
#######################################################
#                                                     #
#                        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    13.96
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.92    14.37
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.77    14.45
  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     18   65   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     18   65   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   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     48   65   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     35   65   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     47   65   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     41   65   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     42   65   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     44   65   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     16   65   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     34   65   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     49   65   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     47   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     13   65   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     49   65   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   51   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   65   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     20   65   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     10   64   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     32   65   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     10   64   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     42   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     17   65   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     17   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     40   65   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   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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     49   65   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      3    9   19   33   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      9   12   14   14   14   16   26   33   47   67   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   18   20   27   33   40   53   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   18   20   27   30   37   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   18   20   20   22   22   24   26   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78      9   12   14   14   14   14   16   16   16   18   18   20   20   22   22   24   26   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   20   22   22   24   26   28   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   20   22   22   24   26   28   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   20   22   22   24   24   27   29   30 
LCS_GDT     N    96_A     N    96_A     14   16   19      8   12   14   14   14   14   16   16   16   18   18   20   20   22   22   23   24   27   29   30 
LCS_GDT     G    97_A     G    97_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   20   22   22   24   24   27   29   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      3   12   14   14   14   14   16   16   16   18   18   20   20   22   22   24   26   28   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   12   14   14   14   14   16   16   16   18   18   20   20   22   22   24   26   28   29   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    7   14   14   14   14   16   16   16   18   18   20   20   22   22   24   26   28   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    7    8   12   14   16   16   16   18   18   20   20   22   22   24   26   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     49     65     72     72     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76     76 
GDT PERCENT_AT  56.32  74.71  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    0.29   0.47   0.59   0.59   0.59   0.77   0.77   0.77   0.77   0.77   1.23   1.23   1.23   1.23   1.23   1.23   1.92   1.92   2.54   2.54
GDT RMS_ALL_AT  14.43  14.45  14.46  14.46  14.46  14.45  14.45  14.45  14.45  14.45  14.43  14.43  14.43  14.43  14.43  14.43  14.37  14.37  14.28  14.28

