
#######################################################
#                                                     #
#                        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        1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.96     2.06
  LCS_AVERAGE:     95.56

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   87   87      3    3    4    5    5    5    7    7    8   10   12   14   28   32   34   72   84   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   87   87      3    3    4    5    5   29   45   72   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    3    4    5    5    5   14   31   79   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     55   80   83   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     85   87   87     67   80   83   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     85   87   87     57   80   83   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     85   87   87     67   80   83   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     85   87   87     34   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     55   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     64   80   83   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     85   87   87     65   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     58   80   83   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     85   87   87     32   77   83   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     85   87   87     42   80   83   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     85   87   87     58   80   83   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     85   87   87     58   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     50   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     62   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     67   80   83   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     85   87   87     55   80   83   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     85   87   87     30   79   83   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     85   87   87      3   74   83   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     85   87   87      3    4    7   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  98.52  (  95.56  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     67     80     83     84     84     84     84     84     85     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  77.01  91.95  95.40  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    0.31   0.39   0.46   0.52   0.52   0.52   0.52   0.52   1.03   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.99   1.99   1.99
GDT RMS_ALL_AT   2.10   2.09   2.10   2.10   2.10   2.10   2.10   2.10   2.04   2.02   2.02   2.02   2.02   2.02   2.02   2.02   2.02   1.99   1.99   1.99

