
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  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:    78      15_A - 92_A        4.53    13.94
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.90    14.35
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.72    14.44
  LCS_AVERAGE:     72.85

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     K    15_A     K    15_A     73   75   78     17   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     17   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     41   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     46   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     42   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     42   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     49   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     16   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     23   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     45   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    51_A     G    51_A     73   75   78     22   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      7   24   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      7   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    55_A     S    55_A     73   75   78     40   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     N    56_A     N    56_A     73   75   78     35   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    58_A     E    58_A     73   75   78     27   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    66_A     E    66_A     73   75   78     41   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    67_A     R    67_A     73   75   78      6   63   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     41   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     45   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     50   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     51   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      3    9   19   33   67   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    88_A     I    88_A     14   75   78     10   12   14   14   14   20   26   33   46   64   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    89_A     L    89_A     14   75   78     10   12   14   14   14   14   15   16   16   18   18   20   27   33   41   53   68   75   76   76 
LCS_GDT     K    90_A     K    90_A     14   16   78     10   12   14   14   14   14   15   16   16   18   18   20   27   32   39   46   51   64   76   76 
LCS_GDT     L    91_A     L    91_A     14   16   78     10   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   26   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78     10   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   26   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19     10   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   26   28   29   29 
LCS_GDT     F    94_A     F    94_A     14   16   19     10   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   26   28   29   29 
LCS_GDT     V    95_A     V    95_A     14   16   19     10   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   24   26   27   29 
LCS_GDT     N    96_A     N    96_A     14   16   19     10   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   24   26   27   29 
LCS_GDT     G    97_A     G    97_A     14   16   19     10   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   24   26   27   29 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      3   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   26   28   29   29 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   12   14   14   14   14   15   16   16   18   18   20   21   22   23   23   26   28   29   29 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    7   14   14   14   14   15   16   16   18   18   20   21   22   23   23   26   28   29   29 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    8    8   11   15   16   16   18   18   20   21   22   23   23   26   28   29   29 
LCS_AVERAGE  LCS_A:  77.45  (  72.85   76.85   82.64 )

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     51     69     72     72     72     73     73     73     73     73     74     74     74     74     74     74     74     75     76     76 
GDT PERCENT_AT  58.62  79.31  82.76  82.76  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  85.06  86.21  87.36  87.36
GDT RMS_LOCAL    0.30   0.47   0.53   0.53   0.53   0.72   0.72   0.72   0.72   0.72   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.90   2.53   2.53
GDT RMS_ALL_AT  14.45  14.46  14.44  14.44  14.44  14.44  14.44  14.44  14.44  14.44  14.41  14.41  14.41  14.41  14.41  14.41  14.41  14.35  14.26  14.26

