
#######################################################
#                                                     #
#                        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        4.54    13.91
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.91    14.33
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.75    14.41
  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     20   52   72   72   72   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     20   64   72   72   72   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     49   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     33   67   72   72   72   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     49   67   72   72   72   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     43   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     44   67   72   72   72   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   67   72   72   72   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     50   67   72   72   72   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     46   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     27   67   72   72   72   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     50   67   72   72   72   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      9   67   72   72   72   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     38   67   72   72   72   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     25   67   72   72   72   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     22   67   72   72   72   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     35   67   72   72   72   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      8   67   72   72   72   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     49   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     36   67   72   72   72   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      6   61   72   72   72   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     14   67   72   72   72   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     49   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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     50   67   72   72   72   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    9   16   29   66   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   12   14   14   14   16   26   33   49   66   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    89_A     L    89_A     14   75   78     10   12   14   14   14   14   16   16   16   17   19   20   27   34   41   53   75   75   76   76 
LCS_GDT     K    90_A     K    90_A     14   16   78     10   12   14   14   14   14   16   16   16   17   19   20   27   32   39   46   51   65   76   76 
LCS_GDT     L    91_A     L    91_A     14   16   78     10   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   25   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78     10   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19     10   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19     10   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   24   28   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19     10   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   24   26   28   30 
LCS_GDT     N    96_A     N    96_A     14   16   19      9   12   14   14   14   14   16   16   16   17   18   20   20   22   23   23   24   25   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19     10   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   24   26   28   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      7   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19     10   12   14   14   14   14   16   16   16   17   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    7   14   14   14   14   16   16   16   17   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    7    8   12   14   16   16   16   17   19   20   20   22   23   23   25   28   29   30 
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     50     67     72     72     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76     76 
GDT PERCENT_AT  57.47  77.01  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  86.21  86.21  87.36  87.36
GDT RMS_LOCAL    0.28   0.46   0.56   0.56   0.56   0.75   0.75   0.75   0.75   0.75   1.22   1.22   1.22   1.22   1.22   1.22   1.91   1.91   2.53   2.53
GDT RMS_ALL_AT  14.40  14.45  14.42  14.42  14.42  14.41  14.41  14.41  14.41  14.41  14.39  14.39  14.39  14.39  14.39  14.39  14.33  14.33  14.23  14.23

