  100.000
LGA    A    40_A      A    40_A     0.366     0    0.107   0.106     0.627   97.619   96.190
LGA    N    41_A      N    41_A     0.640     0    0.144   0.139     1.601   97.619   89.583
LGA    G    42_A      G    42_A     0.359     0    0.072   0.072     0.475  100.000  100.000
LGA    K    43_A      K    43_A     0.102     0    0.060   0.714     1.860  100.000   90.847
LGA    N    44_A      N    44_A     0.359     0    0.067   1.231     4.337  100.000   83.333
LGA    S    45_A      S    45_A     0.453     0    0.038   0.539     1.550  100.000   93.889
LGA    V    46_A      V    46_A     0.438     0    0.038   0.118     0.649  100.000   97.279
LGA    A    47_A      A    47_A     0.444     0    0.032   0.041     0.546  100.000   98.095
LGA    A    48_A      A    48_A     0.328     0    0.055   0.056     0.389  100.000  100.000
LGA    I    49_A      I    49_A     0.303     0    0.042   0.612     1.973  100.000   95.417
LGA    V    50_A      V    50_A     0.328     0    0.031   0.114     0.670  100.000   98.639
LGA    A    51_A      A    51_A     0.390     0    0.038   0.039     0.659   97.619   98.095
LGA    Q    52_A      Q    52_A     0.592     0    0.025   1.207     3.031   97.619   83.439
LGA    I    53_A      I    53_A     0.309     0    0.039   0.158     0.910  100.000   96.429
LGA    T    54_A      T    54_A     0.602     0    0.035   0.053     0.864   92.857   91.837
LGA    N    55_A      N    55_A     0.806     0    0.043   0.127     1.076   88.214   89.345
LGA    G    56_A      G    56_A     0.758     0    0.090   0.090     0.800   90.476   90.476
LGA    N    57_A      N    57_A     0.775     0    0.018   0.958     4.064   90.476   75.536
LGA    G    58_A      G    58_A     0.915     0    0.028   0.028     0.915   90.476   90.476
LGA    A    59_A      A    59_A     0.605     0    0.167   0.167     0.952   90.476   90.476
LGA    M    60_A      M    60_A     0.422     0    0.035   0.179     1.049  100.000   96.488
LGA    P    61_A      P    61_A     0.494     0    0.037   0.206     0.535   97.619   98.639
LGA    G    62_A      G    62_A     0.415     0    0.089   0.089     0.600   95.238   95.238
LGA    F    63_A      F    63_A     0.825     0    0.134   0.382     1.194   90.476   91.429
LGA    K    64_A      K    64_A     1.191     0    0.625   0.862     5.470   75.833   65.820
LGA    G    65_A      G    65_A     1.690     0    0.182   0.182     1.690   79.405   79.405
LGA    R    66_A      R    66_A     0.910     0    0.135   1.688     7.717   90.595   56.061
LGA    I    67_A      I    67_A     0.696     0    0.130   0.243     2.161   92.857   82.976
LGA    S    68_A      S    68_A     0.476     0    0.054   0.699     2.323   95.238   90.952
LGA    D    69_A      D    69_A     0.526     0    0.040   0.371     1.937   92.857   90.655
LGA    S    70_A      S    70_A     0.559     0    0.049   0.740     1.974   90.476   87.540
LGA    D    71_A      D    71_A     0.554     0    0.043   0.085     0.792   95.238   92.857
LGA    M    72_A      M    72_A     0.519     0    0.037   0.866     2.468   95.238   88.571
LGA    E    73_A      E    73_A     0.586     0    0.030   0.841     1.873   90.476   85.556
LGA    D    74_A      D    74_A     0.395     0    0.026   0.098     0.491  100.000  100.000
LGA    V    75_A      V    75_A     0.304     0    0.023   1.096     2.465  100.000   89.932
LGA    A    76_A      A    76_A     0.290     0    0.034   0.038     0.306  100.000  100.000
LGA    A    77_A      A    77_A     0.349     0    0.035   0.044     0.410  100.000  100.000
LGA    Y    78_A      Y    78_A     0.300     0    0.030   0.071     0.394  100.000  100.000
LGA    V    79_A      V    79_A     0.169     0    0.026   1.179     2.615  100.000   88.844
LGA    L    80_A      L    80_A     0.150     0    0.029   0.892     2.188  100.000   91.190
LGA    D    81_A      D    81_A     0.268     0    0.036   0.510     1.106  100.000   95.357
LGA    Q    82_A      Q    82_A     0.218     0    0.036   0.270     0.947  100.000   98.942
LGA    A    83_A      A    83_A     0.154     0    0.040   0.055     0.445  100.000  100.000
LGA    E    84_A      E    84_A     0.871     0    0.043   0.842     1.765   85.952   80.582
LGA    K    85_A      K    85_A     1.470     0    0.132   1.191     3.751   81.429   74.497
LGA    G    86_A      G    86_A     0.922     0    0.498   0.498     3.210   78.095   78.095
LGA    W    87_A      W    87_A     0.487     0    0.659   0.473     1.939   90.833   97.381

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     2.000          1.980                  1.958           92.886   88.594

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.55    96.264    97.208    12.946

LGA_LOCAL      RMSD:   0.549  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.117  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.000  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.440396 * X  +   0.073323 * Y  +  -0.894805 * Z  +  72.258156
  Y_new =  -0.897682 * X  +  -0.019523 * Y  +   0.440212 * Z  +  58.918221
  Z_new =   0.014808 * X  +   0.997117 * Y  +   0.074418 * Z  + 108.559624 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.026890 -0.014808  1.496301   [DEG: -116.1322   -0.8485   85.7317 ]
ZXZ: -2.027995  1.496309  0.014850   [DEG: -116.1955   85.7322    0.8508 ]
 
# END of job
