
#######################################################
#                                                     #
#                        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   85 (  613),  selected   85 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   85 , 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:    85       3_A - 87_A        1.37     1.37
  LCS_AVERAGE:     95.51

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        1.37     1.37
  LCS_AVERAGE:     95.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      30_A - 87_A        0.98     1.51
  LCS_AVERAGE:     52.29

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   85
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     A     3_A     A     3_A     21   85   85      0    3   16   72   77   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D     4_A     D     4_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L     5_A     L     5_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A     6_A     A     6_A     23   85   85      7   39   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     H     7_A     H     7_A     23   85   85     14   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G     8_A     G     8_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G     9_A     G     9_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Q    10_A     Q    10_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    11_A     V    11_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     F    12_A     F    12_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    13_A     S    13_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    14_A     A    14_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    15_A     N    15_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     C    16_A     C    16_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    17_A     A    17_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    18_A     A    18_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     C    19_A     C    19_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     H    20_A     H    20_A     23   85   85     43   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    21_A     L    21_A     23   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    22_A     G    22_A     23   85   85      3   28   67   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    23_A     G    23_A     23   85   85      4    5   11   32   60   77   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     R    24_A     R    24_A     23   85   85      4    8   38   72   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    25_A     N    25_A     23   85   85      4   22   53   72   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    26_A     V    26_A     23   85   85      4   23   53   72   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    27_A     V    27_A     14   85   85      5   20   48   72   77   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    28_A     N    28_A     14   85   85      3   18   34   64   76   81   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     P    29_A     P    29_A     14   85   85      3   18   46   72   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    30_A     A    30_A     58   85   85      3    4   46   72   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    31_A     K    31_A     58   85   85      3   12   50   72   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     T    32_A     T    32_A     58   85   85      4   36   67   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    33_A     L    33_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Q    34_A     Q    34_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    35_A     K    35_A     58   85   85     42   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    36_A     A    36_A     58   85   85     40   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    37_A     D    37_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    38_A     L    38_A     58   85   85     35   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    39_A     D    39_A     58   85   85     35   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Q    40_A     Q    40_A     58   85   85     35   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Y    41_A     Y    41_A     58   85   85      7   63   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    42_A     G    42_A     58   85   85     38   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     M    43_A     M    43_A     58   85   85     40   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    44_A     A    44_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    45_A     S    45_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    46_A     I    46_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     E    47_A     E    47_A     58   85   85     40   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    48_A     A    48_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    49_A     I    49_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     T    50_A     T    50_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     T    51_A     T    51_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Q    52_A     Q    52_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    53_A     V    53_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     T    54_A     T    54_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    55_A     N    55_A     58   85   85     44   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    56_A     G    56_A     58   85   85      3   37   70   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    57_A     K    57_A     58   85   85     28   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    58_A     G    58_A     58   85   85      3   54   71   74   77   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    59_A     A    59_A     58   85   85      9   26   59   72   76   79   83   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     M    60_A     M    60_A     58   85   85     19   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     P    61_A     P    61_A     58   85   85     44   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    62_A     A    62_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     F    63_A     F    63_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    64_A     G    64_A     58   85   85      6   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    65_A     S    65_A     58   85   85     22   58   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    66_A     K    66_A     58   85   85     32   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    67_A     L    67_A     58   85   85     43   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    68_A     S    68_A     58   85   85     42   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    69_A     A    69_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    70_A     D    70_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    71_A     D    71_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    72_A     I    72_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    73_A     A    73_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    74_A     D    74_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    75_A     V    75_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    76_A     A    76_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    77_A     S    77_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Y    78_A     Y    78_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    79_A     V    79_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    80_A     L    80_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    81_A     D    81_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Q    82_A     Q    82_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    83_A     S    83_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     E    84_A     E    84_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    85_A     K    85_A     58   85   85     39   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    86_A     G    86_A     58   85   85     35   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     W    87_A     W    87_A     58   85   85     45   64   71   74   79   82   84   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_AVERAGE  LCS_A:  81.10  (  52.29   95.51   95.51 )

