
#######################################################
#                                                     #
#                        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        4.66    14.12
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.57    14.61
  LCS_AVERAGE:     75.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      15_A - 52_A        0.93    14.49
  LCS_AVERAGE:     35.18

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     38   74   78     19   43   59   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     38   74   78     19   52   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     38   74   78     25   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     38   74   78     29   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     38   74   78     29   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     38   74   78     26   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     38   74   78     22   53   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     38   74   78     29   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     38   74   78     26   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     38   74   78     18   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     38   74   78      7   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     38   74   78     16   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     38   74   78     25   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     38   74   78     25   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     38   74   78     31   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     38   74   78     32   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     38   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     38   74   78     32   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     38   74   78     19   54   59   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     38   74   78      3    4   29   55   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     38   74   78      3   40   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     15   74   78      4   13   51   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     15   74   78      4    9   30   66   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     15   74   78      4   17   47   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     31   74   78     11   40   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     31   74   78      4   40   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     31   74   78      6   45   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     31   74   78      6   38   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     31   74   78     19   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     31   74   78     22   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     31   74   78      3   28   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     31   74   78      4   11   18   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     31   74   78      7   32   60   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     31   74   78      7   46   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     31   74   78     19   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     31   74   78     32   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     31   74   78     31   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     31   74   78     35   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     31   74   78     32   55   63   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     28   74   78      6   13   25   40   62   71   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   74   78     11   13   14   14   14   16   28   33   46   61   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   16   78     10   13   14   14   14   14   15   16   16   17   18   20   25   33   42   55   69   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78     11   13   14   14   14   14   15   16   16   17   18   20   25   30   35   41   53   65   73   76 
LCS_GDT     L    91_A     L    91_A     14   16   78     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   28   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   28   28   29   29 
LCS_GDT     L    93_A     L    93_A     14   16   19     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   28   28   29   29 
LCS_GDT     F    94_A     F    94_A     14   16   19     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   28   28   29   29 
LCS_GDT     V    95_A     V    95_A     14   16   19     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   25   26   27   28 
LCS_GDT     N    96_A     N    96_A     14   16   19     11   13   14   14   14   14   15   16   16   16   18   20   22   22   22   24   25   26   27   28 
LCS_GDT     G    97_A     G    97_A     14   16   19     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   25   26   27   29 
LCS_GDT     Q    98_A     Q    98_A     14   16   19     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   28   28   29   29 
LCS_GDT     P    99_A     P    99_A     14   16   19     11   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   28   28   29   29 
LCS_GDT     R   100_A     R   100_A     14   16   19      3   13   14   14   14   14   15   16   16   17   18   20   22   22   23   24   28   28   29   29 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    3   12   14   15   16   16   17   18   20   22   22   23   24   28   28   29   29 
LCS_AVERAGE  LCS_A:  64.31  (  35.18   75.10   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     35     55     63     68     71     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  40.23  63.22  72.41  78.16  81.61  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.35   0.53   0.80   0.93   1.09   1.16   1.24   1.24   1.24   1.24   1.24   1.57   1.57   1.57   1.57   1.57   1.57   2.13   2.13   2.72
GDT RMS_ALL_AT  14.76  14.74  14.65  14.68  14.67  14.65  14.64  14.64  14.64  14.64  14.64  14.61  14.61  14.61  14.61  14.61  14.61  14.54  14.54  14.45

