
#######################################################
#                                                     #
#                        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        4.52    16.47
  LCS_AVERAGE:     82.05

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.92    16.87
  LCS_AVERAGE:     75.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.81    16.96
  LCS_AVERAGE:     71.85

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     54   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     53   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     73   75   78     33   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      5    8   64   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      5    8   54   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     73   75   78      5    8   57   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     73   75   78     22   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     54   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     73   75   78     31   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     31   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     31   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     73   75   78     22   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     73   75   78     22   60   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     53   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     56   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     33   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     73   75   78      5   68   69   72   72   72   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      4   10   24   37   66   71   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     10   75   78      9   10   10   10   11   21   29   33   46   63   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     10   75   78      9   10   10   10   10   10   12   14   14   14   15   19   28   34   41   54   68   75   75   76 
LCS_GDT     K    90_A     K    90_A     10   11   78      9   10   10   10   10   10   12   14   14   14   15   19   28   30   36   46   52   60   75   76 
LCS_GDT     L    91_A     L    91_A     10   11   78      9   10   10   10   10   10   12   14   14   14   15   17   17   19   19   22   23   24   26   32 
LCS_GDT     T    92_A     T    92_A     10   11   78      9   10   10   10   10   10   12   14   14   14   15   17   17   19   19   22   23   24   26   27 
LCS_GDT     L    93_A     L    93_A     10   11   16      9   10   10   10   10   10   12   14   14   14   15   17   17   19   19   22   23   24   26   27 
LCS_GDT     F    94_A     F    94_A     10   11   16      9   10   10   10   10   10   12   14   14   14   15   17   17   19   19   22   23   24   25   27 
LCS_GDT     V    95_A     V    95_A     10   11   16      9   10   10   10   10   10   12   14   14   14   15   17   17   19   19   22   23   24   26   27 
LCS_GDT     N    96_A     N    96_A     10   11   16      9   10   10   10   10   10   10   14   14   14   15   17   17   19   19   22   23   24   25   27 
LCS_GDT     G    97_A     G    97_A      4    5   16      3    3    4    4    5    7   10   14   14   14   15   17   17   19   19   22   23   24   26   27 
LCS_GDT     Q    98_A     Q    98_A      4    5   16      3    3    4    4    4    5    5    5    9   12   14   16   17   19   19   22   23   24   26   27 
LCS_GDT     P    99_A     P    99_A      4    5   16      3    3    4    4    4    5    5    5    6    6    7    9    9   17   19   21   23   24   26   27 
LCS_GDT     R   100_A     R   100_A      4    5    7      3    3    4    4    4    5    5    5    6    6    6    9    9   14   18   20   23   24   25   27 
LCS_GDT     P   101_A     P   101_A      3    3    7      3    3    3    3    3    5    5    5    6    6    6    7    7    9   10   10   11   23   25   27 
LCS_AVERAGE  LCS_A:  76.51  (  71.85   75.64   82.05 )

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     56     68     69     72     72     72     73     73     73     73     74     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  64.37  78.16  79.31  82.76  82.76  82.76  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.28   0.45   0.48   0.65   0.65   0.65   0.81   0.81   0.81   0.81   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.92   1.92   2.54
GDT RMS_ALL_AT  16.97  16.97  16.96  16.96  16.96  16.96  16.96  16.96  16.96  16.96  16.93  16.93  16.93  16.93  16.93  16.93  16.93  16.87  16.87  16.79