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     45     64     71     74     79     82     84     85     85     85     85     85     85     85     85     85     85     85     85     85 
GDT PERCENT_AT  50.56  71.91  79.78  83.15  88.76  92.13  94.38  95.51  95.51  95.51  95.51  95.51  95.51  95.51  95.51  95.51  95.51  95.51  95.51  95.51
GDT RMS_LOCAL    0.31   0.47   0.64   0.75   1.07   1.20   1.32   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.41   1.45   1.48   1.46   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# 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    A     3_A      A     3_A     2.882     0    0.379   0.351     4.352   62.143   62.667
LGA    D     4_A      D     4_A     0.355     0    0.221   0.874     3.589   97.619   78.929
LGA    L     5_A      L     5_A     0.442     0    0.099   0.082     0.758   95.238   95.238
LGA    A     6_A      A     6_A     1.442     0    0.076   0.080     2.076   81.429   78.095
LGA    H     7_A      H     7_A     1.040     0    0.022   1.376     4.492   85.952   68.762
LGA    G     8_A      G     8_A     0.097     0    0.016   0.016     0.362  100.000  100.000
LGA    G     9_A      G     9_A     0.377     0    0.034   0.034     0.377  100.000  100.000
LGA    Q    10_A      Q    10_A     0.205     0    0.010   0.149     0.876  100.000   96.825
LGA    V    11_A      V    11_A     0.144     0    0.019   0.041     0.357  100.000  100.000
LGA    F    12_A      F    12_A     0.195     0    0.016   0.202     1.025  100.000   94.848
LGA    S    13_A      S    13_A     0.239     0    0.017   0.656     2.423  100.000   94.127
LGA    A    14_A      A    14_A     0.199     0    0.042   0.045     0.257  100.000  100.000
LGA    N    15_A      N    15_A     0.180     0    0.018   0.054     0.347  100.000  100.000
LGA    C    16_A      C    16_A     0.066     0    0.023   0.144     0.443  100.000  100.000
LGA    A    17_A      A    17_A     0.121     0    0.055   0.054     0.277  100.000  100.000
LGA    A    18_A      A    18_A     0.329     0    0.042   0.050     0.877   95.238   94.286
LGA    C    19_A      C    19_A     0.520     0    0.044   0.051     0.727   92.857   92.063
LGA    H    20_A      H    20_A     0.608     0    0.099   1.035     2.531   90.595   84.762
LGA    L    21_A      L    21_A     0.464     0    0.082   0.178     2.215   88.452   83.988
LGA    G    22_A      G    22_A     1.637     0    0.338   0.338     3.454   69.524   69.524
LGA    G    23_A      G    23_A     3.745     0    0.426   0.426     3.745   51.905   51.905
LGA    R    24_A      R    24_A     2.561     0    0.179   1.079     8.982   47.143   34.978
LGA    N    25_A      N    25_A     2.679     0    0.210   1.188     4.822   55.595   51.369
LGA    V    26_A      V    26_A     2.754     0    0.078   1.208     3.997   53.571   53.197
LGA    V    27_A      V    27_A     3.470     0    0.355   1.207     5.316   53.690   48.776
LGA    N    28_A      N    28_A     3.870     0    0.292   1.026     5.743   34.762   35.595
LGA    P    29_A      P    29_A     2.740     0    0.283   0.423     3.142   57.143   57.211
LGA    A    30_A      A    30_A     2.675     0    0.131   0.127     3.497   65.000   62.000
LGA    K    31_A      K    31_A     2.443     0    0.308   0.822     4.459   68.810   53.280
LGA    T    32_A      T    32_A     1.611     0    0.025   1.052     3.683   75.119   69.932
LGA    L    33_A      L    33_A     0.475     0    0.140   0.192     0.595   97.619   97.619
LGA    Q    34_A      Q    34_A     0.755     0    0.033   1.059     5.644   90.476   72.646
LGA    K    35_A      K    35_A     0.965     0    0.016   0.642     1.860   85.952   82.487
LGA    A    36_A      A    36_A     1.130     0    0.010   0.009     1.169   81.429   81.429
LGA    D    37_A      D    37_A     0.756     0    0.008   0.020     1.033   88.214   92.917
LGA    L    38_A      L    38_A     1.011     0    0.009   0.174     1.219   83.690   87.083
LGA    D    39_A      D    39_A     1.326     0    0.074   0.090     1.416   81.429   81.429
LGA    Q    40_A      Q    40_A     1.553     0    0.010   0.874     1.879   75.000   77.725
LGA    Y    41_A      Y    41_A     2.046     0    0.034   0.116     4.381   70.833   54.802
LGA    G    42_A      G    42_A     1.074     0    0.031   0.031     1.297   81.429   81.429
LGA    M    43_A      M    43_A     0.991     0    0.077   0.126     1.541   88.214   83.750
LGA    A    44_A      A    44_A     0.558     0    0.040   0.039     0.674   95.238   96.190
LGA    S    45_A      S    45_A     0.317     0    0.020   0.058     0.468  100.000  100.000
LGA    I    46_A      I    46_A     0.551     0    0.013   0.667     2.886   92.857   88.690
LGA    E    47_A      E    47_A     0.824     0    0.048   0.968     4.479   90.476   72.646
