
#######################################################
#                                                     #
#                        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        1.90    14.32
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.74    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     16   60   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     16   68   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     50   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     41   68   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     51   68   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     51   68   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     51   68   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     51   68   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     39   68   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     39   68   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     51   68   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     45   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     14   68   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     51   68   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      7   68   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     41   68   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     19   68   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     24   68   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     46   68   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   68   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     48   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     13   68   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     47   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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     51   68   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   30   65   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      9   12   14   14   14   16   26   33   43   63   74   74   74   74   74   74   75   75   76   76 
LCS_GDT     L    89_A     L    89_A     14   75   78      9   12   14   14   14   14   16   16   16   18   19   20   27   34   45   57   75   75   76   76 
LCS_GDT     K    90_A     K    90_A     14   16   78      9   12   14   14   14   14   16   16   16   18   19   20   27   32   39   46   51   64   76   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      9   12   14   14   14   14   16   16   16   18   19   20   20   22   23   23   25   28   29   34 
LCS_GDT     T    92_A     T    92_A     14   16   78      9   12   14   14   14   14   16   16   16   18   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   23   23   24   28   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   23   23   24   25   28   30 
LCS_GDT     N    96_A     N    96_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   20   22   23   23   24   25   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   23   23   24   25   28   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      7   12   14   14   14   14   16   16   16   18   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19      9   12   14   14   14   14   16   16   16   18   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   18   19   20   20   22   23   23   25   28   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    7    9   11   13   16   16   16   18   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     51     68     72     72     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76     76 
GDT PERCENT_AT  58.62  78.16  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    0.27   0.47   0.54   0.54   0.54   0.74   0.74   0.74   0.74   0.74   1.22   1.22   1.22   1.22   1.22   1.22   1.90   1.90   2.54   2.54
GDT RMS_ALL_AT  14.40  14.43  14.41  14.41  14.41  14.41  14.41  14.41  14.41  14.41  14.38  14.38  14.38  14.38  14.38  14.38  14.32  14.32  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:  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     1.142     0    0.485   1.283     7.875   73.571   52.116
LGA    L    16_A      L    16_A     1.127     0    0.013   0.094     1.190   85.952   83.690
LGA    I    17_A      I    17_A     0.580     0    0.019   0.662     2.994   95.238   87.560