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.748     0    0.483   1.071     8.992   72.024   51.217
LGA    L    16_A      L    16_A     1.291     0    0.033   0.056     1.475   83.690   82.560
LGA    I    17_A      I    17_A     0.713     0    0.008   0.761     3.885   92.857   84.643
LGA    I    18_A      I    18_A     0.291     0    0.027   0.094     0.388  100.000  100.000
LGA    K    19_A      K    19_A     0.240     0    0.038   0.720     3.735   97.619   82.011
LGA    A    20_A      A    20_A     0.410     0    0.014   0.015     0.639  100.000   98.095
LGA    Q    21_A      Q    21_A     0.431     0    0.043   0.132     0.754   95.238   94.709
LGA    L    22_A      L    22_A     0.678     0    0.071   0.098     1.007   90.476   89.345
LGA    G    23_A      G    23_A     1.163     0    0.039   0.039     1.163   88.214   88.214
LGA    E    24_A      E    24_A     0.385     0    0.095   0.715     2.702   95.238   88.042
LGA    D    25_A      D    25_A     0.528     0    0.069   0.151     1.369   95.238   89.464
LGA    I    26_A      I    26_A     0.641     0    0.018   0.065     1.085   88.214   89.345
LGA    R    27_A      R    27_A     0.930     0    0.078   0.172     2.472   92.857   78.701
LGA    R    28_A      R    28_A     0.501     0    0.065   0.975     2.701   95.238   81.299
LGA    I    29_A      I    29_A     0.228     0    0.027   0.127     0.453  100.000  100.000
LGA    P    30_A      P    30_A     0.316     0    0.015   0.035     0.338  100.000  100.000
LGA    I    31_A      I    31_A     0.172     0    0.115   0.549     1.425   97.619   95.298
LGA    H    32_A      H    32_A     0.354     0    0.111   1.124     2.867  100.000   87.571
LGA    N    33_A      N    33_A     0.662     0    0.054   0.780     3.777   92.857   77.500
LGA    E    34_A      E    34_A     1.086     0    0.045   0.918     4.404   81.548   67.672
LGA    D    35_A      D    35_A     1.095     0    0.267   1.210     4.343   79.286   71.667
LGA    I    36_A      I    36_A     1.168     0    0.036   0.120     1.553   79.286   81.488
LGA    T    37_A      T    37_A     1.212     0    0.025   0.105     1.220   81.429   82.721
LGA    Y    38_A      Y    38_A     1.330     0    0.024   0.162     1.693   81.429   79.286
LGA    D    39_A      D    39_A     1.214     0    0.026   0.117     1.597   81.429   80.357
LGA    E    40_A      E    40_A     0.988     0    0.024   0.196     1.118   88.214   87.460
LGA    L    41_A      L    41_A     0.887     0    0.033   0.125     1.059   90.476   88.214
LGA    V    42_A      V    42_A     1.102     0    0.020   0.043     1.347   81.429   81.429
LGA    L    43_A      L    43_A     0.943     0    0.021   0.077     0.965   90.476   90.476
LGA    M    44_A      M    44_A     0.737     0    0.098   0.658     3.549   90.476   75.357
LGA    M    45_A      M    45_A     0.958     0    0.055   0.958     3.428   90.476   79.940
LGA    Q    46_A      Q    46_A     1.038     0    0.026   0.343     2.012   83.690   81.587
LGA    R    47_A      R    47_A     0.909     0    0.017   1.191     4.678   88.214   77.229
LGA    V    48_A      V    48_A     0.580     0    0.101   1.232     2.996   90.476   84.558
LGA    F    49_A      F    49_A     1.163     0    0.092   0.099     2.153   77.381   85.758
LGA    R    50_A      R    50_A     1.784     0    0.514   1.220     7.817   75.119   48.355
LGA    G    51_A      G    51_A     3.431     0    0.039   0.039     4.298   50.476   50.476
LGA    K    52_A      K    52_A     1.572     0    0.118   0.850     1.750   72.857   76.720
LGA    L    53_A      L    53_A     2.153     0    0.105   1.418     3.934   59.524   56.667
LGA    L    54_A      L    54_A     2.825     0    0.078   0.153     3.864   60.952   55.536
LGA    S    55_A      S    55_A     2.795     0    0.084   0.086     3.135   60.952   58.492
LGA    N    56_A      N    56_A     1.567     0    0.033   1.167     6.146   77.143   61.488
LGA    D    57_A      D    57_A     1.495     0    0.034   0.059     1.780   77.143   76.071
LGA    E    58_A      E    58_A     1.210     0    0.044   0.521     1.944   83.690   78.624
LGA    V    59_A      V    59_A     1.481     0    0.067   1.049     3.221   79.286   72.245
LGA    T    60_A      T    60_A     0.682     0    0.016   0.165     0.825   90.476   90.476
LGA    I    61_A      I    61_A     0.548     0    0.030   0.064     1.111   95.238   90.595
LGA    K    62_A      K    62_A     0.505     0    0.028   0.100     0.698   90.476   93.651