LGA    A    48_A      A    48_A     0.658     0    0.014   0.015     0.695   90.476   90.476
LGA    I    49_A      I    49_A     0.526     0    0.031   0.100     0.543   90.476   94.048
LGA    T    50_A      T    50_A     0.687     0    0.047   1.107     2.633   90.476   83.197
LGA    T    51_A      T    51_A     0.623     0    0.012   0.040     0.635   90.476   90.476
LGA    Q    52_A      Q    52_A     0.617     0    0.025   0.837     2.303   90.476   85.661
LGA    V    53_A      V    53_A     0.424     0    0.010   0.050     0.525   97.619   98.639
LGA    T    54_A      T    54_A     0.586     0    0.027   0.050     0.867   92.857   91.837
LGA    N    55_A      N    55_A     0.997     0    0.046   0.417     1.667   85.952   82.619
LGA    G    56_A      G    56_A     2.206     0    0.327   0.327     2.206   75.238   75.238
LGA    K    57_A      K    57_A     1.938     0    0.074   0.077     2.619   68.810   64.868
LGA    G    58_A      G    58_A     2.456     0    0.605   0.605     2.872   62.857   62.857
LGA    A    59_A      A    59_A     3.440     0    0.085   0.082     3.807   51.905   50.190
LGA    M    60_A      M    60_A     1.826     0    0.044   0.924     4.483   75.119   70.595
LGA    P    61_A      P    61_A     0.903     0    0.082   0.167     1.313   88.214   86.599
LGA    A    62_A      A    62_A     0.758     0    0.075   0.084     1.053   88.214   88.667
LGA    F    63_A      F    63_A     0.262     0    0.025   0.185     1.121  100.000   94.848
LGA    G    64_A      G    64_A     0.985     0    0.018   0.018     1.398   85.952   85.952
LGA    S    65_A      S    65_A     1.306     0    0.199   0.618     4.019   88.214   77.143
LGA    K    66_A      K    66_A     0.776     0    0.086   0.735     3.081   90.476   79.312
LGA    L    67_A      L    67_A     0.396     0    0.033   0.050     0.557   95.238   96.429
LGA    S    68_A      S    68_A     0.455     0    0.012   0.049     0.584  100.000   96.825
LGA    A    69_A      A    69_A     0.215     0    0.019   0.021     0.359  100.000  100.000
LGA    D    70_A      D    70_A     0.386     0    0.024   0.157     1.413  100.000   94.107
LGA    D    71_A      D    71_A     0.084     0    0.016   0.055     0.663  100.000   98.810
LGA    I    72_A      I    72_A     0.103     0    0.011   0.046     0.285  100.000  100.000
LGA    A    73_A      A    73_A     0.175     0    0.028   0.035     0.243  100.000  100.000
LGA    D    74_A      D    74_A     0.127     0    0.019   0.029     0.268  100.000  100.000
LGA    V    75_A      V    75_A     0.081     0    0.022   0.057     0.277  100.000  100.000
LGA    A    76_A      A    76_A     0.195     0    0.028   0.030     0.243  100.000  100.000
LGA    S    77_A      S    77_A     0.137     0    0.039   0.671     2.411  100.000   94.127
LGA    Y    78_A      Y    78_A     0.217     0    0.014   0.030     0.247  100.000  100.000
LGA    V    79_A      V    79_A     0.229     0    0.006   0.057     0.286  100.000  100.000
LGA    L    80_A      L    80_A     0.168     0    0.017   1.392     3.263  100.000   83.095
LGA    D    81_A      D    81_A     0.262     0    0.017   0.843     3.217  100.000   85.000
LGA    Q    82_A      Q    82_A     0.360     0    0.018   0.672     1.986  100.000   94.921
LGA    S    83_A      S    83_A     0.338     0    0.030   0.596     2.031  100.000   94.127
LGA    E    84_A      E    84_A     0.290     0    0.020   0.838     3.009   97.619   78.042
LGA    K    85_A      K    85_A     0.878     0    0.014   0.087     1.586   88.214   83.492
LGA    G    86_A      G    86_A     1.186     0    0.520   0.520     3.749   72.024   72.024
LGA    W    87_A      W    87_A     0.407     0    0.464   0.326     1.482   92.976   91.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       85     340    340  100.00     613    613  100.00                89
SUMMARY(RMSD_GDC):     1.370          1.391                  1.770           82.860   79.535

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   85   89    4.0     85    1.37    86.517    90.888     5.783

LGA_LOCAL      RMSD:   1.370  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.370  Number of assigned atoms:   85 
Std_ASGN_ATOMS RMSD:   1.370  Standard rmsd on all 85 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.519766 * X  +   0.006760 * Y  +   0.854282 * Z  + -18.591488
  Y_new =  -0.261377 * X  +  -0.950759 * Y  +   0.166551 * Z  + -15.363523
  Z_new =   0.813342 * X  +  -0.309857 * Y  +  -0.492405 * Z  + -13.845687 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.465944 -0.949874 -2.579927   [DEG:  -26.6966  -54.4238 -147.8189 ]
ZXZ:  1.763341  2.085648  1.934788   [DEG:  101.0320  119.4988  110.8552 ]
 
# END of job
