
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       7_A - 88_A        4.70     5.54
  LCS_AVERAGE:     98.61

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      11_A - 74_A        1.76     5.79
  LONGEST_CONTINUOUS_SEGMENT:    64      12_A - 75_A        1.98     5.88
  LCS_AVERAGE:     64.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      13_A - 72_A        0.99     5.83
  LCS_AVERAGE:     54.46

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      3    5   69      0    3    3    4    5    6    7    7    8   10   11   11   12   12   13   18   18   18   22   24 
LCS_GDT     K     7_B     K     7_A      3    5   82      0    3    3    4    5    6    7    7    9   11   12   13   15   15   16   19   54   57   64   66 
LCS_GDT     P     8_B     P     8_A      3    5   82      3    3    3    4    5    6    7    7    8   10   12   13   15   15   46   48   54   64   68   74 
LCS_GDT     K     9_B     K     9_A      3    5   82      3    3    3    7   10   14   26   37   42   55   59   64   67   70   72   72   75   76   77   78 
LCS_GDT     A    10_B     A    10_A      3   63   82      3    3    3    8   21   32   42   49   55   60   67   69   70   73   74   75   76   76   78   79 
LCS_GDT     K    11_B     K    11_A      4   64   82      3    4   13   29   37   45   58   63   66   68   71   74   75   75   76   76   78   78   78   79 
LCS_GDT     R    12_B     R    12_A     31   64   82      3    7   21   34   40   55   61   63   66   70   72   74   75   75   76   76   78   78   78   79 
LCS_GDT     T    13_B     T    13_A     60   64   82     12   29   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     W    14_B     W    14_A     60   64   82      9   25   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     S    15_B     S    15_A     60   64   82     11   35   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    16_B     K    16_A     60   64   82     12   42   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     E    17_B     E    17_A     60   64   82     13   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     E    18_B     E    18_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     E    19_B     E    19_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     E    20_B     E    20_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     A    21_B     A    21_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    22_B     L    22_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     V    23_B     V    23_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     E    24_B     E    24_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     G    25_B     G    25_A     60   64   82     13   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    26_B     L    26_A     60   64   82     13   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    27_B     K    27_A     60   64   82     13   42   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     E    28_B     E    28_A     60   64   82     11   40   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     V    29_B     V    29_A     60   64   82     11   38   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     G    30_B     G    30_A     60   64   82      6   27   46   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     P    31_B     P    31_A     60   64   82      4   27   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     S    32_B     S    32_A     60   64   82     11   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     W    33_B     W    33_A     60   64   82     11   41   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     S    34_B     S    34_A     60   64   82     11   41   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    35_B     K    35_A     60   64   82     12   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     I    36_B     I    36_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    37_B     L    37_A     60   64   82     10   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     D    38_B     D    38_A     60   64   82     11   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    39_B     L    39_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     Y    40_B     Y    40_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     G    41_B     G    41_A     60   64   82     10   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     P    42_B     P    42_A     60   64   82     13   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     G    43_B     G    43_A     60   64   82      3   24   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     G    44_B     G    44_A     60   64   82     12   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    45_B     K    45_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     I    46_B     I    46_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     T    47_B     T    47_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     E    48_B     E    48_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     N    49_B     N    49_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    50_B     L    50_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    51_B     K    51_A     60   64   82     16   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     N    52_B     N    52_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     R    53_B     R    53_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     T    54_B     T    54_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     Q    55_B     Q    55_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     V    56_B     V    56_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     Q    57_B     Q    57_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    58_B     L    58_A     60   64   82     13   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    59_B     K    59_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     D    60_B     D    60_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    61_B     K    61_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     A    62_B     A    62_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     R    63_B     R    63_A     60   64   82     20   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     N    64_B     N    64_A     60   64   82     19   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     W    65_B     W    65_A     60   64   82     18   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    66_B     K    66_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    67_B     L    67_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     Q    68_B     Q    68_A     60   64   82     17   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     Y    69_B     Y    69_A     60   64   82     15   37   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    70_B     L    70_A     60   64   82     13   43   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    71_B     K    71_A     60   64   82     13   41   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     S    72_B     S    72_A     60   64   82      4   25   56   60   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     G    73_B     G    73_A      4   64   82      3    4    9   38   48   59   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    74_B     K    74_A      4   64   82      3    4   11   25   51   60   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     P    75_B     P    75_A      8   64   82      6    7    9   13   19   26   29   40   49   56   62   70   75   75   76   76   78   78   78   79 
LCS_GDT     L    76_B     L    76_A      8   63   82      6    7    9   15   22   30   37   64   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     P    77_B     P    77_A      8   13   82      6    7   14   22   40   57   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     D    78_B     D    78_A      8   13   82      6    7   12   25   48   57   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     Y    79_B     Y    79_A      8   13   82      6    7   27   49   61   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    80_B     L    80_A      8   13   82      6   10   19   47   60   62   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     I    81_B     I    81_A      8   13   82      4    7    9   14   28   57   63   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     K    82_B     K    82_A      8   13   82      4    5    9   15   22   29   37   61   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     V    83_B     V    83_A      6   13   82      4    5   10   16   36   44   61   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     T    84_B     T    84_A      6   13   82      0    4    8   23   36   40   47   60   66   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     G    85_B     G    85_A      6   13   82      2    5    5   17   31   44   58   63   66   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     N    86_B     N    86_A      4   13   82      1    4    6   19   26   40   64   69   71   73   73   74   75   75   76   76   78   78   78   79 
LCS_GDT     L    87_B     L    87_A      4   10   82      0    3    4    5    8   12   13   14   15   17   24   37   55   65   75   76   78   78   78   79 
LCS_GDT     E    88_B     E    88_A      4    7   82      0    3    4    5    8   12   13   14   15   17   24   28   45   57   68   74   78   78   78   79 
LCS_AVERAGE  LCS_A:  72.57  (  54.46   64.64   98.61 )

