
#######################################################
#                                                     #
#                        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        4.51    14.00
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.89    14.42
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.71    14.50
  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     21   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     20   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     50   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     50   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     20   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     43   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     37   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     44   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     H    32_A     H    32_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    51_A     G    51_A     73   75   78     45   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      8   28   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      9   67   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    55_A     S    55_A     73   75   78      9   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     N    56_A     N    56_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    58_A     E    58_A     73   75   78     53   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     E    66_A     E    66_A     73   75   78      8   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    67_A     R    67_A     73   75   78      4   63   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     43   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     43   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     54   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     25   69   72   72   72   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      4   10   18   31   62   73   73   73   73   73   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     I    88_A     I    88_A     14   75   78      9   12   14   14   14   18   27   33   48   65   74   74   74   74   74   74   74   75   76   76 
LCS_GDT     L    89_A     L    89_A     14   75   78      9   12   14   14   14   14   16   16   18   18   18   20   27   34   41   55   68   75   76   76 
LCS_GDT     K    90_A     K    90_A     14   16   78      9   12   14   14   14   14   16   16   18   18   18   20   27   33   38   46   52   64   76   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      9   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   26   27   29   33 
LCS_GDT     T    92_A     T    92_A     14   16   78      9   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   26   27   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19      9   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   26   27   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19      9   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   26   27   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19      9   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   25   26   28   30 
LCS_GDT     N    96_A     N    96_A     14   16   19      9   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   25   26   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19      4   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   25   26   28   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      4   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   26   27   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   12   14   14   14   14   16   16   18   18   18   20   21   22   23   23   26   27   29   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    6   14   14   14   14   16   16   18   18   18   20   21   22   23   23   26   27   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    7    9   12   14   16   16   18   18   18   20   21   22   23   23   26   27   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     54     69     72     72     72     73     73     73     73     73     74     74     74     74     74     74     74     75     76     76 
GDT PERCENT_AT  62.07  79.31  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  85.06  86.21  87.36  87.36
GDT RMS_LOCAL    0.28   0.45   0.51   0.51   0.51   0.71   0.71   0.71   0.71   0.71   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.89   2.51   2.51
