
#######################################################
#                                                     #
#                        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        4.08    14.36
  LCS_AVERAGE:     81.87

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        1.93    14.52
  LCS_AVERAGE:     72.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      58_A - 86_A        0.97    14.75
  LCS_AVERAGE:     20.54

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     18   73   78      3   10   39   58   62   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    16_A     L    16_A     18   73   78     15   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    17_A     I    17_A     18   73   78     18   45   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    18_A     I    18_A     18   73   78     23   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    19_A     K    19_A     18   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     A    20_A     A    20_A     18   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     18   73   78     18   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    22_A     L    22_A     18   73   78     18   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     G    23_A     G    23_A     18   73   78     21   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    24_A     E    24_A     18   73   78     23   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    25_A     D    25_A     18   73   78     20   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    26_A     I    26_A     18   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    27_A     R    27_A     18   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    28_A     R    28_A     18   73   78     20   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    29_A     I    29_A     18   73   78     14   45   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     P    30_A     P    30_A     18   73   78     13   42   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    31_A     I    31_A     18   73   78     15   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     H    32_A     H    32_A     18   73   78      7   42   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     N    33_A     N    33_A      5   73   78      3    8   26   53   60   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    34_A     E    34_A     16   73   78      3    8   32   50   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    35_A     D    35_A     16   73   78     22   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    36_A     I    36_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     T    37_A     T    37_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    39_A     D    39_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    40_A     E    40_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    41_A     L    41_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     V    42_A     V    42_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    43_A     L    43_A     16   73   78     23   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     M    44_A     M    44_A     16   73   78     23   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     M    45_A     M    45_A     16   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     16   73   78     18   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    47_A     R    47_A     16   73   78     18   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     V    48_A     V    48_A     16   73   78     20   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     F    49_A     F    49_A     16   73   78     16   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    50_A     R    50_A      4   73   78      4    4    4   15   28   55   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     G    51_A     G    51_A      4   73   78      4    4   12   20   27   50   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    52_A     K    52_A      4   73   78      4    4    4   34   49   60   65   68   70   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    53_A     L    53_A      4   73   78      4    7   15   35   60   63   67   68   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    54_A     L    54_A      4   73   78      3   10   42   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    55_A     S    55_A      4   73   78      3   19   41   56   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     N    56_A     N    56_A      4   73   78      3    4    4    4    5    6   20   52   68   71   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    57_A     D    57_A      3   73   78      3    3    3    5   17   34   59   68   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    58_A     E    58_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     V    59_A     V    59_A     29   73   78      7   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     T    60_A     T    60_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    61_A     I    61_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    62_A     K    62_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     29   73   78     21   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     K    64_A     K    64_A     29   73   78     14   41   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     A    65_A     A    65_A     29   73   78     14   41   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     E    66_A     E    66_A     29   73   78     13   41   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    67_A     R    67_A     29   73   78      4   10   20   45   62   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     G    68_A     G    68_A     29   73   78      6   25   49   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    69_A     D    69_A     29   73   78     14   41   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    70_A     L    70_A     29   73   78     19   47   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    71_A     I    71_A     29   73   78      8   43   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     T    72_A     T    72_A     29   73   78      7   45   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    73_A     I    73_A     29   73   78     17   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     F    74_A     F    74_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    75_A     D    75_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    76_A     S    76_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    77_A     S    77_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     D    78_A     D    78_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    79_A     L    79_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    80_A     S    80_A     29   73   78     19   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     F    81_A     F    81_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     A    82_A     A    82_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    83_A     I    83_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     29   73   78     26   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     C    85_A     C    85_A     29   73   78     22   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     S    86_A     S    86_A     29   73   78      6   48   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     R    87_A     R    87_A     20   73   78      4   31   56   61   63   65   67   69   71   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     I    88_A     I    88_A      4   32   78      3    3    9   16   21   45   62   67   70   73   74   74   74   74   74   75   75   75   75   76 
LCS_GDT     L    89_A     L    89_A      7    9   78      3    5    7    8    8    8   12   16   26   35   60   67   72   74   74   75   75   75   75   76 
LCS_GDT     K    90_A     K    90_A      7    9   78      3    5    7    8    8    8    9   10   11   15   18   28   36   42   59   67   73   75   75   76 
LCS_GDT     L    91_A     L    91_A      7    9   78      3    5    7    8    8    8    9   10   11   12   12   12   12   14   16   16   17   19   27   37 
LCS_GDT     T    92_A     T    92_A      7    9   78      3    5    7    8    8    8    9   10   11   12   12   12   12   14   15   15   17   19   21   24 
LCS_GDT     L    93_A     L    93_A      7    9   14      4    5    7    8    8    8    9   10   11   12   12   12   12   14   15   15   17   19   21   24 
LCS_GDT     F    94_A     F    94_A      7    9   14      4    5    7    8    8    8    9   10   11   12   12   12   12   14   15   15   17   19   21   24 
LCS_GDT     V    95_A     V    95_A      7    9   14      4    5    7    8    8    8    9   10   11   12   12   12   12   14   15   15   17   19   21   24 
LCS_GDT     N    96_A     N    96_A      6    9   14      4    5    6    8    8    8    9   10   11   12   12   12   12   14   15   15   17   18   21   21 
LCS_GDT     G    97_A     G    97_A      4    5   14      3    3    4    4    5    7    9   10   11   12   12   12   12   14   15   15   17   19   21   24 
LCS_GDT     Q    98_A     Q    98_A      4    5   14      3    3    4    4    5    5    5    6    7   12   12   12   12   14   15   15   17   19   21   24 
LCS_GDT     P    99_A     P    99_A      4    5   13      3    3    4    4    5    5    5    6    6    6    8    8    9   11   13   15   17   19   21   24 
LCS_GDT     R   100_A     R   100_A      4    5    8      3    3    4    4    5    5    5    6    6    6    6    7    7    9   11   14   17   19   21   24 
LCS_GDT     P   101_A     P   101_A      3    5    8      3    3    3    4    5    5    5    6    6    6    6    7    7    9   11   15   17   19   21   22 
LCS_AVERAGE  LCS_A:  58.18  (  20.54   72.11   81.87 )