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  F    81_A      F    81_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     0.659     0    0.471   1.433     8.778   84.048   53.175
LGA    L    16_A      L    16_A     0.950     0    0.018   0.090     1.065   92.857   90.536
LGA    I    17_A      I    17_A     0.559     0    0.070   0.109     1.337   95.238   90.595
LGA    I    18_A      I    18_A     0.072     0    0.023   0.075     0.550   97.619   97.619
LGA    K    19_A      K    19_A     0.331     0    0.075   0.361     2.337  100.000   90.899
LGA    A    20_A      A    20_A     0.289     0    0.010   0.032     0.493  100.000  100.000
LGA    Q    21_A      Q    21_A     0.210     0    0.013   0.083     0.446  100.000  100.000
LGA    L    22_A      L    22_A     0.405     0    0.048   0.071     0.933  100.000   95.238
LGA    G    23_A      G    23_A     0.390     0    0.028   0.028     0.487  100.000  100.000
LGA    E    24_A      E    24_A     0.375     0    0.031   0.917     5.216   97.619   76.614
LGA    D    25_A      D    25_A     0.366     0    0.059   0.910     3.794  100.000   80.476
LGA    I    26_A      I    26_A     0.585     0    0.080   0.127     1.094   90.595   91.726
LGA    R    27_A      R    27_A     0.879     0    0.039   1.041     4.274   90.476   81.732
LGA    R    28_A      R    28_A     0.756     0    0.041   1.283     6.725   90.476   68.052
LGA    I    29_A      I    29_A     0.826     0    0.015   0.405     1.322   90.476   88.214
LGA    P    30_A      P    30_A     0.813     0    0.017   0.053     1.199   90.476   86.599
LGA    I    31_A      I    31_A     0.522     0    0.031   0.533     1.476   95.238   90.595
LGA    H    32_A      H    32_A     0.855     0    0.185   0.266     1.591   88.214   83.333
LGA    N    33_A      N    33_A     0.771     0    0.016   0.817     3.456   90.476   77.143
LGA    E    34_A      E    34_A     0.350     0    0.042   0.239     1.842   97.619   90.741
LGA    D    35_A      D    35_A     0.598     0    0.057   1.190     3.901   92.857   77.500
LGA    I    36_A      I    36_A     0.237     0    0.040   0.061     0.623  100.000   98.810
LGA    T    37_A      T    37_A     0.186     0    0.019   0.114     0.527  100.000   98.639
LGA    Y    38_A      Y    38_A     0.170     0    0.018   0.113     0.411  100.000  100.000
LGA    D    39_A      D    39_A     0.297     0    0.028   0.111     0.865  100.000   96.429
LGA    E    40_A      E    40_A     0.210     0    0.017   0.160     0.503  100.000   98.942
LGA    L    41_A      L    41_A     0.131     0    0.029   0.071     0.281  100.000  100.000
LGA    V    42_A      V    42_A     0.109     0    0.028   0.048     0.254  100.000  100.000
LGA    L    43_A      L    43_A     0.203     0    0.034   0.066     0.486  100.000  100.000
LGA    M    44_A      M    44_A     0.177     0    0.052   0.807     1.965  100.000   89.821
LGA    M    45_A      M    45_A     0.175     0    0.040   0.099     0.247  100.000  100.000
LGA    Q    46_A      Q    46_A     0.205     0    0.024   0.240     0.619  100.000   97.884
LGA    R    47_A      R    47_A     0.170     0    0.044   1.291     5.188  100.000   81.169
LGA    V    48_A      V    48_A     0.441     0    0.087   1.275     2.538  100.000   87.483
LGA    F    49_A      F    49_A     0.183     0    0.025   0.087     0.513  100.000   99.134
LGA    R    50_A      R    50_A     0.113     0    0.551   1.326     5.931   85.119   71.082
LGA    G    51_A      G    51_A     1.108     0    0.109   0.109     1.415   85.952   85.952
LGA    K    52_A      K    52_A     0.355     0    0.128   0.771     2.352   97.619   90.847
LGA    L    53_A      L    53_A     1.283     0    0.104   0.101     1.776   79.286   80.357
LGA    L    54_A      L    54_A     0.831     0    0.064   0.131     1.481   90.476   88.214
LGA    S    55_A      S    55_A     0.724     0    0.081   0.154     1.015   88.214   88.968
LGA    N    56_A      N    56_A     0.803     0    0.035   1.128     3.179   90.476   83.155
LGA    D    57_A      D    57_A     0.509     0    0.081   0.107     0.771   90.476   95.238
LGA    E    58_A      E    58_A     0.840     0    0.030   0.535     2.214   90.476   83.598
LGA    V    59_A      V    59_A     0.430     0    0.076   0.094     0.632   97.619   97.279
LGA    T    60_A      T    60_A     0.264     0    0.047   0.259     0.860  100.000   98.639
LGA    I    61_A      I    61_A     0.203     0    0.009   0.091     0.494  100.000  100.000
