
#######################################################
#                                                     #
#                        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    13.94
  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    14.35
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.73    14.44
  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     15   70   71   72   72   73   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     16   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     50   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     44   70   71   72   72   73   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     33   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     21   70   71   72   72   73   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     53   70   71   72   72   73   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      8   70   71   72   72   73   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      8   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     36   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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      5   62   71   72   72   73   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     23   70   71   72   72   73   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     46   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     52   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     53   70   71   72   72   73   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     42   70   71   72   72   73   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   13   16   30   57   73   73   73   73   73   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   75   78     10   13   14   14   14   17   26   33   46   65   74   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   75   78     10   13   14   14   14   14   16   16   16   17   19   20   27   34   47   54   74   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78     10   13   14   14   14   14   16   16   16   17   19   20   27   32   39   46   52   65   75   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      9   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   26   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78     10   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   26   28   29   30 
LCS_GDT     L    93_A     L    93_A     14   16   19     10   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   26   28   29   30 
LCS_GDT     F    94_A     F    94_A     14   16   19     10   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   26   28   29   30 
LCS_GDT     V    95_A     V    95_A     14   16   19     10   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   25   25   28   30 
LCS_GDT     N    96_A     N    96_A     14   16   19     10   13   14   14   14   14   16   16   16   17   18   20   20   22   22   23   24   25   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19     10   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   25   25   28   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      4   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   26   28   29   30 
LCS_GDT     P    99_A     P    99_A     14   16   19     10   13   14   14   14   14   16   16   16   17   19   20   20   22   22   23   26   28   29   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    7   14   14   14   14   16   16   16   17   19   20   20   22   22   23   26   28   29   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    8   11   13   16   16   16   17   19   20   20   22   22   23   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     53     70     71     72     72     73     73     73     73     73     74     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  60.92  80.46  81.61  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  86.21  87.36
GDT RMS_LOCAL    0.30   0.45   0.47   0.52   0.52   0.73   0.73   0.73   0.73   0.73   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.89   1.89   2.52
GDT RMS_ALL_AT  14.45  14.47  14.46  14.45  14.45  14.44  14.44  14.44  14.44  14.44  14.41  14.41  14.41  14.41  14.41  14.41  14.41  14.35  14.35  14.26

# 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     0.873     0    0.511   1.300     8.290   82.143   53.069
LGA    L    16_A      L    16_A     0.999     0    0.030   0.099     1.061   88.214   85.952