# 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     1.037     0    0.488   1.358     7.991   73.571   51.534
LGA    L    16_A      L    16_A     1.030     0    0.019   0.091     1.111   88.333   84.881
LGA    I    17_A      I    17_A     0.537     0    0.063   0.594     2.606   95.238   87.560
LGA    I    18_A      I    18_A     0.069     0    0.015   0.152     0.692   97.619   97.619
LGA    K    19_A      K    19_A     0.334     0    0.068   0.310     2.121  100.000   90.899
LGA    A    20_A      A    20_A     0.296     0    0.010   0.033     0.496  100.000  100.000
LGA    Q    21_A      Q    21_A     0.219     0    0.011   0.085     0.507   97.619   98.942
LGA    L    22_A      L    22_A     0.408     0    0.049   0.070     0.912  100.000   95.238
LGA    G    23_A      G    23_A     0.363     0    0.030   0.030     0.458  100.000  100.000
LGA    E    24_A      E    24_A     0.330     0    0.029   0.935     5.325  100.000   77.672
LGA    D    25_A      D    25_A     0.323     0    0.073   0.933     3.791  100.000   80.476
LGA    I    26_A      I    26_A     0.587     0    0.070   0.128     1.083   90.595   91.726
LGA    R    27_A      R    27_A     0.946     0    0.041   1.108     4.209   90.476   81.645
LGA    R    28_A      R    28_A     0.774     0    0.042   0.941     3.914   90.476   76.104
LGA    I    29_A      I    29_A     0.844     0    0.015   0.424     1.267   90.476   89.345
LGA    P    30_A      P    30_A     0.855     0    0.024   0.070     1.170   90.476   86.599
LGA    I    31_A      I    31_A     0.673     0    0.026   0.631     1.619   92.857   88.333
LGA    H    32_A      H    32_A     0.964     0    0.223   0.262     1.974   88.214   81.571
LGA    N    33_A      N    33_A     0.847     0    0.010   0.806     3.312   90.476   77.143
LGA    E    34_A      E    34_A     0.460     0    0.044   0.254     1.700   97.619   91.799
LGA    D    35_A      D    35_A     0.653     0    0.067   1.199     3.975   88.214   75.179
LGA    I    36_A      I    36_A     0.289     0    0.043   0.067     0.413  100.000  100.000
LGA    T    37_A      T    37_A     0.300     0    0.020   0.105     0.656  100.000   98.639
LGA    Y    38_A      Y    38_A     0.283     0    0.016   0.113     0.437  100.000  100.000
LGA    D    39_A      D    39_A     0.412     0    0.029   0.110     0.945  100.000   95.238
LGA    E    40_A      E    40_A     0.362     0    0.015   0.165     0.663  100.000   98.942
LGA    L    41_A      L    41_A     0.176     0    0.027   0.062     0.251  100.000  100.000
LGA    V    42_A      V    42_A     0.143     0    0.029   0.058     0.290  100.000  100.000
LGA    L    43_A      L    43_A     0.170     0    0.033   0.068     0.310  100.000  100.000
LGA    M    44_A      M    44_A     0.174     0    0.060   1.079     1.964  100.000   89.821
LGA    M    45_A      M    45_A     0.182     0    0.038   0.089     0.284  100.000  100.000
LGA    Q    46_A      Q    46_A     0.094     0    0.026   0.251     0.626  100.000   97.884
LGA    R    47_A      R    47_A     0.114     0    0.041   1.286     5.416  100.000   79.827
LGA    V    48_A      V    48_A     0.434     0    0.170   1.262     2.564   97.619   86.122
LGA    F    49_A      F    49_A     0.174     0    0.031   0.080     0.476  100.000  100.000
LGA    R    50_A      R    50_A     0.171     0    0.549   1.341     5.827   85.119   71.688
LGA    G    51_A      G    51_A     1.158     0    0.090   0.090     1.444   85.952   85.952
LGA    K    52_A      K    52_A     0.510     0    0.209   0.744     2.414   90.476   87.672
LGA    L    53_A      L    53_A     1.222     0    0.102   0.099     1.634   79.286   81.488
LGA    L    54_A      L    54_A     0.676     0    0.068   0.144     1.403   90.476   88.214
LGA    S    55_A      S    55_A     1.099     0    0.061   0.094     1.496   83.690   82.937
LGA    N    56_A      N    56_A     1.332     0    0.038   1.183     3.203   81.429   76.429
LGA    D    57_A      D    57_A     0.743     0    0.087   0.112     0.958   90.476   94.048
LGA    E    58_A      E    58_A     1.123     0    0.034   0.550     2.525   88.214   79.841
LGA    V    59_A      V    59_A     0.622     0    0.066   0.079     0.849   95.238   93.197
LGA    T    60_A      T    60_A     0.306     0    0.045   0.265     0.829  100.000   97.279
LGA    I    61_A      I    61_A     0.252     0    0.014   0.092     0.537  100.000   98.810
LGA    K    62_A      K    62_A     0.171     0    0.063   0.122     0.477  100.000  100.000