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     26     48     56     61     63     65     67     69     71     73     74     74     74     74     74     75     75     75     75     76 
GDT PERCENT_AT  29.89  55.17  64.37  70.11  72.41  74.71  77.01  79.31  81.61  83.91  85.06  85.06  85.06  85.06  85.06  86.21  86.21  86.21  86.21  87.36
GDT RMS_LOCAL    0.35   0.61   0.75   0.92   1.03   1.15   1.30   1.55   1.71   1.90   2.03   2.03   2.03   2.03   2.03   2.31   2.31   2.31   2.31   2.73
GDT RMS_ALL_AT  14.53  14.58  14.54  14.54  14.57  14.58  14.54  14.59  14.54  14.51  14.53  14.53  14.53  14.53  14.53  14.53  14.53  14.53  14.53  14.51

# Checking swapping
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     3.148     0    0.499   1.064    11.859   55.357   33.175
LGA    L    16_A      L    16_A     1.151     0    0.058   0.949     3.762   79.286   71.905
LGA    I    17_A      I    17_A     1.627     0    0.041   0.926     2.789   75.000   67.976
LGA    I    18_A      I    18_A     0.952     0    0.038   0.123     1.500   88.214   84.881
LGA    K    19_A      K    19_A     0.975     0    0.072   0.546     1.672   90.476   85.503
LGA    A    20_A      A    20_A     0.460     0    0.060   0.061     0.628   97.619   98.095
LGA    Q    21_A      Q    21_A     0.609     0    0.051   1.000     3.622   90.476   74.392
LGA    L    22_A      L    22_A     0.948     0    0.429   1.138     3.752   82.143   75.952
LGA    G    23_A      G    23_A     1.187     0    0.074   0.074     1.605   83.810   83.810
LGA    E    24_A      E    24_A     0.711     0    0.131   1.072     4.805   95.238   70.370
LGA    D    25_A      D    25_A     0.602     0    0.105   0.383     2.889   92.857   83.036
LGA    I    26_A      I    26_A     0.593     0    0.055   0.109     1.296   90.476   88.214
LGA    R    27_A      R    27_A     0.678     0    0.031   1.226     5.659   90.476   74.372
LGA    R    28_A      R    28_A     1.228     0    0.089   1.277     4.823   83.690   70.043
LGA    I    29_A      I    29_A     1.584     0    0.102   1.050     3.590   75.000   67.262
LGA    P    30_A      P    30_A     1.777     0    0.072   0.440     2.126   75.000   75.374
LGA    I    31_A      I    31_A     1.092     0    0.073   0.573     2.685   81.429   81.786
LGA    H    32_A      H    32_A     1.322     0    0.599   1.195     6.315   75.357   50.381
LGA    N    33_A      N    33_A     3.842     0    0.586   0.824    10.148   50.238   27.976
LGA    E    34_A      E    34_A     3.074     0    0.702   0.548     9.317   61.548   33.915
LGA    D    35_A      D    35_A     0.532     0    0.465   1.129     4.674   83.810   68.036
LGA    I    36_A      I    36_A     0.458     0    0.088   1.048     2.669   95.238   83.452
LGA    T    37_A      T    37_A     0.666     0    0.069   1.019     2.691   90.476   83.197
LGA    Y    38_A      Y    38_A     0.422     0    0.040   0.075     0.831  100.000   94.444
LGA    D    39_A      D    39_A     0.751     0    0.059   0.181     1.504   90.476   84.881
LGA    E    40_A      E    40_A     0.471     0    0.043   1.097     3.249   97.619   87.143
LGA    L    41_A      L    41_A     0.447     0    0.031   0.150     0.803  100.000   97.619