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.243     0    0.073   0.073    17.451    0.000    0.000
LGA    S     2_A      S     2_A     8.471     0    0.043   0.765    10.803    3.571    8.810
LGA    A     3_A      A     3_A     7.610     0    0.638   0.599     9.216   15.476   12.667
LGA    D     4_A      D     4_A     0.444     0    0.573   1.354     5.737   87.500   65.357
LGA    L     5_A      L     5_A     0.416     0    0.098   0.134     0.440  100.000  100.000
LGA    A     6_A      A     6_A     0.543     0    0.040   0.048     0.613   92.857   92.381
LGA    H     7_A      H     7_A     0.568     0    0.057   1.142     2.391   92.857   83.619
LGA    G     8_A      G     8_A     0.438     0    0.043   0.043     0.553   97.619   97.619
LGA    K     9_A      K     9_A     0.461     0    0.023   0.087     0.730  100.000   96.825
LGA    A    10_A      A    10_A     0.480     0    0.036   0.046     0.515  100.000   98.095
LGA    I    11_A      I    11_A     0.478     0    0.029   0.075     0.600  100.000   96.429
LGA    F    12_A      F    12_A     0.343     0    0.013   0.071     0.440  100.000  100.000
LGA    A    13_A      A    13_A     0.132     0    0.029   0.038     0.228  100.000  100.000
LGA    G    14_A      G    14_A     0.323     0    0.025   0.025     0.341  100.000  100.000
LGA    N    15_A      N    15_A     0.344     0    0.023   0.045     0.453  100.000  100.000
LGA    C    16_A      C    16_A     0.257     0    0.054   0.104     0.502  100.000   98.413
LGA    A    17_A      A    17_A     0.271     0    0.035   0.047     0.414  100.000  100.000
LGA    A    18_A      A    18_A     0.459     0    0.036   0.034     0.710  100.000   98.095
LGA    C    19_A      C    19_A     0.653     0    0.036   0.110     1.017   92.857   90.556
LGA    H    20_A      H    20_A     0.373     0    0.136   0.132     0.577   95.238   98.095
LGA    N    21_A      N    21_A     0.768     0    0.022   0.342     1.579   92.857   86.071
LGA    G    22_A      G    22_A     0.499     0    0.054   0.054     0.570   92.857   92.857
LGA    G    23_A      G    23_A     0.666     0    0.073   0.073     0.666   95.238   95.238
LGA    L    24_A      L    24_A     0.283     0    0.081   0.131     0.673  100.000   97.619
LGA    N    25_A      N    25_A     0.302     0    0.018   0.083     0.371  100.000  100.000
LGA    A    26_A      A    26_A     0.267     0    0.148   0.150     0.666   97.619   96.190
LGA    I    27_A      I    27_A     0.487     0    0.026   0.617     2.050  100.000   92.024
LGA    N    28_A      N    28_A     0.580     0    0.027   0.098     1.085   92.857   90.536
LGA    P    29_A      P    29_A     0.599     0    0.012   0.043     0.699   90.476   90.476
LGA    S    30_A      S    30_A     0.697     0    0.092   0.651     3.303   90.476   83.730
LGA    K    31_A      K    31_A     0.434     0    0.022   0.457     1.632   97.619   89.683
LGA    T    32_A      T    32_A     0.220     0    0.012   0.025     0.323  100.000  100.000
LGA    L    33_A      L    33_A     0.035     0    0.019   0.073     0.232  100.000  100.000
LGA    K    34_A      K    34_A     0.064     0    0.013   0.339     1.910  100.000   94.868
LGA    M    35_A      M    35_A     0.250     0    0.065   0.072     0.379  100.000  100.000
LGA    A    36_A      A    36_A     0.168     0    0.022   0.030     0.219  100.000  100.000
LGA    D    37_A      D    37_A     0.130     0    0.000   0.090     0.268  100.000  100.000
LGA    L    38_A      L    38_A     0.251     0    0.032   0.056     0.385  100.000  100.000
LGA    E    39_A      E    39_A     0.211     0    0.059   1.019     3.101  100.000   81.005
LGA    A    40_A      A    40_A     0.228     0    0.020   0.024     0.369  100.000  100.000
LGA    N    41_A      N    41_A     0.457     0    0.030   0.071     0.612   97.619   96.429
LGA    G    42_A      G    42_A     0.520     0    0.028   0.028     0.622   92.857   92.857
LGA    K    43_A      K    43_A     0.548     0    0.051   0.099     1.367   92.857   90.582
LGA    N    44_A      N    44_A     0.261     0    0.151   0.142     0.941   97.619   95.238
LGA    S    45_A      S    45_A     0.271     0    0.044   0.073     0.406  100.000  100.000
LGA    V    46_A      V    46_A     0.342     0    0.049   0.075     0.529  100.000   98.639
LGA    A    47_A      A    47_A     0.255     0    0.014   0.023     0.383  100.000  100.000
LGA    A    48_A      A    48_A     0.184     0    0.018   0.030     0.384  100.000  100.000
LGA    I    49_A      I    49_A     0.135     0    0.051   0.060     0.268  100.000  100.000
LGA    V    50_A      V    50_A     0.085     0    0.085   0.082     0.292  100.000  100.000
LGA    A    51_A      A    51_A     0.192     0    0.038   0.036     0.355  100.000  100.000
LGA    Q    52_A      Q    52_A     0.184     0    0.003   0.328     1.403  100.000   95.820
LGA    I    53_A      I    53_A     0.067     0    0.023   0.045     0.510  100.000   98.810
LGA    T    54_A      T    54_A     0.164     0    0.011   0.068     0.267  100.000  100.000
LGA    N    55_A      N    55_A     0.175     0    0.013   0.148     0.440  100.000  100.000
LGA    G    56_A      G    56_A     0.378     0    0.020   0.020     0.381  100.000  100.000
LGA    N    57_A      N    57_A     0.579     0    0.054   0.162     1.148   95.238   90.595
LGA    G    58_A      G    58_A     1.214     0    0.052   0.052     1.214   81.429   81.429
LGA    A    59_A      A    59_A     0.870     0    0.084   0.100     0.913   90.476   90.476
LGA    M    60_A      M    60_A     0.513     0    0.018   0.217     0.637   92.857   94.048
LGA    P    61_A      P    61_A     0.608     0    0.020   0.028     0.747   95.238   93.197
LGA    G    62_A      G    62_A     0.255     0    0.051   0.051     0.520   97.619   97.619
LGA    F    63_A      F    63_A     0.313     0    0.036   0.067     0.379  100.000  100.000
LGA    K    64_A      K    64_A     0.308     0    0.045   0.559     2.029   97.619   90.952
LGA    G    65_A      G    65_A     0.577     0    0.037   0.037     0.577   97.619   97.619
LGA    R    66_A      R    66_A     0.346     0    0.076   1.084     4.473   97.619   82.294
LGA    I    67_A      I    67_A     0.183     0    0.047   0.108     0.345  100.000  100.000
LGA    S    68_A      S    68_A     0.263     0    0.024   0.052     0.399  100.000  100.000
LGA    D    69_A      D    69_A     0.299     0    0.021   0.287     0.683  100.000   97.619
LGA    S    70_A      S    70_A     0.544     0    0.026   0.655     1.894   95.238   90.714
LGA    D    71_A      D    71_A     0.177     0    0.027   0.227     1.221  100.000   97.679
LGA    M    72_A      M    72_A     0.291     0    0.021   0.272     0.807  100.000   98.810
LGA    E    73_A      E    73_A     0.413     0    0.032   0.714     2.530  100.000   88.201
LGA    D    74_A      D    74_A     0.299     0    0.009   0.055     0.544  100.000   97.619
LGA    V    75_A      V    75_A     0.307     0    0.032   1.109     2.296  100.000   88.571
LGA    A    76_A      A    76_A     0.337     0    0.010   0.031     0.455  100.000  100.000
LGA    A    77_A      A    77_A     0.287     0    0.039   0.048     0.366  100.000  100.000
LGA    Y    78_A      Y    78_A     0.168     0    0.011   0.076     0.518  100.000   98.413
LGA    V    79_A      V    79_A     0.195     0    0.012   0.033     0.247  100.000  100.000
LGA    L    80_A      L    80_A     0.333     0    0.071   0.196     0.569   97.619   98.810
LGA    D    81_A      D    81_A     0.398     0    0.046   0.139     1.305   97.619   94.107
LGA    Q    82_A      Q    82_A     0.195     0    0.028   1.006     2.717  100.000   91.164
LGA    A    83_A      A    83_A     0.351     0    0.008   0.014     0.413  100.000  100.000
LGA    E    84_A      E    84_A     0.763     0    0.050   1.180     4.804   90.476   71.217
LGA    K    85_A      K    85_A     1.241     0    0.072   0.922     2.284   83.690   80.847
LGA    G    86_A      G    86_A     1.403     0    0.488   0.488     4.037   68.452   68.452
LGA    W    87_A      W    87_A     2.196     0    0.099   0.741     5.709   49.762   58.129

# 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):     1.987          1.992                  1.803           93.534   91.198

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.52    95.977    97.590    13.605

LGA_LOCAL      RMSD:   0.517  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.102  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.987  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.248440 * X  +   0.617459 * Y  +  -0.746339 * Z  +  10.406301
  Y_new =   0.518345 * X  +  -0.735641 * Y  +  -0.436062 * Z  +  30.141775
  Z_new =  -0.818288 * X  +  -0.278526 * Y  +  -0.502820 * Z  +  85.848251 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.123850  0.958427 -2.635739   [DEG:   64.3918   54.9138 -151.0167 ]
ZXZ: -1.042025  2.097654 -1.898872   [DEG:  -59.7036  120.1867 -108.7973 ]
 
# END of job