GDT RMS_ALL_AT  14.52  14.52  14.51  14.51  14.51  14.50  14.50  14.50  14.50  14.50  14.48  14.48  14.48  14.48  14.48  14.48  14.48  14.42  14.32  14.32

# 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     0.734     0    0.490   1.235     8.382   82.143   55.079
LGA    L    16_A      L    16_A     1.005     0    0.026   0.102     1.163   85.952   87.083
LGA    I    17_A      I    17_A     0.576     0    0.050   0.719     3.223   95.238   86.667
LGA    I    18_A      I    18_A     0.156     0    0.016   0.099     0.615   97.619   98.810
LGA    K    19_A      K    19_A     0.381     0    0.067   0.334     2.164  100.000   90.899
LGA    A    20_A      A    20_A     0.199     0    0.013   0.039     0.446  100.000  100.000
LGA    Q    21_A      Q    21_A     0.151     0    0.016   0.097     0.446  100.000  100.000
LGA    L    22_A      L    22_A     0.386     0    0.047   0.070     0.919  100.000   95.238
LGA    G    23_A      G    23_A     0.343     0    0.038   0.038     0.425  100.000  100.000
LGA    E    24_A      E    24_A     0.387     0    0.038   0.960     5.140   97.619   76.614
LGA    D    25_A      D    25_A     0.284     0    0.064   0.927     3.827  100.000   80.476
LGA    I    26_A      I    26_A     0.642     0    0.070   0.134     1.127   90.595   90.536
LGA    R    27_A      R    27_A     1.018     0    0.042   1.137     4.198   88.214   80.909
LGA    R    28_A      R    28_A     0.797     0    0.039   0.897     3.581   90.476   76.147
LGA    I    29_A      I    29_A     0.779     0    0.012   0.442     1.324   92.857   89.405
LGA    P    30_A      P    30_A     0.635     0    0.022   0.059     0.918   95.238   93.197
LGA    I    31_A      I    31_A     0.213     0    0.034   0.530     1.249  100.000   95.298
LGA    H    32_A      H    32_A     0.542     0    0.144   1.161     2.589   90.476   81.095
LGA    N    33_A      N    33_A     0.498     0    0.026   0.789     3.003   97.619   82.619
LGA    E    34_A      E    34_A     0.220     0    0.031   0.550     2.943  100.000   92.116
LGA    D    35_A      D    35_A     0.425     0    0.017   1.224     3.901   97.619   80.774
LGA    I    36_A      I    36_A     0.272     0    0.028   0.064     0.957  100.000   96.429
LGA    T    37_A      T    37_A     0.105     0    0.018   0.123     0.314  100.000  100.000
LGA    Y    38_A      Y    38_A     0.079     0    0.020   0.078     0.434  100.000  100.000
LGA    D    39_A      D    39_A     0.127     0    0.026   0.092     0.423  100.000  100.000
LGA    E    40_A      E    40_A     0.165     0    0.018   0.203     0.626  100.000   98.942
LGA    L    41_A      L    41_A     0.075     0    0.030   0.089     0.233  100.000  100.000
LGA    V    42_A      V    42_A     0.196     0    0.028   0.045     0.308  100.000  100.000
LGA    L    43_A      L    43_A     0.381     0    0.031   1.365     3.065  100.000   83.810
LGA    M    44_A      M    44_A     0.287     0    0.054   0.763     1.903  100.000   89.821
LGA    M    45_A      M    45_A     0.141     0    0.038   0.102     0.318  100.000  100.000
LGA    Q    46_A      Q    46_A     0.307     0    0.025   0.191     0.708  100.000   97.884
LGA    R    47_A      R    47_A     0.299     0    0.041   1.279     4.962  100.000   80.779
LGA    V    48_A      V    48_A     0.399     0    0.164   1.256     2.540   97.619   86.122
LGA    F    49_A      F    49_A     0.108     0    0.036   0.077     0.539  100.000   98.268
LGA    R    50_A      R    50_A     0.048     0    0.550   1.319     6.110   85.119   70.693
LGA    G    51_A      G    51_A     0.888     0    0.105   0.105     1.290   88.214   88.214
LGA    K    52_A      K    52_A     0.277     0    0.171   0.754     2.326  100.000   90.899
LGA    L    53_A      L    53_A     1.208     0    0.068   0.076     1.627   79.286   81.488
LGA    L    54_A      L    54_A     1.100     0    0.069   0.144     1.388   81.429   82.560
LGA    S    55_A      S    55_A     0.942     0    0.079   0.131     0.990   90.476   90.476
LGA    N    56_A      N    56_A     0.517     0    0.032   0.742     1.709   95.238   90.714
LGA    D    57_A      D    57_A     0.349     0    0.073   0.113     0.720   97.619   97.619
LGA    E    58_A      E    58_A     0.592     0    0.038   0.547     2.172   97.619   88.783
LGA    V    59_A      V    59_A     0.350     0    0.074   0.090     0.497  100.000  100.000
LGA    T    60_A      T    60_A     0.300     0    0.053   0.258     0.899  100.000   98.639
LGA    I    61_A      I    61_A     0.183     0    0.008   0.092     0.555  100.000   98.810