# Checking swapping
#   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    66_A      E    66_A
#   possible swapping detected:  F    81_A      F    81_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     0.569     0    0.495   1.075     6.739   81.786   52.910
LGA    L    16_A      L    16_A     0.471     0    0.010   0.124     0.764   97.619   95.238
LGA    I    17_A      I    17_A     0.329     0    0.046   0.673     2.466  100.000   94.405
LGA    I    18_A      I    18_A     0.104     0    0.016   0.122     0.453  100.000  100.000
LGA    K    19_A      K    19_A     0.283     0    0.047   0.697     3.421  100.000   84.603
LGA    A    20_A      A    20_A     0.168     0    0.017   0.031     0.297  100.000  100.000
LGA    Q    21_A      Q    21_A     0.169     0    0.015   0.125     0.380  100.000  100.000
LGA    L    22_A      L    22_A     0.389     0    0.044   0.064     0.943  100.000   95.238
LGA    G    23_A      G    23_A     0.278     0    0.026   0.026     0.338  100.000  100.000
LGA    E    24_A      E    24_A     0.276     0    0.012   0.721     1.783  100.000   88.889
LGA    D    25_A      D    25_A     0.360     0    0.043   0.853     3.623  100.000   80.476
LGA    I    26_A      I    26_A     0.585     0    0.079   0.102     1.089   88.214   89.345
LGA    R    27_A      R    27_A     0.745     0    0.038   0.936     3.540   90.476   81.342
LGA    R    28_A      R    28_A     0.585     0    0.031   1.305     6.246   95.238   73.810
LGA    I    29_A      I    29_A     0.354     0    0.041   0.484     1.267  100.000   96.488
LGA    P    30_A      P    30_A     0.418     0    0.029   0.055     0.510  100.000   97.279
LGA    I    31_A      I    31_A     0.227     0    0.014   0.547     1.445  100.000   96.488
LGA    H    32_A      H    32_A     0.310     0    0.186   1.163     2.714   95.357   85.714
LGA    N    33_A      N    33_A     0.467     0    0.015   0.811     3.110   97.619   82.619
LGA    E    34_A      E    34_A     0.394     0    0.045   0.280     1.859  100.000   90.847
LGA    D    35_A      D    35_A     0.344     0    0.036   1.226     4.117   97.619   81.190
LGA    I    36_A      I    36_A     0.356     0    0.021   0.100     0.768   97.619   95.238
LGA    T    37_A      T    37_A     0.354     0    0.021   0.121     0.460  100.000  100.000
LGA    Y    38_A      Y    38_A     0.460     0    0.024   0.074     0.472  100.000  100.000
LGA    D    39_A      D    39_A     0.450     0    0.030   0.066     0.693  100.000   96.429
LGA    E    40_A      E    40_A     0.289     0    0.016   0.146     0.478  100.000  100.000
LGA    L    41_A      L    41_A     0.221     0    0.032   0.062     0.340  100.000  100.000
LGA    V    42_A      V    42_A     0.337     0    0.025   0.048     0.467  100.000  100.000
LGA    L    43_A      L    43_A     0.321     0    0.031   1.362     3.234  100.000   83.988
LGA    M    44_A      M    44_A     0.171     0    0.058   1.078     1.957  100.000   89.821
LGA    M    45_A      M    45_A     0.228     0    0.032   0.110     0.392  100.000  100.000
LGA    Q    46_A      Q    46_A     0.309     0    0.017   0.317     1.098  100.000   95.820
LGA    R    47_A      R    47_A     0.246     0    0.041   1.311     5.664  100.000   78.745
LGA    V    48_A      V    48_A     0.104     0    0.091   1.239     2.473  100.000   89.932
LGA    F    49_A      F    49_A     0.279     0    0.030   0.057     0.468  100.000  100.000
LGA    R    50_A      R    50_A     0.227     0    0.555   1.275     5.988   85.119   72.727
LGA    G    51_A      G    51_A     1.163     0    0.139   0.139     1.411   83.690   83.690
LGA    K    52_A      K    52_A     0.278     0    0.108   0.836     2.470   95.238   88.783
LGA    L    53_A      L    53_A     1.893     0    0.124   1.388     3.524   69.048   65.238
LGA    L    54_A      L    54_A     2.329     0    0.064   0.106     3.179   66.786   62.024
LGA    S    55_A      S    55_A     2.270     0    0.074   0.104     2.615   68.810   66.190
LGA    N    56_A      N    56_A     0.840     0    0.032   1.199     5.120   90.595   73.988
LGA    D    57_A      D    57_A     0.420     0    0.035   0.108     0.972   92.857   92.857
LGA    E    58_A      E    58_A     0.814     0    0.033   0.721     3.077   92.857   84.074
LGA    V    59_A      V    59_A     0.736     0    0.047   0.078     0.866   90.476   90.476
LGA    T    60_A      T    60_A     0.640     0    0.057   0.203     0.745   90.476   90.476
LGA    I    61_A      I    61_A     0.225     0    0.006   0.099     0.411  100.000  100.000
