
#######################################################
#                                                     #
#                        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    14.05
  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    14.47
  LCS_AVERAGE:     76.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.76    14.57
  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      8   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     37   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     44   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     35   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     35   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     42   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     35   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     40   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     40   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     27   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     32   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     24   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     17   56   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     44   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    51_A     G    51_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      6   33   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      6   33   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    55_A     S    55_A     73   75   78     13   60   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     N    56_A     N    56_A     73   75   78     29   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     29   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    58_A     E    58_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     31   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     E    66_A     E    66_A     73   75   78     16   59   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    67_A     R    67_A     73   75   78      5   13   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     G    68_A     G    68_A     73   75   78      9   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    69_A     D    69_A     73   75   78      9   63   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     44   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     45   65   72   72   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      4   13   24   49   73   73   73   73   73   73   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     I    88_A     I    88_A     14   75   78     10   13   14   14   14   20   29   38   49   66   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    89_A     L    89_A     14   75   78     10   13   14   14   14   14   14   16   16   17   19   20   27   35   45   57   75   75   76   76 
LCS_GDT     K    90_A     K    90_A     14   15   78     10   13   14   14   14   14   14   16   16   17   19   20   27   30   37   44   52   65   76   76 
LCS_GDT     L    91_A     L    91_A     14   15   78     10   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   27   29   31 
LCS_GDT     T    92_A     T    92_A     14   15   78     10   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   27   29   30 
LCS_GDT     L    93_A     L    93_A     14   15   19     10   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   27   29   29 
LCS_GDT     F    94_A     F    94_A     14   15   19     10   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   27   29   29 
LCS_GDT     V    95_A     V    95_A     14   15   19     10   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   25   27   29 
LCS_GDT     N    96_A     N    96_A     14   15   19     10   13   14   14   14   14   14   16   16   16   19   20   20   21   22   22   25   25   25   29 
LCS_GDT     G    97_A     G    97_A     14   15   19     10   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   25   27   29 
LCS_GDT     Q    98_A     Q    98_A     14   15   19      4   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   27   29   29 
LCS_GDT     P    99_A     P    99_A     14   15   19      3   13   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   27   29   29 
LCS_GDT     R   100_A     R   100_A     14   15   19      3    6   14   14   14   14   14   16   16   17   19   20   20   21   22   23   25   25   29   29 
LCS_GDT     P   101_A     P   101_A      3   15   19      3    3    3    3    8   10   12   16   16   17   19   20   20   21   22   23   25   27   29   29 
LCS_AVERAGE  LCS_A:  77.39  (  72.85   76.69   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     45     65     72     72     73     73     73     73     73     73     74     74     74     74     74     74     75     75     76     76 
