
#######################################################
#                                                     #
#                        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        4.58    14.06
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.40    14.53
  LCS_AVERAGE:     75.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.99    14.56
  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   74   78      6   50   65   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     73   74   78     22   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     73   74   78     51   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     73   74   78     44   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     73   74   78     51   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     73   74   78     44   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     73   74   78     51   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     73   74   78      3   47   66   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     73   74   78      3    5    5    6    6   63   71   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     73   74   78      3    6   51   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     73   74   78      3    5   21   65   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     73   74   78      6   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     73   74   78      6   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     73   74   78     46   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     73   74   78     13   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     73   74   78      7   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     73   74   78     13   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     73   74   78     52   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     73   74   78     49   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     73   74   78      5   62   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     73   74   78      3   46   67   70   71   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     73   74   78     11   14   23   35   68   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   74   78     11   14   14   14   14   16   24   31   43   60   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   16   78     11   14   14   14   14   15   15   15   16   16   18   20   25   33   41   48   68   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78     11   14   14   14   14   15   15   15   16   16   18   20   25   29   37   44   53   61   72   76 
LCS_GDT     L    91_A     L    91_A     14   16   78     11   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   27   28   28   30 
LCS_GDT     T    92_A     T    92_A     14   16   78     11   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   27   28   28   30 
LCS_GDT     L    93_A     L    93_A     14   16   19     11   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   27   28   28   29 
LCS_GDT     F    94_A     F    94_A     14   16   19     11   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   27   28   28   29 
LCS_GDT     V    95_A     V    95_A     14   16   19     11   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   25   26   28   29 
LCS_GDT     N    96_A     N    96_A     14   16   19     11   14   14   14   14   15   15   15   16   16   18   20   21   22   22   22   22   26   28   29 
LCS_GDT     G    97_A     G    97_A     14   16   19     11   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   24   26   28   29 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      5   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   27   28   28   29 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   27   28   28   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3   14   14   14   14   15   15   15   16   16   18   20   21   22   22   24   27   28   28   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    3    7    9   12   14   16   16   18   20   21   22   22   24   25   28   28   30 
LCS_AVERAGE  LCS_A:  76.86  (  72.85   75.10   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     52     62     67     70     71     72     72     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  59.77  71.26  77.01  80.46  81.61  82.76  82.76  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
GDT RMS_LOCAL    0.29   0.39   0.54   0.65   0.73   0.86   0.86   0.99   0.99   0.99   0.99   1.40   1.40   1.40   1.40   1.40   1.40   2.02   2.02   2.61