LGA    Y    63_A      Y    63_A     0.374     0    0.012   0.112     0.827  100.000   96.825
LGA    K    64_A      K    64_A     0.253     0    0.034   0.786     4.313  100.000   80.000
LGA    A    65_A      A    65_A     0.296     0    0.030   0.033     0.448  100.000  100.000
LGA    E    66_A      E    66_A     0.890     0    0.641   0.872     3.183   78.095   80.952
LGA    R    67_A      R    67_A     1.559     0    0.287   1.474    11.207   83.810   43.810
LGA    G    68_A      G    68_A     0.750     0    0.105   0.105     1.019   88.214   88.214
LGA    D    69_A      D    69_A     0.679     0    0.018   1.049     3.544   95.238   81.548
LGA    L    70_A      L    70_A     0.420     0    0.094   0.158     0.917   95.238   96.429
LGA    I    71_A      I    71_A     0.289     0    0.016   0.124     0.355  100.000  100.000
LGA    T    72_A      T    72_A     0.326     0    0.017   0.045     0.368  100.000  100.000
LGA    I    73_A      I    73_A     0.455     0    0.024   0.113     0.612  100.000   97.619
LGA    F    74_A      F    74_A     0.404     0    0.031   1.289     6.207  100.000   67.100
LGA    D    75_A      D    75_A     0.219     0    0.060   0.101     0.323  100.000  100.000
LGA    S    76_A      S    76_A     0.182     0    0.069   0.066     0.349  100.000  100.000
LGA    S    77_A      S    77_A     0.553     0    0.049   0.192     1.190   97.619   93.730
LGA    D    78_A      D    78_A     0.374     0    0.020   0.081     0.780  100.000   97.619
LGA    L    79_A      L    79_A     0.089     0    0.011   0.027     0.330  100.000  100.000
LGA    S    80_A      S    80_A     0.381     0    0.011   0.032     0.775  100.000   96.825
LGA    F    81_A      F    81_A     0.544     0    0.036   0.061     1.081   97.619   91.429
LGA    A    82_A      A    82_A     0.262     0    0.047   0.045     0.312  100.000  100.000
LGA    I    83_A      I    83_A     0.220     0    0.014   0.092     0.669  100.000   97.619
LGA    Q    84_A      Q    84_A     0.381     0    0.033   0.930     4.939  100.000   76.349
LGA    C    85_A      C    85_A     0.299     0    0.125   0.137     0.971   97.619   95.238
LGA    S    86_A      S    86_A     0.409     0    0.591   0.731     4.001   75.476   68.333
LGA    R    87_A      R    87_A     4.132     0    0.482   0.905     8.769   29.524   38.355
LGA    I    88_A      I    88_A     8.431     0    0.163   0.605    10.802    7.976    4.762
LGA    L    89_A      L    89_A    12.943     0    0.075   0.119    19.020    0.000    0.000
LGA    K    90_A      K    90_A    15.066     0    0.031   0.574    17.449    0.000    2.540
LGA    L    91_A      L    91_A    22.308     0    0.037   0.065    25.535    0.000    0.000
LGA    T    92_A      T    92_A    26.570     0    0.044   1.074    29.963    0.000    0.000
LGA    L    93_A      L    93_A    34.084     0    0.076   1.016    35.599    0.000    0.000
LGA    F    94_A      F    94_A    39.202     0    0.025   0.057    42.703    0.000    0.000
LGA    V    95_A      V    95_A    46.428     0    0.015   0.023    50.091    0.000    0.000
LGA    N    96_A      N    96_A    51.872     0    0.026   0.082    56.085    0.000    0.000
LGA    G    97_A      G    97_A    46.882     0    0.018   0.018    48.331    0.000    0.000
LGA    Q    98_A      Q    98_A    43.606     0    0.048   1.034    47.795    0.000    0.000
LGA    P    99_A      P    99_A    36.941     0    0.663   0.606    38.931    0.000    0.000
LGA    R   100_A      R   100_A    40.208     0    0.373   1.382    42.610    0.000    0.000
LGA    P   101_A      P   101_A    42.896     0    0.697   0.595    45.471    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):    12.412         12.441                 12.433           79.042   74.524

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.77    81.609    81.438     8.421

LGA_LOCAL      RMSD:   0.767  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.455  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.412  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.899907 * X  +   0.375995 * Y  +  -0.220899 * Z  + -12.820841
  Y_new =   0.010693 * X  +  -0.525425 * Y  +  -0.850772 * Z  +  13.312049
  Z_new =  -0.435952 * X  +   0.763254 * Y  +  -0.476854 * Z  +   4.658922 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.011882  0.451096  2.129227   [DEG:    0.6808   25.8459  121.9957 ]
ZXZ: -0.254035  2.067869 -0.518955   [DEG:  -14.5552  118.4801  -29.7339 ]
 
# END of job