LGA    V    42_A      V    42_A     0.407     0    0.020   1.018     2.522  100.000   90.000
LGA    L    43_A      L    43_A     0.216     0    0.012   1.066     2.923  100.000   89.286
LGA    M    44_A      M    44_A     0.429     0    0.052   0.744     1.922  100.000   90.833
LGA    M    45_A      M    45_A     0.404     0    0.015   0.587     1.498  100.000   95.298
LGA    Q    46_A      Q    46_A     0.554     0    0.068   1.508     5.092   92.857   70.370
LGA    R    47_A      R    47_A     0.932     0    0.023   1.468     6.924   88.214   62.424
LGA    V    48_A      V    48_A     1.137     0    0.398   1.037     4.845   83.810   69.796
LGA    F    49_A      F    49_A     0.850     0    0.579   0.468     2.674   85.952   73.333
LGA    R    50_A      R    50_A     4.569     0    0.592   1.429    13.581   36.190   14.589
LGA    G    51_A      G    51_A     4.826     0    0.121   0.121     6.414   32.262   32.262
LGA    K    52_A      K    52_A     5.218     0    0.220   1.171    11.908   28.095   15.344
LGA    L    53_A      L    53_A     3.929     0    0.589   1.184     9.537   59.762   34.702
LGA    L    54_A      L    54_A     2.129     0    0.030   0.167     6.519   68.810   48.571
LGA    S    55_A      S    55_A     2.450     0    0.661   0.601     5.904   52.262   44.603
LGA    N    56_A      N    56_A     6.484     0    0.248   0.773    11.160   20.000   10.893
LGA    D    57_A      D    57_A     5.367     0    0.602   1.146     7.455   38.095   24.464
LGA    E    58_A      E    58_A     1.043     0    0.198   0.542     7.107   73.095   47.460
LGA    V    59_A      V    59_A     0.929     0    0.130   1.164     2.927   90.476   81.905
LGA    T    60_A      T    60_A     0.897     0    0.036   0.246     1.134   88.214   87.891
LGA    I    61_A      I    61_A     0.894     0    0.080   0.087     1.150   90.476   88.214
LGA    K    62_A      K    62_A     0.511     0    0.062   0.656     2.552   95.238   83.968
LGA    Y    63_A      Y    63_A     0.152     0    0.068   0.249     2.068   97.619   87.063
LGA    K    64_A      K    64_A     0.956     0    0.090   0.867     4.617   85.952   68.836
LGA    A    65_A      A    65_A     1.321     0    0.040   0.055     1.397   81.429   81.429
LGA    E    66_A      E    66_A     1.525     0    0.613   1.302     2.964   77.143   75.026
LGA    R    67_A      R    67_A     4.001     0    0.415   1.523    14.652   52.619   23.333
LGA    G    68_A      G    68_A     2.367     0    0.169   0.169     3.060   65.119   65.119
LGA    D    69_A      D    69_A     1.542     0    0.061   0.607     3.314   77.143   67.202
LGA    L    70_A      L    70_A     0.502     0    0.055   1.036     3.077   88.214   77.024
LGA    I    71_A      I    71_A     1.195     0    0.057   0.644     4.054   85.952   74.940
LGA    T    72_A      T    72_A     1.315     0    0.058   0.102     1.632   81.429   80.204
LGA    I    73_A      I    73_A     0.954     0    0.081   0.135     1.160   85.952   85.952
LGA    F    74_A      F    74_A     0.832     0    0.069   0.186     2.069   88.214   80.866
LGA    D    75_A      D    75_A     0.480     0    0.035   0.055     1.276  100.000   92.976
LGA    S    76_A      S    76_A     0.422     0    0.062   0.673     2.983   95.238   88.095