GDT RMS_ALL_AT  14.54  14.57  14.56  14.58  14.58  14.57  14.57  14.56  14.56  14.56  14.56  14.53  14.53  14.53  14.53  14.53  14.53  14.47  14.47  14.38

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_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     1.762     0    0.454   1.313     9.870   75.119   48.148
LGA    L    16_A      L    16_A     0.892     0    0.025   0.043     1.236   88.214   89.405
LGA    I    17_A      I    17_A     0.311     0    0.025   0.097     1.156  100.000   92.976
LGA    I    18_A      I    18_A     0.323     0    0.023   0.071     0.671   97.619   98.810
LGA    K    19_A      K    19_A     0.434     0    0.013   0.265     2.468  100.000   88.889
LGA    A    20_A      A    20_A     0.151     0    0.019   0.020     0.303  100.000  100.000
LGA    Q    21_A      Q    21_A     0.119     0    0.034   0.138     0.390  100.000  100.000
LGA    L    22_A      L    22_A     0.330     0    0.069   0.099     0.832  100.000   96.429
LGA    G    23_A      G    23_A     0.495     0    0.021   0.021     0.525   95.238   95.238
LGA    E    24_A      E    24_A     0.639     0    0.058   0.371     2.685   90.476   79.101
LGA    D    25_A      D    25_A     0.242     0    0.021   0.815     3.933  100.000   81.310
LGA    I    26_A      I    26_A     0.316     0    0.012   0.055     0.513  100.000   98.810
LGA    R    27_A      R    27_A     0.699     0    0.022   1.127     4.003   90.476   83.203
LGA    R    28_A      R    28_A     0.548     0    0.060   1.582     6.600   95.238   70.519
LGA    I    29_A      I    29_A     0.642     0    0.041   0.081     0.985   95.238   92.857
LGA    P    30_A      P    30_A     0.511     0    0.055   0.070     0.831   95.238   93.197
LGA    I    31_A      I    31_A     0.353     0    0.056   0.585     2.030   95.238   88.512
LGA    H    32_A      H    32_A     1.837     0    0.573   0.903     5.050   67.262   52.714
LGA    N    33_A      N    33_A     4.225     0    0.635   1.236     8.833   48.571   27.798
LGA    E    34_A      E    34_A     2.005     0    0.017   0.989     4.492   63.571   56.190
LGA    D    35_A      D    35_A     2.843     0    0.158   1.098     4.329   62.976   53.214
LGA    I    36_A      I    36_A     0.528     0    0.036   0.165     0.973   90.476   94.048
LGA    T    37_A      T    37_A     0.413     0    0.045   0.076     0.578  100.000   98.639
LGA    Y    38_A      Y    38_A     0.276     0    0.015   0.095     0.597  100.000   99.206
LGA    D    39_A      D    39_A     0.452     0    0.014   0.065     1.050  100.000   94.107
LGA    E    40_A      E    40_A     0.326     0    0.029   0.123     0.680  100.000   98.942
LGA    L    41_A      L    41_A     0.150     0    0.019   0.085     0.314  100.000  100.000
LGA    V    42_A      V    42_A     0.212     0    0.042   1.335     2.544  100.000   88.844
LGA    L    43_A      L    43_A     0.232     0    0.030   1.250     2.736  100.000   90.238
LGA    M    44_A      M    44_A     0.181     0    0.021   0.657     2.464  100.000   86.786
LGA    M    45_A      M    45_A     0.133     0    0.042   0.068     0.307  100.000  100.000
LGA    Q    46_A      Q    46_A     0.196     0    0.013   0.292     0.968  100.000   96.825
LGA    R    47_A      R    47_A     0.179     0    0.015   1.488     9.233  100.000   59.177
LGA    V    48_A      V    48_A     0.207     0    0.036   0.067     0.234  100.000  100.000
LGA    F    49_A      F    49_A     0.108     0    0.013   0.101     0.278  100.000  100.000
LGA    R    50_A      R    50_A     0.334     0    0.110   0.350     2.770  100.000   82.944
LGA    G    51_A      G    51_A     0.255     0    0.083   0.083     0.341  100.000  100.000
LGA    K    52_A      K    52_A     0.136     0    0.025   1.034     4.312   97.619   82.275
LGA    L    53_A      L    53_A     0.998     0    0.122   1.255     2.969   85.952   79.702
LGA    L    54_A      L    54_A     0.607     0    0.060   1.235     2.738   95.238   84.524
LGA    S    55_A      S    55_A     0.368     0    0.016   0.034     0.763   97.619   95.238
LGA    N    56_A      N    56_A     0.409     0    0.033   0.459     1.730  100.000   93.036
LGA    D    57_A      D    57_A     0.270     0    0.015   0.061     0.550  100.000   98.810
LGA    E    58_A      E    58_A     0.530     0    0.036   0.591     2.861   92.857   77.566
LGA    V    59_A      V    59_A     0.456     0    0.012   1.332     2.625   97.619   87.483
LGA    T    60_A      T    60_A     0.261     0    0.021   0.174     0.665  100.000   98.639
LGA    I    61_A      I    61_A     0.213     0    0.021   0.036     0.532  100.000   98.810