# 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:  D    69_A      D    69_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     1.192     0    0.511   1.307     7.299   74.167   53.122
LGA    L    16_A      L    16_A     1.179     0    0.014   0.084     1.283   85.952   83.690
LGA    I    17_A      I    17_A     0.569     0    0.052   0.641     2.831   95.238   87.560
LGA    I    18_A      I    18_A     0.167     0    0.015   0.104     0.693   97.619   98.810
LGA    K    19_A      K    19_A     0.367     0    0.066   0.322     2.194  100.000   90.899
LGA    A    20_A      A    20_A     0.285     0    0.010   0.031     0.517  100.000   98.095
LGA    Q    21_A      Q    21_A     0.210     0    0.011   0.092     0.498  100.000  100.000
LGA    L    22_A      L    22_A     0.444     0    0.060   0.077     1.012  100.000   94.107
LGA    G    23_A      G    23_A     0.400     0    0.030   0.030     0.558   97.619   97.619
LGA    E    24_A      E    24_A     0.419     0    0.020   0.998     5.196   97.619   77.407
LGA    D    25_A      D    25_A     0.322     0    0.067   0.928     3.811  100.000   80.476
LGA    I    26_A      I    26_A     0.542     0    0.077   0.126     1.090   90.595   91.726
LGA    R    27_A      R    27_A     0.916     0    0.046   1.083     4.348   90.476   81.775
LGA    R    28_A      R    28_A     0.778     0    0.043   0.919     4.096   90.476   74.069
LGA    I    29_A      I    29_A     0.792     0    0.012   0.424     1.217   92.857   89.405
LGA    P    30_A      P    30_A     0.674     0    0.019   0.062     0.970   92.857   91.837
LGA    I    31_A      I    31_A     0.334     0    0.052   0.524     1.359  100.000   94.167
LGA    H    32_A      H    32_A     0.696     0    0.200   0.260     1.554   88.214   84.190
LGA    N    33_A      N    33_A     0.651     0    0.021   0.802     2.959   90.476   79.940
LGA    E    34_A      E    34_A     0.436     0    0.049   0.478     2.449   97.619   90.847
LGA    D    35_A      D    35_A     0.609     0    0.034   1.227     3.907   92.857   77.500
LGA    I    36_A      I    36_A     0.314     0    0.044   0.060     0.713  100.000   96.429
LGA    T    37_A      T    37_A     0.251     0    0.017   0.121     0.558  100.000   98.639
LGA    Y    38_A      Y    38_A     0.227     0    0.015   0.104     0.456  100.000  100.000
LGA    D    39_A      D    39_A     0.323     0    0.034   0.071     0.908  100.000   95.238
LGA    E    40_A      E    40_A     0.314     0    0.014   0.197     0.697  100.000   98.942
LGA    L    41_A      L    41_A     0.185     0    0.029   0.088     0.306  100.000  100.000
LGA    V    42_A      V    42_A     0.093     0    0.028   0.050     0.186  100.000  100.000
LGA    L    43_A      L    43_A     0.120     0    0.033   0.064     0.375  100.000  100.000
LGA    M    44_A      M    44_A     0.124     0    0.057   0.739     2.054  100.000   89.881
LGA    M    45_A      M    45_A     0.119     0    0.038   0.100     0.286  100.000  100.000
LGA    Q    46_A      Q    46_A     0.067     0    0.028   0.244     0.725  100.000   98.942
LGA    R    47_A      R    47_A     0.081     0    0.043   1.290     5.452  100.000   79.827
LGA    V    48_A      V    48_A     0.392     0    0.123   1.263     2.598  100.000   87.483
LGA    F    49_A      F    49_A     0.198     0    0.029   0.091     0.544  100.000   98.268
LGA    R    50_A      R    50_A     0.218     0    0.550   1.325     5.780   85.119   71.688
LGA    G    51_A      G    51_A     1.178     0    0.077   0.077     1.458   85.952   85.952
LGA    K    52_A      K    52_A     0.531     0    0.208   0.738     2.225   92.857   87.725
LGA    L    53_A      L    53_A     1.051     0    0.081   0.081     1.378   83.690   84.821
LGA    L    54_A      L    54_A     0.713     0    0.070   0.134     1.204   90.476   89.345
LGA    S    55_A      S    55_A     0.928     0    0.095   0.130     1.259   88.214   88.968
LGA    N    56_A      N    56_A     1.034     0    0.026   0.680     2.731   85.952   81.786
LGA    D    57_A      D    57_A     0.639     0    0.087   0.125     0.892   90.476   94.048
LGA    E    58_A      E    58_A     1.026     0    0.042   0.507     2.512   88.214   80.794
LGA    V    59_A      V    59_A     0.499     0    0.069   0.084     0.722   97.619   95.918
LGA    T    60_A      T    60_A     0.213     0    0.042   0.262     0.976  100.000   98.639
LGA    I    61_A      I    61_A     0.230     0    0.010   0.092     0.599  100.000   98.810