LGA    S    77_A      S    77_A     0.851     0    0.066   0.535     1.431   92.857   92.143
LGA    D    78_A      D    78_A     0.710     0    0.084   1.026     3.296   90.476   76.905
LGA    L    79_A      L    79_A     0.410     0    0.048   1.342     2.999   97.619   83.512
LGA    S    80_A      S    80_A     0.887     0    0.046   0.693     1.782   90.476   86.032
LGA    F    81_A      F    81_A     1.187     0    0.030   1.286     3.971   83.690   73.766
LGA    A    82_A      A    82_A     0.874     0    0.018   0.042     1.090   90.476   88.667
LGA    I    83_A      I    83_A     0.439     0    0.034   1.045     3.059   95.238   80.417
LGA    Q    84_A      Q    84_A     0.950     0    0.030   0.843     4.660   90.476   76.138
LGA    C    85_A      C    85_A     1.276     0    0.228   0.218     2.173   79.286   75.794
LGA    S    86_A      S    86_A     1.322     0    0.605   0.771     3.431   79.524   73.492
LGA    R    87_A      R    87_A     1.885     0    0.547   1.315    12.065   56.190   26.061
LGA    I    88_A      I    88_A     5.868     0    0.124   1.299    10.096   23.810   14.940
LGA    L    89_A      L    89_A     9.909     0    0.346   1.044    14.135    1.310    1.012
LGA    K    90_A      K    90_A    13.418     0    0.102   0.598    14.241    0.000    0.000
LGA    L    91_A      L    91_A    17.952     0    0.047   1.039    21.356    0.000    0.000
LGA    T    92_A      T    92_A    21.334     0    0.031   0.108    23.490    0.000    0.000
LGA    L    93_A      L    93_A    27.991     0    0.081   0.131    30.721    0.000    0.000
LGA    F    94_A      F    94_A    32.724     0    0.034   0.081    36.359    0.000    0.000
LGA    V    95_A      V    95_A    39.998     0    0.050   0.095    44.108    0.000    0.000
LGA    N    96_A      N    96_A    44.354     0    0.386   0.472    46.337    0.000    0.000
LGA    G    97_A      G    97_A    44.232     0    0.719   0.719    44.314    0.000    0.000
LGA    Q    98_A      Q    98_A    46.099     0    0.142   0.682    50.037    0.000    0.000
LGA    P    99_A      P    99_A    45.213     0    0.701   0.616    46.705    0.000    0.000
LGA    R   100_A      R   100_A    50.013     0    0.370   1.130    52.733    0.000    0.000
LGA    P   101_A      P   101_A    55.691     0    0.588   0.558    59.335    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):    12.832         12.929                 12.953           68.145   59.199

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     69    1.55    72.701    74.475     4.182

LGA_LOCAL      RMSD:   1.550  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.590  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.832  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.142027 * X  +   0.925310 * Y  +   0.351609 * Z  + -17.684048
  Y_new =   0.189996 * X  +   0.374089 * Y  +  -0.907722 * Z  +  -3.872969
  Z_new =  -0.971458 * X  +  -0.062117 * Y  +  -0.228936 * Z  +  35.722874 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.212713  1.331300 -2.876642   [DEG:  126.7791   76.2779 -164.8195 ]
ZXZ:  0.369557  1.801781 -1.634651   [DEG:   21.1740  103.2344  -93.6586 ]
 
# END of job
