
#######################################################
#                                                     #
#                        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        1.95     1.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.95     1.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.90     2.03
  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    6    6    7    8    9   12   16   24   27   30   71   84   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   87   87      3    3    4    5   15   34   45   82   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    6   14   28   67   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     72   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     17   83   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     85   87   87     65   83   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     85   87   87     73   83   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     85   87   87     54   83   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     85   87   87     65   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     36   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     44   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     73   83   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     85   87   87     68   83   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     85   87   87     41   83   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     85   87   87     31   83   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     85   87   87     49   83   84   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     73     83     84     84     84     84     84     84     85     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  83.91  95.40  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    0.27   0.36   0.38   0.38   0.38   0.38   0.38   0.38   0.96   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.95   1.95   1.95
GDT RMS_ALL_AT   2.06   2.06   2.07   2.07   2.07   2.07   2.07   2.07   2.01   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.95   1.95   1.95

# 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    15.232     0    0.076   0.076    17.233    0.000    0.000
LGA    S     2_A      S     2_A     8.326     0    0.028   0.785    10.729    4.167   10.000
LGA    A     3_A      A     3_A     7.661     0    0.639   0.595     9.294   15.476   12.667
LGA    D     4_A      D     4_A     0.405     0    0.584   1.366     5.666   87.500   65.357
LGA    L     5_A      L     5_A     0.298     0    0.037   0.078     0.377  100.000  100.000
LGA    A     6_A      A     6_A     0.365     0    0.027   0.027     0.464  100.000  100.000
LGA    H     7_A      H     7_A     0.335     0    0.003   1.106     2.492  100.000   88.238
LGA    G     8_A      G     8_A     0.208     0    0.020   0.020     0.296  100.000  100.000
LGA    K     9_A      K     9_A     0.302     0    0.008   0.066     0.603  100.000   97.884
LGA    A    10_A      A    10_A     0.375     0    0.017   0.016     0.469  100.000  100.000
LGA    I    11_A      I    11_A     0.251     0    0.011   0.073     0.682  100.000   98.810
LGA    F    12_A      F    12_A     0.197     0    0.003   0.052     0.264  100.000  100.000
LGA    A    13_A      A    13_A     0.084     0    0.016   0.016     0.178  100.000  100.000
LGA    G    14_A      G    14_A     0.189     0    0.025   0.025     0.263  100.000  100.000
LGA    N    15_A      N    15_A     0.295     0    0.029   0.063     0.671  100.000   98.810
LGA    C    16_A      C    16_A     0.222     0    0.045   0.055     0.340  100.000  100.000
LGA    A    17_A      A    17_A     0.233     0    0.022   0.022     0.346  100.000  100.000
LGA    A    18_A      A    18_A     0.456     0    0.039   0.042     0.710  100.000   98.095
LGA    C    19_A      C    19_A     0.496     0    0.044   0.082     0.865   97.619   95.238
LGA    H    20_A      H    20_A     0.262     0    0.095   0.088     0.399  100.000  100.000
LGA    N    21_A      N    21_A     0.580     0    0.007   0.364     1.246   95.238   90.595
LGA    G    22_A      G    22_A     0.381     0    0.017   0.017     0.442  100.000  100.000
LGA    G    23_A      G    23_A     0.458     0    0.017   0.017     0.458  100.000  100.000
LGA    L    24_A      L    24_A     0.178     0    0.123   0.243     0.883   97.619   96.429
LGA    N    25_A      N    25_A     0.224     0    0.034   0.043     0.277  100.000  100.000
LGA    A    26_A      A    26_A     0.351     0    0.126   0.135     0.717   97.619   98.095
LGA    I    27_A      I    27_A     0.591     0    0.012   0.641     1.836   90.476   88.274
LGA    N    28_A      N    28_A     0.620     0    0.034   0.067     1.160   90.476   89.345
LGA    P    29_A      P    29_A     0.583     0    0.017   0.048     0.724   90.476   93.197
LGA    S    30_A      S    30_A     0.841     0    0.017   0.090     1.073   90.476   88.968
LGA    K    31_A      K    31_A     0.644     0    0.027   0.925     3.013   95.238   88.095
LGA    T    32_A      T    32_A     0.178     0    0.011   0.043     0.306  100.000  100.000
LGA    L    33_A      L    33_A     0.084     0    0.013   0.117     0.349  100.000  100.000
LGA    K    34_A      K    34_A     0.155     0    0.016   0.114     1.305  100.000   95.820
LGA    M    35_A      M    35_A     0.139     0    0.031   0.080     0.302  100.000  100.000
LGA    A    36_A      A    36_A     0.062     0    0.025   0.025     0.215  100.000  100.000