LGA    K    62_A      K    62_A     0.172     0    0.057   0.137     0.439  100.000  100.000
LGA    Y    63_A      Y    63_A     0.251     0    0.015   0.139     0.920  100.000   96.032
LGA    K    64_A      K    64_A     0.204     0    0.027   0.793     4.265  100.000   80.000
LGA    A    65_A      A    65_A     0.378     0    0.035   0.042     0.516   95.238   96.190
LGA    E    66_A      E    66_A     0.956     0    0.638   0.875     3.200   78.095   80.000
LGA    R    67_A      R    67_A     1.592     0    0.292   1.457    11.139   81.548   42.987
LGA    G    68_A      G    68_A     0.752     0    0.104   0.104     0.994   90.476   90.476
LGA    D    69_A      D    69_A     0.589     0    0.022   1.043     3.517   95.238   81.548
LGA    L    70_A      L    70_A     0.380     0    0.103   0.152     0.809   97.619   97.619
LGA    I    71_A      I    71_A     0.186     0    0.013   0.110     0.322  100.000  100.000
LGA    T    72_A      T    72_A     0.230     0    0.017   0.068     0.413  100.000  100.000
LGA    I    73_A      I    73_A     0.333     0    0.018   0.065     0.534   97.619   98.810
LGA    F    74_A      F    74_A     0.388     0    0.031   0.066     0.413  100.000  100.000
LGA    D    75_A      D    75_A     0.324     0    0.053   0.092     0.401  100.000  100.000
LGA    S    76_A      S    76_A     0.300     0    0.057   0.055     0.455  100.000  100.000
LGA    S    77_A      S    77_A     0.447     0    0.059   0.541     1.194  100.000   95.317
LGA    D    78_A      D    78_A     0.293     0    0.018   0.074     0.618  100.000   97.619
LGA    L    79_A      L    79_A     0.243     0    0.013   0.054     0.324  100.000  100.000
LGA    S    80_A      S    80_A     0.230     0    0.011   0.698     2.581  100.000   92.857
LGA    F    81_A      F    81_A     0.255     0    0.040   0.074     0.813  100.000   94.805
LGA    A    82_A      A    82_A     0.292     0    0.041   0.039     0.436  100.000  100.000
LGA    I    83_A      I    83_A     0.393     0    0.010   0.069     0.622   97.619   96.429
LGA    Q    84_A      Q    84_A     0.445     0    0.055   0.920     4.486   95.238   78.360
LGA    C    85_A      C    85_A     0.726     0    0.118   0.138     1.649   83.810   86.032
LGA    S    86_A      S    86_A     1.008     0    0.597   0.734     3.893   70.000   64.683
LGA    R    87_A      R    87_A     4.143     0    0.469   1.050     8.796   27.619   35.238
LGA    I    88_A      I    88_A     8.409     0    0.140   0.603    11.036    7.976    4.762
LGA    L    89_A      L    89_A    12.784     0    0.051   0.126    18.900    0.000    0.000
LGA    K    90_A      K    90_A    14.996     0    0.020   0.550    17.362    0.000    2.222
LGA    L    91_A      L    91_A    22.211     0    0.017   0.066    25.484    0.000    0.000
LGA    T    92_A      T    92_A    26.428     0    0.041   1.062    29.872    0.000    0.000
LGA    L    93_A      L    93_A    33.938     0    0.053   0.073    35.826    0.000    0.000
LGA    F    94_A      F    94_A    39.220     0    0.028   0.065    42.705    0.000    0.000
LGA    V    95_A      V    95_A    46.373     0    0.016   0.064    49.935    0.000    0.000
LGA    N    96_A      N    96_A    52.014     0    0.256   0.796    55.679    0.000    0.000
LGA    G    97_A      G    97_A    51.977     0    0.609   0.609    52.420    0.000    0.000
LGA    Q    98_A      Q    98_A    54.193     0    0.031   1.274    59.336    0.000    0.000
LGA    P    99_A      P    99_A    52.891     0    0.570   0.530    54.643    0.000    0.000
LGA    R   100_A      R   100_A    57.261     0    0.362   1.431    59.533    0.000    0.000
LGA    P   101_A      P   101_A    63.760     0    0.693   0.593    66.146    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):    14.360         14.456                 14.445           79.145   74.475

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.81    82.471    81.059     8.023

LGA_LOCAL      RMSD:   0.810  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.960  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  14.360  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.517652 * X  +  -0.753229 * Y  +   0.405810 * Z  + -10.233172
  Y_new =   0.163385 * X  +  -0.552601 * Y  +  -0.817275 * Z  +  14.133548
  Z_new =   0.839846 * X  +  -0.356761 * Y  +   0.409121 * Z  +   1.446627 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.835861 -0.997000 -0.717138   [DEG:  162.4829  -57.1239  -41.0890 ]
ZXZ:  0.460876  1.149306  1.972491   [DEG:   26.4063   65.8504  113.0154 ]
 
# END of job