LGA    I    17_A      I    17_A     0.414     0    0.059   0.612     2.380   97.619   90.833
LGA    I    18_A      I    18_A     0.112     0    0.019   0.177     0.551   97.619   97.619
LGA    K    19_A      K    19_A     0.341     0    0.079   0.340     2.170  100.000   90.899
LGA    A    20_A      A    20_A     0.325     0    0.011   0.028     0.513  100.000   98.095
LGA    Q    21_A      Q    21_A     0.262     0    0.012   0.107     0.477  100.000  100.000
LGA    L    22_A      L    22_A     0.421     0    0.044   0.065     0.989  100.000   95.238
LGA    G    23_A      G    23_A     0.392     0    0.033   0.033     0.480  100.000  100.000
LGA    E    24_A      E    24_A     0.378     0    0.022   0.917     5.310  100.000   76.931
LGA    D    25_A      D    25_A     0.382     0    0.057   0.924     3.806  100.000   80.476
LGA    I    26_A      I    26_A     0.582     0    0.083   0.134     1.041   90.595   91.726
LGA    R    27_A      R    27_A     0.761     0    0.046   0.797     3.221   90.476   81.948
LGA    R    28_A      R    28_A     0.680     0    0.034   0.905     3.329   90.476   79.740
LGA    I    29_A      I    29_A     0.587     0    0.022   0.427     1.227   92.857   90.536
LGA    P    30_A      P    30_A     0.600     0    0.020   0.062     0.910   92.857   91.837
LGA    I    31_A      I    31_A     0.458     0    0.031   0.629     1.508  100.000   91.905
LGA    H    32_A      H    32_A     0.642     0    0.163   1.155     3.436   90.476   81.286
LGA    N    33_A      N    33_A     0.784     0    0.021   0.833     2.987   90.476   79.940
LGA    E    34_A      E    34_A     0.514     0    0.048   0.345     2.372   95.238   88.783
LGA    D    35_A      D    35_A     0.444     0    0.033   1.211     3.967   95.238   78.690
LGA    I    36_A      I    36_A     0.306     0    0.037   0.065     0.771  100.000   96.429
LGA    T    37_A      T    37_A     0.136     0    0.017   0.117     0.434  100.000  100.000
LGA    Y    38_A      Y    38_A     0.122     0    0.016   0.126     0.719  100.000   99.206
LGA    D    39_A      D    39_A     0.219     0    0.034   0.084     0.753  100.000   96.429
LGA    E    40_A      E    40_A     0.206     0    0.017   0.201     0.620  100.000   98.942
LGA    L    41_A      L    41_A     0.060     0    0.029   0.061     0.224  100.000  100.000
LGA    V    42_A      V    42_A     0.044     0    0.027   0.052     0.158  100.000  100.000
LGA    L    43_A      L    43_A     0.191     0    0.032   0.068     0.443  100.000  100.000
LGA    M    44_A      M    44_A     0.143     0    0.047   0.712     1.967  100.000   89.821
LGA    M    45_A      M    45_A     0.134     0    0.037   0.099     0.249  100.000  100.000
LGA    Q    46_A      Q    46_A     0.181     0    0.020   0.206     0.611  100.000   98.942
LGA    R    47_A      R    47_A     0.170     0    0.043   1.291     5.293  100.000   81.169
LGA    V    48_A      V    48_A     0.265     0    0.093   1.246     2.527  100.000   87.483
LGA    F    49_A      F    49_A     0.169     0    0.035   0.086     0.482  100.000  100.000
LGA    R    50_A      R    50_A     0.169     0    0.551   1.343     6.034   85.119   70.693
LGA    G    51_A      G    51_A     1.133     0    0.102   0.102     1.478   85.952   85.952
LGA    K    52_A      K    52_A     0.404     0    0.135   0.749     2.392   97.619   88.783
LGA    L    53_A      L    53_A     1.055     0    0.082   0.084     1.434   83.690   83.690
LGA    L    54_A      L    54_A     0.731     0    0.064   0.136     1.129   90.476   89.345
LGA    S    55_A      S    55_A     0.602     0    0.081   0.124     0.675   90.476   92.063
LGA    N    56_A      N    56_A     0.489     0    0.034   0.776     2.414   95.238   90.833
LGA    D    57_A      D    57_A     0.364     0    0.075   0.119     0.699   95.238   97.619
LGA    E    58_A      E    58_A     0.726     0    0.034   0.480     2.109   95.238   87.725
LGA    V    59_A      V    59_A     0.310     0    0.078   0.095     0.510   97.619   98.639
LGA    T    60_A      T    60_A     0.214     0    0.054   0.242     0.807  100.000   98.639
LGA    I    61_A      I    61_A     0.244     0    0.014   0.091     0.555  100.000   98.810
LGA    K    62_A      K    62_A     0.187     0    0.061   0.150     0.554  100.000   98.942
LGA    Y    63_A      Y    63_A     0.288     0    0.011   0.099     0.818  100.000   96.825