LGA    I    18_A      I    18_A     0.207     0    0.023   0.067     0.594   97.619   97.619
LGA    K    19_A      K    19_A     0.319     0    0.054   0.218     1.798  100.000   92.804
LGA    A    20_A      A    20_A     0.313     0    0.015   0.017     0.553  100.000   98.095
LGA    Q    21_A      Q    21_A     0.242     0    0.017   0.105     0.489  100.000  100.000
LGA    L    22_A      L    22_A     0.496     0    0.056   0.074     1.053  100.000   94.107
LGA    G    23_A      G    23_A     0.385     0    0.022   0.022     0.402  100.000  100.000
LGA    E    24_A      E    24_A     0.411     0    0.040   0.900     4.859   97.619   78.942
LGA    D    25_A      D    25_A     0.323     0    0.048   0.900     3.665  100.000   80.476
LGA    I    26_A      I    26_A     0.480     0    0.028   0.075     0.859   95.238   96.429
LGA    R    27_A      R    27_A     0.846     0    0.040   1.088     4.843   90.476   78.225
LGA    R    28_A      R    28_A     0.730     0    0.053   0.928     4.204   90.476   73.463
LGA    I    29_A      I    29_A     0.724     0    0.012   0.443     1.449   92.857   89.405
LGA    P    30_A      P    30_A     0.558     0    0.030   0.058     0.959   95.238   93.197
LGA    I    31_A      I    31_A     0.320     0    0.046   0.555     1.609  100.000   93.095
LGA    H    32_A      H    32_A     0.689     0    0.114   0.242     1.566   90.476   86.905
LGA    N    33_A      N    33_A     0.721     0    0.062   0.778     2.866   92.857   81.131
LGA    E    34_A      E    34_A     0.355     0    0.020   0.400     1.988  100.000   95.926
LGA    D    35_A      D    35_A     0.648     0    0.034   1.220     3.812   90.476   77.202
LGA    I    36_A      I    36_A     0.296     0    0.035   0.100     0.679  100.000   97.619
LGA    T    37_A      T    37_A     0.232     0    0.020   0.065     0.374  100.000  100.000
LGA    Y    38_A      Y    38_A     0.299     0    0.005   0.115     0.469  100.000  100.000
LGA    D    39_A      D    39_A     0.322     0    0.017   0.065     0.883  100.000   95.238
LGA    E    40_A      E    40_A     0.274     0    0.024   0.050     0.310  100.000  100.000
LGA    L    41_A      L    41_A     0.202     0    0.017   0.050     0.238  100.000  100.000
LGA    V    42_A      V    42_A     0.187     0    0.013   0.035     0.226  100.000  100.000
LGA    L    43_A      L    43_A     0.089     0    0.019   0.047     0.284  100.000  100.000
LGA    M    44_A      M    44_A     0.141     0    0.045   0.674     1.971  100.000   89.821
LGA    M    45_A      M    45_A     0.124     0    0.058   0.069     0.286  100.000  100.000
LGA    Q    46_A      Q    46_A     0.077     0    0.026   0.195     0.627  100.000   98.942
LGA    R    47_A      R    47_A     0.053     0    0.045   1.287     5.445  100.000   80.693
LGA    V    48_A      V    48_A     0.363     0    0.082   1.242     2.590  100.000   87.483
LGA    F    49_A      F    49_A     0.363     0    0.014   0.054     0.505  100.000   99.134
LGA    R    50_A      R    50_A     0.231     0    0.550   1.322     5.768   85.119   72.468
LGA    G    51_A      G    51_A     1.091     0    0.096   0.096     1.414   85.952   85.952
LGA    K    52_A      K    52_A     0.501     0    0.045   0.813     2.668   95.238   86.878
LGA    L    53_A      L    53_A     0.994     0    0.083   0.086     1.483   85.952   85.952
LGA    L    54_A      L    54_A     0.714     0    0.066   0.107     1.145   90.476   89.345
LGA    S    55_A      S    55_A     0.945     0    0.021   0.121     1.224   88.214   88.968
LGA    N    56_A      N    56_A     1.021     0    0.040   0.540     2.474   85.952   82.738
LGA    D    57_A      D    57_A     0.612     0    0.020   0.079     0.864   90.476   95.238
LGA    E    58_A      E    58_A     1.010     0    0.051   0.503     2.341   88.214   82.593
LGA    V    59_A      V    59_A     0.523     0    0.009   0.041     0.729   95.238   94.558
LGA    T    60_A      T    60_A     0.182     0    0.030   0.185     0.807  100.000   98.639
LGA    I    61_A      I    61_A     0.229     0    0.013   0.037     0.521  100.000   98.810
LGA    K    62_A      K    62_A     0.179     0    0.038   0.145     0.432  100.000  100.000
LGA    Y    63_A      Y    63_A     0.294     0    0.023   0.159     0.961  100.000   96.825