LGA    K    62_A      K    62_A     0.182     0    0.063   0.161     0.792  100.000   98.942
LGA    Y    63_A      Y    63_A     0.244     0    0.011   0.145     0.708  100.000   96.825
LGA    K    64_A      K    64_A     0.160     0    0.036   0.800     4.414  100.000   80.000
LGA    A    65_A      A    65_A     0.495     0    0.029   0.030     0.606   95.238   96.190
LGA    E    66_A      E    66_A     0.946     0    0.642   0.842     3.230   78.095   82.963
LGA    R    67_A      R    67_A     1.580     0    0.266   1.286     9.824   77.143   42.900
LGA    G    68_A      G    68_A     0.787     0    0.089   0.089     1.028   88.214   88.214
LGA    D    69_A      D    69_A     0.671     0    0.020   1.032     3.297   95.238   82.321
LGA    L    70_A      L    70_A     0.334     0    0.118   0.153     0.918   97.619   97.619
LGA    I    71_A      I    71_A     0.161     0    0.012   0.099     0.262  100.000  100.000
LGA    T    72_A      T    72_A     0.163     0    0.021   0.052     0.269  100.000  100.000
LGA    I    73_A      I    73_A     0.242     0    0.018   0.127     0.534  100.000   97.619
LGA    F    74_A      F    74_A     0.224     0    0.040   1.293     6.001  100.000   70.087
LGA    D    75_A      D    75_A     0.279     0    0.058   0.139     0.603  100.000   98.810
LGA    S    76_A      S    76_A     0.214     0    0.041   0.039     0.318  100.000  100.000
LGA    S    77_A      S    77_A     0.378     0    0.043   0.518     1.213  100.000   95.317
LGA    D    78_A      D    78_A     0.174     0    0.016   0.048     0.410  100.000  100.000
LGA    L    79_A      L    79_A     0.068     0    0.015   0.025     0.210  100.000  100.000
LGA    S    80_A      S    80_A     0.247     0    0.014   0.671     2.299  100.000   94.127
LGA    F    81_A      F    81_A     0.259     0    0.045   0.067     0.845  100.000   94.805
LGA    A    82_A      A    82_A     0.216     0    0.046   0.044     0.364  100.000  100.000
LGA    I    83_A      I    83_A     0.390     0    0.015   0.089     0.697   97.619   95.238
LGA    Q    84_A      Q    84_A     0.340     0    0.040   0.934     4.496   97.619   78.360
LGA    C    85_A      C    85_A     0.476     0    0.125   0.144     1.393   92.976   92.143
LGA    S    86_A      S    86_A     0.690     0    0.596   0.732     4.017   73.095   69.206
LGA    R    87_A      R    87_A     4.230     0    0.495   1.066     8.864   27.619   39.351
LGA    I    88_A      I    88_A     8.394     0    0.145   0.592    10.915    7.976    4.762
LGA    L    89_A      L    89_A    12.855     0    0.063   0.153    18.899    0.000    0.000
LGA    K    90_A      K    90_A    14.981     0    0.026   0.566    17.345    0.000    2.540
LGA    L    91_A      L    91_A    22.208     0    0.037   0.066    25.413    0.000    0.000
LGA    T    92_A      T    92_A    26.502     0    0.041   1.079    29.872    0.000    0.000
LGA    L    93_A      L    93_A    34.013     0    0.070   1.049    35.567    0.000    0.000
LGA    F    94_A      F    94_A    39.247     0    0.031   0.077    42.653    0.000    0.000
LGA    V    95_A      V    95_A    46.479     0    0.018   0.039    50.056    0.000    0.000
LGA    N    96_A      N    96_A    52.095     0    0.026   0.080    56.237    0.000    0.000
LGA    G    97_A      G    97_A    47.323     0    0.015   0.015    48.663    0.000    0.000
LGA    Q    98_A      Q    98_A    44.006     0    0.057   1.049    48.243    0.000    0.000
LGA    P    99_A      P    99_A    37.283     0    0.678   0.609    39.321    0.000    0.000
LGA    R   100_A      R   100_A    40.167     0    0.406   1.374    42.520    0.000    0.000
LGA    P   101_A      P   101_A    43.077     0    0.683   0.625    44.929    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):    12.455         12.474                 12.479           79.802   75.198

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.71    82.759    81.786     8.975

LGA_LOCAL      RMSD:   0.713  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.503  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.455  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.397209 * X  +   0.680650 * Y  +  -0.615582 * Z  + -11.380817
  Y_new =   0.684568 * X  +  -0.666492 * Y  +  -0.295219 * Z  +  12.241920
  Z_new =  -0.611221 * X  +  -0.304144 * Y  +  -0.730688 * Z  +   3.686423 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.045038  0.657602 -2.747162   [DEG:   59.8763   37.6778 -157.4008 ]
ZXZ: -1.123621  2.390126 -2.032523   [DEG:  -64.3787  136.9441 -116.4550 ]
 
# END of job