LGA    K    62_A      K    62_A     0.174     0    0.062   0.143     0.687  100.000   98.942
LGA    Y    63_A      Y    63_A     0.295     0    0.015   0.130     0.795  100.000   96.825
LGA    K    64_A      K    64_A     0.236     0    0.039   0.810     4.455  100.000   80.000
LGA    A    65_A      A    65_A     0.286     0    0.034   0.038     0.456  100.000  100.000
LGA    E    66_A      E    66_A     0.745     0    0.640   0.839     3.045   80.357   83.968
LGA    R    67_A      R    67_A     1.684     0    0.290   1.230    10.515   79.405   41.905
LGA    G    68_A      G    68_A     0.853     0    0.105   0.105     1.142   88.214   88.214
LGA    D    69_A      D    69_A     0.710     0    0.019   1.113     3.490   95.238   81.250
LGA    L    70_A      L    70_A     0.448     0    0.113   0.154     1.056   92.976   96.488
LGA    I    71_A      I    71_A     0.229     0    0.015   0.648     2.365  100.000   95.595
LGA    T    72_A      T    72_A     0.266     0    0.017   0.046     0.377  100.000  100.000
LGA    I    73_A      I    73_A     0.367     0    0.024   0.114     0.573  100.000   97.619
LGA    F    74_A      F    74_A     0.201     0    0.040   1.287     6.107  100.000   67.836
LGA    D    75_A      D    75_A     0.177     0    0.060   0.169     0.750  100.000   98.810
LGA    S    76_A      S    76_A     0.111     0    0.059   0.053     0.308  100.000  100.000
LGA    S    77_A      S    77_A     0.464     0    0.054   0.501     0.928  100.000   96.825
LGA    D    78_A      D    78_A     0.295     0    0.017   0.063     0.602  100.000   98.810
LGA    L    79_A      L    79_A     0.070     0    0.014   0.023     0.314  100.000  100.000
LGA    S    80_A      S    80_A     0.317     0    0.018   0.053     0.736  100.000   98.413
LGA    F    81_A      F    81_A     0.399     0    0.038   0.063     0.977  100.000   93.939
LGA    A    82_A      A    82_A     0.218     0    0.047   0.045     0.299  100.000  100.000
LGA    I    83_A      I    83_A     0.382     0    0.056   0.110     0.745   97.619   95.238
LGA    Q    84_A      Q    84_A     0.474     0    0.022   0.945     5.127   97.619   74.709
LGA    C    85_A      C    85_A     0.295     0    0.148   0.168     1.243   92.976   92.143
LGA    S    86_A      S    86_A     0.493     0    0.593   0.748     4.112   75.476   68.333
LGA    R    87_A      R    87_A     4.253     0    0.467   1.327     8.815   27.619   35.844
LGA    I    88_A      I    88_A     8.395     0    0.192   0.611    10.737    7.976    4.940
LGA    L    89_A      L    89_A    12.923     0    0.068   0.150    19.010    0.000    0.000
LGA    K    90_A      K    90_A    15.066     0    0.034   0.567    17.446    0.000    2.540
LGA    L    91_A      L    91_A    22.304     0    0.043   0.067    25.494    0.000    0.000
LGA    T    92_A      T    92_A    26.562     0    0.048   1.085    29.944    0.000    0.000
LGA    L    93_A      L    93_A    34.065     0    0.081   1.020    35.579    0.000    0.000
LGA    F    94_A      F    94_A    39.161     0    0.014   0.100    42.653    0.000    0.000
LGA    V    95_A      V    95_A    46.353     0    0.015   0.024    49.984    0.000    0.000
LGA    N    96_A      N    96_A    51.803     0    0.023   0.073    56.029    0.000    0.000
LGA    G    97_A      G    97_A    46.773     0    0.018   0.018    48.236    0.000    0.000
LGA    Q    98_A      Q    98_A    43.348     0    0.036   1.046    47.438    0.000    0.000
LGA    P    99_A      P    99_A    36.710     0    0.681   0.634    38.670    0.000    0.000
LGA    R   100_A      R   100_A    39.928     0    0.396   1.303    42.087    0.000    0.000
LGA    P   101_A      P   101_A    42.796     0    0.700   0.588    44.811    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):    12.392         12.415                 12.421           79.295   74.811

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.75    82.184    81.620     8.589

LGA_LOCAL      RMSD:   0.750  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.414  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.392  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.973535 * X  +  -0.104878 * Y  +  -0.203050 * Z  + -11.649785
  Y_new =  -0.220741 * X  +  -0.201459 * Y  +  -0.954300 * Z  +  11.670128
  Z_new =   0.059179 * X  +   0.973866 * Y  +  -0.219278 * Z  +   4.478482 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.222971 -0.059214  1.792265   [DEG:  -12.7753   -3.3927  102.6892 ]
ZXZ: -0.209647  1.791871  0.060692   [DEG:  -12.0119  102.6666    3.4774 ]
 
# END of job