LGA    K    62_A      K    62_A     0.033     0    0.035   0.115     0.303  100.000  100.000
LGA    Y    63_A      Y    63_A     0.139     0    0.028   0.128     0.693  100.000   96.825
LGA    K    64_A      K    64_A     0.249     0    0.017   0.609     2.562  100.000   83.492
LGA    A    65_A      A    65_A     0.233     0    0.024   0.031     0.459  100.000  100.000
LGA    E    66_A      E    66_A     0.860     0    0.658   0.623     3.249   78.095   77.143
LGA    R    67_A      R    67_A     1.473     0    0.173   1.240    11.056   83.690   43.896
LGA    G    68_A      G    68_A     1.353     0    0.084   0.084     1.424   81.429   81.429
LGA    D    69_A      D    69_A     1.414     0    0.016   0.981     2.623   88.333   79.702
LGA    L    70_A      L    70_A     0.343     0    0.091   1.349     2.910   95.238   84.345
LGA    I    71_A      I    71_A     0.338     0    0.016   0.069     0.374  100.000  100.000
LGA    T    72_A      T    72_A     0.343     0    0.023   0.047     0.510   97.619   98.639
LGA    I    73_A      I    73_A     0.285     0    0.029   0.067     0.433  100.000  100.000
LGA    F    74_A      F    74_A     0.205     0    0.030   0.071     0.461  100.000  100.000
LGA    D    75_A      D    75_A     0.147     0    0.019   0.172     0.466  100.000  100.000
LGA    S    76_A      S    76_A     0.133     0    0.062   0.054     0.214  100.000  100.000
LGA    S    77_A      S    77_A     0.411     0    0.027   0.572     1.383  100.000   95.317
LGA    D    78_A      D    78_A     0.212     0    0.024   0.076     0.363  100.000  100.000
LGA    L    79_A      L    79_A     0.119     0    0.036   0.082     0.352  100.000  100.000
LGA    S    80_A      S    80_A     0.233     0    0.025   0.030     0.284  100.000  100.000
LGA    F    81_A      F    81_A     0.286     0    0.013   0.158     0.641  100.000   98.268
LGA    A    82_A      A    82_A     0.173     0    0.060   0.067     0.271  100.000  100.000
LGA    I    83_A      I    83_A     0.077     0    0.060   0.111     0.823  100.000   97.619
LGA    Q    84_A      Q    84_A     0.669     0    0.177   0.871     4.157   90.476   74.815
LGA    C    85_A      C    85_A     1.214     0    0.082   0.098     1.767   81.429   78.571
LGA    S    86_A      S    86_A     1.611     0    0.612   0.719     4.580   71.071   60.952
LGA    R    87_A      R    87_A     3.968     0    0.540   1.408    10.908   30.595   17.056
LGA    I    88_A      I    88_A     8.649     0    0.035   0.568    12.066    7.143    3.810
LGA    L    89_A      L    89_A    12.867     0    0.058   0.119    18.940    0.000    0.000
LGA    K    90_A      K    90_A    15.010     0    0.014   0.560    17.426    0.000    2.910
LGA    L    91_A      L    91_A    22.244     0    0.009   1.253    24.195    0.000    0.000
LGA    T    92_A      T    92_A    26.543     0    0.039   1.121    30.015    0.000    0.000
LGA    L    93_A      L    93_A    34.051     0    0.040   1.131    35.623    0.000    0.000
LGA    F    94_A      F    94_A    39.410     0    0.037   0.083    42.831    0.000    0.000
LGA    V    95_A      V    95_A    46.647     0    0.016   1.329    48.459    0.000    0.000
LGA    N    96_A      N    96_A    51.982     0    0.045   0.097    56.335    0.000    0.000
LGA    G    97_A      G    97_A    46.839     0    0.064   0.064    48.303    0.000    0.000
LGA    Q    98_A      Q    98_A    43.887     0    0.076   1.281    49.668    0.000    0.000
LGA    P    99_A      P    99_A    37.725     0    0.675   0.598    39.549    0.000    0.000
LGA    R   100_A      R   100_A    40.754     0    0.395   1.427    43.596    0.000    0.000
LGA    P   101_A      P   101_A    43.639     0    0.696   0.601    46.484    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):    12.533         12.569                 12.644           78.425   72.965

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.99    80.172    79.860     6.683

LGA_LOCAL      RMSD:   0.992  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.557  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.533  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.623408 * X  +   0.094705 * Y  +   0.776140 * Z  + -12.401690
  Y_new =  -0.781823 * X  +   0.061885 * Y  +   0.620421 * Z  +  15.778255
  Z_new =   0.010725 * X  +  -0.993580 * Y  +   0.112622 * Z  +   3.356159 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.897657 -0.010726 -1.457928   [DEG:  -51.4320   -0.6145  -83.5331 ]
ZXZ:  2.245151  1.457934  3.130799   [DEG:  128.6377   83.5335  179.3815 ]
 
# END of job