GDT PERCENT_AT  51.72  74.71  82.76  82.76  83.91  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  87.36
GDT RMS_LOCAL    0.29   0.48   0.62   0.62   0.76   0.76   0.76   0.76   0.76   0.76   1.23   1.23   1.23   1.23   1.23   1.23   1.90   1.90   2.53   2.53
GDT RMS_ALL_AT  14.56  14.56  14.58  14.58  14.57  14.57  14.57  14.57  14.57  14.57  14.54  14.54  14.54  14.54  14.54  14.54  14.47  14.47  14.38  14.38

# Checking swapping
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_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     0.786     0    0.460   1.139     7.500   86.071   55.608
LGA    L    16_A      L    16_A     0.946     0    0.018   0.105     2.154   88.214   80.595
LGA    I    17_A      I    17_A     0.582     0    0.018   0.104     0.911   90.476   91.667
LGA    I    18_A      I    18_A     0.651     0    0.020   0.063     0.928   90.476   90.476
LGA    K    19_A      K    19_A     0.717     0    0.034   0.342     3.187   92.857   81.217
LGA    A    20_A      A    20_A     0.198     0    0.027   0.033     0.434  100.000  100.000
LGA    Q    21_A      Q    21_A     0.178     0    0.028   0.091     0.423  100.000  100.000
LGA    L    22_A      L    22_A     0.395     0    0.061   0.075     0.746   97.619   95.238
LGA    G    23_A      G    23_A     0.708     0    0.015   0.015     0.720   90.476   90.476
LGA    E    24_A      E    24_A     0.824     0    0.043   0.829     3.789   90.476   78.519
LGA    D    25_A      D    25_A     0.346     0    0.007   0.811     3.702  100.000   82.262
LGA    I    26_A      I    26_A     0.304     0    0.017   0.123     0.559   97.619   97.619
LGA    R    27_A      R    27_A     0.701     0    0.030   1.095     3.884   90.476   82.987
LGA    R    28_A      R    28_A     0.736     0    0.031   1.210     6.936   90.476   65.887
LGA    I    29_A      I    29_A     0.801     0    0.090   0.974     2.756   90.476   81.845
LGA    P    30_A      P    30_A     0.880     0    0.076   0.106     1.220   85.952   85.306
LGA    I    31_A      I    31_A     0.995     0    0.043   0.633     4.078   88.214   78.333
LGA    H    32_A      H    32_A     1.535     0    0.172   0.861     4.894   75.119   63.143
LGA    N    33_A      N    33_A     0.573     0    0.045   0.813     4.045   90.476   75.536
LGA    E    34_A      E    34_A     0.462     0    0.032   0.414     1.985   97.619   91.693
LGA    D    35_A      D    35_A     0.221     0    0.027   1.196     4.177  100.000   82.381
LGA    I    36_A      I    36_A     0.120     0    0.027   0.053     0.514  100.000   98.810
LGA    T    37_A      T    37_A     0.082     0    0.033   0.088     0.312  100.000  100.000
LGA    Y    38_A      Y    38_A     0.251     0    0.039   0.080     0.536  100.000   99.206
LGA    D    39_A      D    39_A     0.345     0    0.006   0.055     0.808  100.000   96.429
LGA    E    40_A      E    40_A     0.192     0    0.054   0.123     0.491  100.000  100.000
LGA    L    41_A      L    41_A     0.086     0    0.020   0.081     0.356  100.000  100.000
LGA    V    42_A      V    42_A     0.266     0    0.026   1.333     2.774  100.000   88.844
LGA    L    43_A      L    43_A     0.280     0    0.044   1.244     2.567  100.000   90.238
LGA    M    44_A      M    44_A     0.133     0    0.011   0.768     2.191  100.000   88.810
LGA    M    45_A      M    45_A     0.093     0    0.063   0.095     0.291  100.000  100.000
LGA    Q    46_A      Q    46_A     0.254     0    0.062   0.299     1.130  100.000   95.820
LGA    R    47_A      R    47_A     0.402     0    0.011   1.474     9.580  100.000   58.312
LGA    V    48_A      V    48_A     0.312     0    0.035   0.050     0.411  100.000  100.000
LGA    F    49_A      F    49_A     0.041     0    0.027   0.117     0.328  100.000  100.000
LGA    R    50_A      R    50_A     0.516     0    0.175   1.080     4.065   95.238   78.745
LGA    G    51_A      G    51_A     0.412     0    0.075   0.075     0.412  100.000  100.000
LGA    K    52_A      K    52_A     0.262     0    0.026   0.926     3.226   95.238   82.646
LGA    L    53_A      L    53_A     1.287     0    0.105   1.253     3.094   77.143   73.274
LGA    L    54_A      L    54_A     1.303     0    0.057   1.247     3.488   81.429   76.429
LGA    S    55_A      S    55_A     1.148     0    0.025   0.659     3.248   85.952   79.206
LGA    N    56_A      N    56_A     0.787     0    0.047   0.657     1.770   92.857   88.333
LGA    D    57_A      D    57_A     0.605     0    0.016   0.080     0.912   90.476   90.476
LGA    E    58_A      E    58_A     0.577     0    0.077   0.590     2.956   92.857   77.566
LGA    V    59_A      V    59_A     0.485     0    0.014   1.328     2.545   97.619   86.395