LGA    D    37_A      D    37_A     0.087     0    0.011   0.144     0.786  100.000   98.810
LGA    L    38_A      L    38_A     0.134     0    0.006   0.037     0.232  100.000  100.000
LGA    E    39_A      E    39_A     0.181     0    0.014   0.972     2.973  100.000   82.646
LGA    A    40_A      A    40_A     0.275     0    0.038   0.042     0.390  100.000  100.000
LGA    N    41_A      N    41_A     0.402     0    0.015   0.055     0.628   95.238   96.429
LGA    G    42_A      G    42_A     0.546     0    0.037   0.037     0.675   90.476   90.476
LGA    K    43_A      K    43_A     0.398     0    0.125   0.150     1.151   97.619   93.704
LGA    N    44_A      N    44_A     0.158     0    0.171   0.135     0.946   97.619   95.238
LGA    S    45_A      S    45_A     0.112     0    0.025   0.070     0.227  100.000  100.000
LGA    V    46_A      V    46_A     0.221     0    0.014   0.026     0.361  100.000  100.000
LGA    A    47_A      A    47_A     0.154     0    0.013   0.013     0.240  100.000  100.000
LGA    A    48_A      A    48_A     0.120     0    0.050   0.058     0.282  100.000  100.000
LGA    I    49_A      I    49_A     0.175     0    0.019   0.064     0.211  100.000  100.000
LGA    V    50_A      V    50_A     0.089     0    0.012   0.038     0.141  100.000  100.000
LGA    A    51_A      A    51_A     0.232     0    0.008   0.012     0.363  100.000  100.000
LGA    Q    52_A      Q    52_A     0.410     0    0.000   0.121     1.076  100.000   93.704
LGA    I    53_A      I    53_A     0.160     0    0.002   0.023     0.394  100.000  100.000
LGA    T    54_A      T    54_A     0.163     0    0.009   0.017     0.210  100.000  100.000
LGA    N    55_A      N    55_A     0.218     0    0.039   0.091     0.493  100.000  100.000
LGA    G    56_A      G    56_A     0.255     0    0.030   0.030     0.385  100.000  100.000
LGA    N    57_A      N    57_A     0.237     0    0.110   0.235     0.511  100.000   98.810
LGA    G    58_A      G    58_A     0.747     0    0.018   0.018     0.747   90.476   90.476
LGA    A    59_A      A    59_A     0.450     0    0.081   0.089     0.596  100.000   98.095
LGA    M    60_A      M    60_A     0.411     0    0.025   0.260     1.063  100.000   95.298
LGA    P    61_A      P    61_A     0.466     0    0.000   0.044     0.655  100.000   95.918
LGA    G    62_A      G    62_A     0.165     0    0.050   0.050     0.274  100.000  100.000
LGA    F    63_A      F    63_A     0.137     0    0.044   0.055     0.288  100.000  100.000
LGA    K    64_A      K    64_A     0.207     0    0.015   0.532     2.165  100.000   92.011
LGA    G    65_A      G    65_A     0.246     0    0.053   0.053     0.503   97.619   97.619
LGA    R    66_A      R    66_A     0.168     0    0.081   1.097     4.064  100.000   84.632
LGA    I    67_A      I    67_A     0.082     0    0.033   0.063     0.158  100.000  100.000
LGA    S    68_A      S    68_A     0.087     0    0.028   0.038     0.190  100.000  100.000
LGA    D    69_A      D    69_A     0.055     0    0.000   0.236     0.665  100.000   97.619
LGA    S    70_A      S    70_A     0.254     0    0.010   0.042     0.337  100.000  100.000
LGA    D    71_A      D    71_A     0.228     0    0.048   0.127     0.514  100.000   97.619
LGA    M    72_A      M    72_A     0.255     0    0.012   0.607     2.092  100.000   95.595
LGA    E    73_A      E    73_A     0.352     0    0.007   0.702     2.696  100.000   88.307
LGA    D    74_A      D    74_A     0.252     0    0.019   0.031     0.349  100.000  100.000
LGA    V    75_A      V    75_A     0.255     0    0.036   1.124     2.321  100.000   89.932
LGA    A    76_A      A    76_A     0.294     0    0.011   0.013     0.368  100.000  100.000
LGA    A    77_A      A    77_A     0.287     0    0.019   0.019     0.332  100.000  100.000
LGA    Y    78_A      Y    78_A     0.172     0    0.011   0.041     0.318  100.000  100.000
LGA    V    79_A      V    79_A     0.139     0    0.006   0.035     0.179  100.000  100.000
LGA    L    80_A      L    80_A     0.171     0    0.018   0.129     0.305  100.000  100.000
LGA    D    81_A      D    81_A     0.250     0    0.010   0.018     0.613  100.000   96.429
LGA    Q    82_A      Q    82_A     0.201     0    0.018   1.057     2.566  100.000   92.222
LGA    A    83_A      A    83_A     0.294     0    0.013   0.016     0.370  100.000  100.000
LGA    E    84_A      E    84_A     0.614     0    0.057   1.183     4.557   92.857   74.021
LGA    K    85_A      K    85_A     1.058     0    0.078   0.821     2.556   85.952   81.852
LGA    G    86_A      G    86_A     1.107     0    0.514   0.514     3.380   73.690   73.690
LGA    W    87_A      W    87_A     0.859     0    0.121   1.133     4.201   90.476   77.789

# 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):     1.955          1.912                  1.725           94.993   92.677

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.38    96.839    97.948    17.670

LGA_LOCAL      RMSD:   0.375  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.067  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.955  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.888647 * X  +  -0.348257 * Y  +   0.298368 * Z  +  10.383758
  Y_new =  -0.298659 * X  +   0.933222 * Y  +   0.199750 * Z  +  29.756012
  Z_new =  -0.348008 * X  +   0.088398 * Y  +  -0.933315 * Z  +  86.319366 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.817370  0.355445  3.047161   [DEG: -161.4234   20.3655  174.5894 ]
ZXZ:  2.160743  2.774333 -1.322047   [DEG:  123.8014  158.9576  -75.7477 ]
 
# END of job