LGA    Y    63_A      Y    63_A     0.432     0    0.024   0.132     0.695  100.000   96.032
LGA    K    64_A      K    64_A     0.303     0    0.054   0.790     5.376  100.000   74.074
LGA    A    65_A      A    65_A     0.657     0    0.078   0.123     0.947   90.476   90.476
LGA    E    66_A      E    66_A     1.637     0    0.660   0.968     4.493   67.619   60.582
LGA    R    67_A      R    67_A     2.719     0    0.254   1.368    13.908   62.857   30.476
LGA    G    68_A      G    68_A     1.976     0    0.132   0.132     2.011   70.833   70.833
LGA    D    69_A      D    69_A     1.697     0    0.021   1.034     2.447   79.405   74.107
LGA    L    70_A      L    70_A     0.837     0    0.043   1.352     3.203   92.976   81.190
LGA    I    71_A      I    71_A     0.243     0    0.042   0.048     0.818  100.000   96.429
LGA    T    72_A      T    72_A     0.339     0    0.022   0.052     0.712  100.000   97.279
LGA    I    73_A      I    73_A     0.543     0    0.031   0.061     0.775   92.857   91.667
LGA    F    74_A      F    74_A     0.689     0    0.046   0.103     0.705   90.476   90.476
LGA    D    75_A      D    75_A     0.490     0    0.043   0.935     4.220   97.619   79.345
LGA    S    76_A      S    76_A     0.192     0    0.029   0.050     0.384  100.000  100.000
LGA    S    77_A      S    77_A     0.715     0    0.014   0.554     1.185   90.476   88.968
LGA    D    78_A      D    78_A     0.654     0    0.027   0.071     0.788   92.857   91.667
LGA    L    79_A      L    79_A     0.298     0    0.030   1.369     2.885  100.000   85.893
LGA    S    80_A      S    80_A     0.442     0    0.036   0.699     2.127  100.000   92.540
LGA    F    81_A      F    81_A     0.795     0    0.046   0.128     2.590   90.476   77.143
LGA    A    82_A      A    82_A     0.590     0    0.033   0.036     0.769   95.238   94.286
LGA    I    83_A      I    83_A     0.215     0    0.009   0.113     0.713  100.000   97.619
LGA    Q    84_A      Q    84_A     0.368     0    0.025   0.999     5.433  100.000   74.762
LGA    C    85_A      C    85_A     0.341     0    0.180   0.186     1.169   97.619   93.730
LGA    S    86_A      S    86_A     0.449     0    0.585   0.730     3.874   79.048   70.714
LGA    R    87_A      R    87_A     3.890     0    0.514   0.858     8.628   32.024   25.758
LGA    I    88_A      I    88_A     8.408     0    0.032   0.590    10.993    8.690    4.881
LGA    L    89_A      L    89_A    12.837     0    0.091   0.143    18.775    0.000    0.000
LGA    K    90_A      K    90_A    15.269     0    0.043   0.873    17.535    0.000    0.000
LGA    L    91_A      L    91_A    22.361     0    0.042   0.092    25.361    0.000    0.000
LGA    T    92_A      T    92_A    26.864     0    0.023   1.099    30.221    0.000    0.000
LGA    L    93_A      L    93_A    34.313     0    0.070   1.319    37.641    0.000    0.000
LGA    F    94_A      F    94_A    39.624     0    0.041   0.088    42.959    0.000    0.000
LGA    V    95_A      V    95_A    46.841     0    0.020   0.071    50.450    0.000    0.000
LGA    N    96_A      N    96_A    52.275     0    0.068   0.134    56.741    0.000    0.000
LGA    G    97_A      G    97_A    47.109     0    0.040   0.040    48.604    0.000    0.000
LGA    Q    98_A      Q    98_A    43.887     0    0.063   1.055    47.977    0.000    0.000
LGA    P    99_A      P    99_A    37.341     0    0.069   0.066    39.405    0.000    0.000
LGA    R   100_A      R   100_A    41.470     0    0.035   1.105    42.838    0.000    0.000
LGA    P   101_A      P   101_A    43.647     0    0.101   0.109    46.485    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):    12.602         12.650                 12.660           72.850   67.742

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.24    77.586    78.786     5.450

LGA_LOCAL      RMSD:   1.240  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.638  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.602  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.050178 * X  +   0.998735 * Y  +   0.003213 * Z  +  -7.639522
  Y_new =   0.379744 * X  +  -0.016103 * Y  +  -0.924951 * Z  +  42.459351
  Z_new =  -0.923730 * X  +   0.047632 * Y  +  -0.380072 * Z  +  -8.318717 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.439422  1.177706  3.016918   [DEG:   82.4728   67.4776  172.8567 ]
ZXZ:  0.003474  1.960670 -1.519277   [DEG:    0.1990  112.3381  -87.0481 ]
 
# END of job