LGA    T    60_A      T    60_A     0.395     0    0.056   0.172     0.736   97.619   97.279
LGA    I    61_A      I    61_A     0.334     0    0.017   0.053     0.689  100.000   96.429
LGA    K    62_A      K    62_A     0.161     0    0.032   0.127     0.371  100.000  100.000
LGA    Y    63_A      Y    63_A     0.207     0    0.026   0.135     0.563  100.000   99.206
LGA    K    64_A      K    64_A     0.135     0    0.027   0.615     2.835   97.619   80.529
LGA    A    65_A      A    65_A     0.804     0    0.034   0.043     1.018   92.857   90.571
LGA    E    66_A      E    66_A     1.305     0    0.647   0.612     3.591   69.762   74.444
LGA    R    67_A      R    67_A     1.538     0    0.213   1.317    11.189   83.810   43.766
LGA    G    68_A      G    68_A     0.952     0    0.099   0.099     1.032   85.952   85.952
LGA    D    69_A      D    69_A     1.135     0    0.016   0.366     1.847   88.333   80.595
LGA    L    70_A      L    70_A     0.316     0    0.080   1.345     2.824   97.619   85.536
LGA    I    71_A      I    71_A     0.129     0    0.025   0.069     0.381  100.000  100.000
LGA    T    72_A      T    72_A     0.158     0    0.013   0.033     0.349  100.000  100.000
LGA    I    73_A      I    73_A     0.349     0    0.046   0.067     0.486  100.000  100.000
LGA    F    74_A      F    74_A     0.338     0    0.042   0.132     0.539  100.000   99.134
LGA    D    75_A      D    75_A     0.374     0    0.017   0.222     0.765  100.000   98.810
LGA    S    76_A      S    76_A     0.401     0    0.058   0.054     0.470  100.000  100.000
LGA    S    77_A      S    77_A     0.691     0    0.021   0.680     1.775   95.238   89.206
LGA    D    78_A      D    78_A     0.371     0    0.023   0.083     0.500   97.619   98.810
LGA    L    79_A      L    79_A     0.271     0    0.034   0.081     0.354  100.000  100.000
LGA    S    80_A      S    80_A     0.359     0    0.044   0.047     0.469  100.000  100.000
LGA    F    81_A      F    81_A     0.342     0    0.022   0.259     0.824  100.000   96.537
LGA    A    82_A      A    82_A     0.336     0    0.033   0.034     0.507   97.619   98.095
LGA    I    83_A      I    83_A     0.468     0    0.018   0.115     0.895   97.619   94.048
LGA    Q    84_A      Q    84_A     0.479     0    0.189   0.903     4.412   92.976   75.926
LGA    C    85_A      C    85_A     0.588     0    0.090   0.081     1.048   95.238   92.143
LGA    S    86_A      S    86_A     0.340     0    0.612   0.822     4.390   82.857   73.571
LGA    R    87_A      R    87_A     3.718     0    0.546   1.436    10.986   30.595   18.268
LGA    I    88_A      I    88_A     8.487     0    0.074   0.584    11.732    7.976    4.405
LGA    L    89_A      L    89_A    12.731     0    0.049   0.111    18.705    0.000    0.000
LGA    K    90_A      K    90_A    15.070     0    0.014   0.504    17.524    0.000    2.222
LGA    L    91_A      L    91_A    22.318     0    0.014   1.253    24.369    0.000    0.000
LGA    T    92_A      T    92_A    26.605     0    0.047   1.075    30.060    0.000    0.000
LGA    L    93_A      L    93_A    34.125     0    0.039   1.077    35.746    0.000    0.000
LGA    F    94_A      F    94_A    39.502     0    0.016   0.080    42.937    0.000    0.000
LGA    V    95_A      V    95_A    46.749     0    0.020   1.332    48.594    0.000    0.000
LGA    N    96_A      N    96_A    52.164     0    0.060   0.103    56.548    0.000    0.000
LGA    G    97_A      G    97_A    47.149     0    0.110   0.110    48.529    0.000    0.000
LGA    Q    98_A      Q    98_A    44.235     0    0.084   1.296    49.850    0.000    0.000
LGA    P    99_A      P    99_A    37.748     0    0.677   0.603    39.817    0.000    0.000
LGA    R   100_A      R   100_A    40.246     0    0.369   1.485    42.397    0.000    0.000
LGA    P   101_A      P   101_A    43.572     0    0.152   0.163    45.438    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):    12.511         12.530                 12.599           78.773   73.285

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.76    81.609    81.474     8.503

LGA_LOCAL      RMSD:   0.758  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.568  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.511  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.066315 * X  +  -0.637596 * Y  +  -0.767511 * Z  + -13.843086
  Y_new =   0.654221 * X  +  -0.553006 * Y  +   0.515926 * Z  +  13.336581
  Z_new =  -0.753391 * X  +  -0.536335 * Y  +   0.380456 * Z  +   0.243206 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.469777  0.853204 -0.953814   [DEG:   84.2120   48.8850  -54.6495 ]
ZXZ: -2.162624  1.180507 -2.189461   [DEG: -123.9092   67.6381 -125.4469 ]
 
# END of job