LGA    K    62_A      K    62_A     0.127     0    0.066   0.137     0.579  100.000   98.942
LGA    Y    63_A      Y    63_A     0.338     0    0.015   0.115     0.781  100.000   96.825
LGA    K    64_A      K    64_A     0.230     0    0.034   0.793     4.330  100.000   78.942
LGA    A    65_A      A    65_A     0.359     0    0.031   0.035     0.484  100.000  100.000
LGA    E    66_A      E    66_A     0.878     0    0.644   0.852     3.198   78.095   80.952
LGA    R    67_A      R    67_A     1.529     0    0.280   1.455    11.108   83.810   43.810
LGA    G    68_A      G    68_A     0.730     0    0.104   0.104     0.986   90.476   90.476
LGA    D    69_A      D    69_A     0.651     0    0.016   1.044     3.514   95.238   81.548
LGA    L    70_A      L    70_A     0.391     0    0.104   0.158     0.912   97.619   97.619
LGA    I    71_A      I    71_A     0.220     0    0.016   0.101     0.266  100.000  100.000
LGA    T    72_A      T    72_A     0.241     0    0.020   0.055     0.323  100.000  100.000
LGA    I    73_A      I    73_A     0.342     0    0.021   0.113     0.542  100.000   97.619
LGA    F    74_A      F    74_A     0.280     0    0.032   1.298     6.158  100.000   67.100
LGA    D    75_A      D    75_A     0.285     0    0.057   0.103     0.373  100.000  100.000
LGA    S    76_A      S    76_A     0.239     0    0.060   0.057     0.415  100.000  100.000
LGA    S    77_A      S    77_A     0.561     0    0.051   0.508     0.972   97.619   95.238
LGA    D    78_A      D    78_A     0.313     0    0.013   0.053     0.604  100.000   98.810
LGA    L    79_A      L    79_A     0.098     0    0.012   0.025     0.310  100.000  100.000
LGA    S    80_A      S    80_A     0.377     0    0.016   0.044     0.522  100.000   98.413
LGA    F    81_A      F    81_A     0.474     0    0.035   0.050     1.008  100.000   93.117
LGA    A    82_A      A    82_A     0.213     0    0.047   0.044     0.263  100.000  100.000
LGA    I    83_A      I    83_A     0.233     0    0.012   0.082     0.667  100.000   97.619
LGA    Q    84_A      Q    84_A     0.302     0    0.034   0.934     4.746  100.000   76.349
LGA    C    85_A      C    85_A     0.280     0    0.123   0.135     0.950   97.619   95.238
LGA    S    86_A      S    86_A     0.428     0    0.590   0.751     3.987   77.024   69.365
LGA    R    87_A      R    87_A     4.131     0    0.494   0.968     8.787   29.524   37.100
LGA    I    88_A      I    88_A     8.438     0    0.193   0.613    10.831    7.619    4.583
LGA    L    89_A      L    89_A    12.946     0    0.087   0.121    19.035    0.000    0.000
LGA    K    90_A      K    90_A    15.041     0    0.041   0.583    17.429    0.000    2.910
LGA    L    91_A      L    91_A    22.294     0    0.043   0.064    25.515    0.000    0.000
LGA    T    92_A      T    92_A    26.533     0    0.045   1.080    29.942    0.000    0.000
LGA    L    93_A      L    93_A    34.055     0    0.084   0.984    35.598    0.000    0.000
LGA    F    94_A      F    94_A    39.203     0    0.017   0.095    42.693    0.000    0.000
LGA    V    95_A      V    95_A    46.424     0    0.015   0.024    50.083    0.000    0.000
LGA    N    96_A      N    96_A    51.912     0    0.023   0.082    56.142    0.000    0.000
LGA    G    97_A      G    97_A    46.978     0    0.017   0.017    48.404    0.000    0.000
LGA    Q    98_A      Q    98_A    43.770     0    0.042   1.038    48.022    0.000    0.000
LGA    P    99_A      P    99_A    37.018     0    0.664   0.607    39.065    0.000    0.000
LGA    R   100_A      R   100_A    39.971     0    0.370   1.361    42.616    0.000    0.000
LGA    P   101_A      P   101_A    42.312     0    0.699   0.600    44.984    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    12.396         12.427                 12.422           79.709   75.000

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.72    82.759    81.786     8.918

LGA_LOCAL      RMSD:   0.719  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.436  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.396  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.941780 * X  +   0.223838 * Y  +  -0.250891 * Z  + -12.696932
  Y_new =  -0.202540 * X  +  -0.217933 * Y  +  -0.954716 * Z  +  14.909812
  Z_new =  -0.268379 * X  +   0.949948 * Y  +  -0.159909 * Z  +   2.711354 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.211834  0.271710  1.737567   [DEG:  -12.1372   15.5678   99.5553 ]
ZXZ: -0.256981  1.731395 -0.275344   [DEG:  -14.7239   99.2016  -15.7760 ]
 
# END of job