LGA    K    64_A      K    64_A     0.167     0    0.035   0.806     4.697  100.000   78.466
LGA    A    65_A      A    65_A     0.195     0    0.038   0.048     0.312  100.000  100.000
LGA    E    66_A      E    66_A     0.548     0    0.644   0.925     2.780   84.524   83.862
LGA    R    67_A      R    67_A     1.991     0    0.308   1.418    11.806   79.405   39.091
LGA    G    68_A      G    68_A     0.916     0    0.113   0.113     1.246   88.214   88.214
LGA    D    69_A      D    69_A     0.674     0    0.019   1.051     3.692   95.238   81.548
LGA    L    70_A      L    70_A     0.360     0    0.106   0.152     0.942   97.619   97.619
LGA    I    71_A      I    71_A     0.192     0    0.022   0.108     0.342  100.000  100.000
LGA    T    72_A      T    72_A     0.244     0    0.018   0.056     0.284  100.000  100.000
LGA    I    73_A      I    73_A     0.334     0    0.025   0.112     0.523  100.000   98.810
LGA    F    74_A      F    74_A     0.272     0    0.039   1.303     6.146  100.000   68.571
LGA    D    75_A      D    75_A     0.261     0    0.059   0.102     0.405  100.000  100.000
LGA    S    76_A      S    76_A     0.219     0    0.063   0.058     0.361  100.000  100.000
LGA    S    77_A      S    77_A     0.574     0    0.049   0.581     1.260   97.619   93.730
LGA    D    78_A      D    78_A     0.382     0    0.015   0.059     0.787  100.000   96.429
LGA    L    79_A      L    79_A     0.090     0    0.011   0.026     0.232  100.000  100.000
LGA    S    80_A      S    80_A     0.388     0    0.013   0.042     0.520  100.000   96.825
LGA    F    81_A      F    81_A     0.496     0    0.043   0.067     1.254  100.000   90.649
LGA    A    82_A      A    82_A     0.222     0    0.048   0.046     0.296  100.000  100.000
LGA    I    83_A      I    83_A     0.279     0    0.016   0.085     0.717  100.000   97.619
LGA    Q    84_A      Q    84_A     0.246     0    0.054   0.934     4.746  100.000   77.090
LGA    C    85_A      C    85_A     0.590     0    0.120   0.141     1.411   90.595   90.556
LGA    S    86_A      S    86_A     0.866     0    0.592   0.748     3.994   72.262   66.190
LGA    R    87_A      R    87_A     4.308     0    0.481   1.261     8.945   27.619   38.658
LGA    I    88_A      I    88_A     8.503     0    0.174   0.608    11.103    7.500    4.286
LGA    L    89_A      L    89_A    12.828     0    0.072   0.135    18.849    0.000    0.000
LGA    K    90_A      K    90_A    14.993     0    0.026   0.562    17.357    0.000    2.222
LGA    L    91_A      L    91_A    22.215     0    0.033   0.077    25.418    0.000    0.000
LGA    T    92_A      T    92_A    26.502     0    0.046   1.066    29.896    0.000    0.000
LGA    L    93_A      L    93_A    34.016     0    0.076   1.048    35.534    0.000    0.000
LGA    F    94_A      F    94_A    39.159     0    0.017   0.095    42.619    0.000    0.000
LGA    V    95_A      V    95_A    46.371     0    0.017   0.032    49.994    0.000    0.000
LGA    N    96_A      N    96_A    51.875     0    0.029   0.079    56.104    0.000    0.000
LGA    G    97_A      G    97_A    46.900     0    0.016   0.016    48.332    0.000    0.000
LGA    Q    98_A      Q    98_A    43.581     0    0.046   1.045    47.775    0.000    0.000
LGA    P    99_A      P    99_A    36.902     0    0.670   0.616    38.891    0.000    0.000
LGA    R   100_A      R   100_A    40.184     0    0.396   1.354    42.813    0.000    0.000
LGA    P   101_A      P   101_A    42.905     0    0.697   0.586    45.004    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):    12.421         12.447                 12.459           79.903   75.206

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.73    83.046    81.786     8.818

LGA_LOCAL      RMSD:   0.728  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.441  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.421  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.776013 * X  +   0.153128 * Y  +  -0.611846 * Z  + -11.812222
  Y_new =   0.212742 * X  +  -0.976779 * Y  +   0.025363 * Z  +  11.238574
  Z_new =  -0.593754 * X  +  -0.149848 * Y  +  -0.790570 * Z  +   2.011259 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.267574  0.635717 -2.954271   [DEG:   15.3308   36.4239 -169.2673 ]
ZXZ: -1.612226  2.482536 -1.818007   [DEG:  -92.3738  142.2388 -104.1641 ]
 
# END of job