LGA    K    64_A      K    64_A     0.228     0    0.035   0.754     4.130  100.000   80.000
LGA    A    65_A      A    65_A     0.298     0    0.017   0.019     0.375  100.000  100.000
LGA    E    66_A      E    66_A     0.696     0    0.642   0.793     2.915   82.143   84.762
LGA    R    67_A      R    67_A     1.604     0    0.251   1.216    10.506   81.548   43.333
LGA    G    68_A      G    68_A     0.888     0    0.089   0.089     1.135   88.214   88.214
LGA    D    69_A      D    69_A     0.747     0    0.015   1.035     3.667   95.238   80.417
LGA    L    70_A      L    70_A     0.389     0    0.044   0.105     0.731   95.238   97.619
LGA    I    71_A      I    71_A     0.313     0    0.016   0.634     2.345  100.000   95.595
LGA    T    72_A      T    72_A     0.215     0    0.016   0.037     0.278  100.000  100.000
LGA    I    73_A      I    73_A     0.377     0    0.080   0.085     0.498  100.000  100.000
LGA    F    74_A      F    74_A     0.181     0    0.040   1.293     6.060  100.000   67.836
LGA    D    75_A      D    75_A     0.187     0    0.020   0.136     0.426  100.000  100.000
LGA    S    76_A      S    76_A     0.174     0    0.040   0.035     0.275  100.000  100.000
LGA    S    77_A      S    77_A     0.437     0    0.020   0.557     1.247  100.000   95.317
LGA    D    78_A      D    78_A     0.244     0    0.015   0.080     0.322  100.000  100.000
LGA    L    79_A      L    79_A     0.068     0    0.015   0.072     0.585  100.000   98.810
LGA    S    80_A      S    80_A     0.356     0    0.021   0.027     0.542  100.000   98.413
LGA    F    81_A      F    81_A     0.408     0    0.017   0.065     1.007  100.000   93.117
LGA    A    82_A      A    82_A     0.196     0    0.023   0.024     0.356  100.000  100.000
LGA    I    83_A      I    83_A     0.329     0    0.033   0.123     0.767   97.619   96.429
LGA    Q    84_A      Q    84_A     0.453     0    0.080   0.920     5.152   97.619   74.709
LGA    C    85_A      C    85_A     0.320     0    0.158   0.167     1.361   92.976   92.143
LGA    S    86_A      S    86_A     0.527     0    0.612   0.727     4.072   73.095   66.746
LGA    R    87_A      R    87_A     4.229     0    0.477   1.305     8.888   27.619   36.753
LGA    I    88_A      I    88_A     8.447     0    0.104   0.600    10.695    7.976    4.762
LGA    L    89_A      L    89_A    12.924     0    0.052   0.184    19.055    0.000    0.000
LGA    K    90_A      K    90_A    15.132     0    0.025   0.487    17.510    0.000    1.905
LGA    L    91_A      L    91_A    22.319     0    0.019   0.065    25.453    0.000    0.000
LGA    T    92_A      T    92_A    26.563     0    0.058   1.100    30.001    0.000    0.000
LGA    L    93_A      L    93_A    34.035     0    0.046   0.977    35.586    0.000    0.000
LGA    F    94_A      F    94_A    39.207     0    0.041   0.117    42.815    0.000    0.000
LGA    V    95_A      V    95_A    46.311     0    0.026   0.052    50.015    0.000    0.000
LGA    N    96_A      N    96_A    51.649     0    0.049   0.114    56.092    0.000    0.000
LGA    G    97_A      G    97_A    46.692     0    0.058   0.058    48.024    0.000    0.000
LGA    Q    98_A      Q    98_A    43.314     0    0.055   1.060    47.426    0.000    0.000
LGA    P    99_A      P    99_A    36.733     0    0.671   0.593    38.672    0.000    0.000
LGA    R   100_A      R   100_A    40.009     0    0.391   1.202    41.838    0.000    0.000
LGA    P   101_A      P   101_A    42.798     0    0.672   0.583    44.694    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):    12.388         12.415                 12.420           79.520   75.117

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.74    82.471    81.711     8.718

LGA_LOCAL      RMSD:   0.737  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.407  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.388  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.973411 * X  +  -0.104732 * Y  +  -0.203723 * Z  + -11.650551
  Y_new =  -0.221415 * X  +  -0.202233 * Y  +  -0.953980 * Z  +  11.675917
  Z_new =   0.058712 * X  +   0.973721 * Y  +  -0.220045 * Z  +   4.476685 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.223658 -0.058746  1.793047   [DEG:  -12.8147   -3.3659  102.7340 ]
ZXZ: -0.210391  1.792657  0.060224   [DEG:  -12.0545  102.7117    3.4506 ]
 
# END of job