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     20     43     56     60     61     62     64     69     71     73     73     74     75     75     76     76     78     78     78     79 
GDT PERCENT_AT  24.10  51.81  67.47  72.29  73.49  74.70  77.11  83.13  85.54  87.95  87.95  89.16  90.36  90.36  91.57  91.57  93.98  93.98  93.98  95.18
GDT RMS_LOCAL    0.31   0.64   0.86   0.99   1.12   1.22   1.63   2.02   2.25   2.42   2.42   2.49   2.58   2.58   2.75   2.75   3.21   3.21   3.21   3.42
GDT RMS_ALL_AT   6.14   5.96   5.88   5.83   5.82   5.81   5.89   5.86   5.90   5.88   5.88   5.85   5.82   5.82   5.88   5.88   5.93   5.93   5.93   5.84

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    29.510     0    0.071   1.524    32.209    0.000    0.000
LGA    K     7_B      K     7_A    22.629     0    0.524   1.228    25.141    0.000    0.000
LGA    P     8_B      P     8_A    17.777     0    0.494   0.669    19.539    0.000    0.000
LGA    K     9_B      K     9_A    13.640     0    0.629   1.005    19.259    0.357    0.159
LGA    A    10_B      A    10_A    11.275     0    0.124   0.137    13.582    0.119    0.095
LGA    K    11_B      K    11_A     6.964     0    0.523   0.792     9.476   12.143    8.783
LGA    R    12_B      R    12_A     5.859     0    0.222   1.445    15.564   24.048   10.216
LGA    T    13_B      T    13_A     2.510     0    0.599   0.952     3.727   50.238   55.442
LGA    W    14_B      W    14_A     1.494     0    0.155   0.529     6.260   65.238   54.966
LGA    S    15_B      S    15_A     1.955     0    0.087   0.077     2.045   70.833   71.508
LGA    K    16_B      K    16_A     2.096     0    0.051   1.188     7.283   64.762   50.317
LGA    E    17_B      E    17_A     2.210     0    0.048   1.131     5.651   66.786   53.757
LGA    E    18_B      E    18_A     1.414     0    0.046   0.364     1.989   79.286   79.524
LGA    E    19_B      E    19_A     1.626     0    0.033   0.319     2.328   72.857   75.820
LGA    E    20_B      E    20_A     1.707     0    0.045   0.173     2.369   72.857   70.159
LGA    A    21_B      A    21_A     1.362     0    0.046   0.045     1.475   81.429   81.429
LGA    L    22_B      L    22_A     1.139     0    0.095   0.096     1.493   81.429   81.429
LGA    V    23_B      V    23_A     1.549     0    0.010   1.184     2.660   79.286   73.129
LGA    E    24_B      E    24_A     1.033     0    0.036   0.903     2.986   85.952   80.794
LGA    G    25_B      G    25_A     0.761     0    0.037   0.037     0.906   90.476   90.476
LGA    L    26_B      L    26_A     1.267     0    0.032   0.207     1.559   81.548   81.548
LGA    K    27_B      K    27_A     1.606     0    0.130   1.102     5.664   77.143   57.513
LGA    E    28_B      E    28_A     0.751     0    0.038   0.252     1.455   90.476   90.529
LGA    V    29_B      V    29_A     0.818     0    0.111   0.118     1.102   85.952   87.891
LGA    G    30_B      G    30_A     2.284     0    0.454   0.454     3.819   63.571   63.571
LGA    P    31_B      P    31_A     1.610     0    0.528   0.462     3.466   71.071   63.061
LGA    S    32_B      S    32_A     1.213     0    0.287   0.724     3.365   85.952   75.159
LGA    W    33_B      W    33_A     0.908     0    0.045   1.097     3.976   88.214   72.347
LGA    S    34_B      S    34_A     1.099     0    0.063   0.654     2.860   85.952   80.397
LGA    K    35_B      K    35_A     0.956     0    0.034   0.633     1.626   90.476   84.497
LGA    I    36_B      I    36_A     0.596     0    0.054   0.084     0.706   90.476   91.667
LGA    L    37_B      L    37_A     1.211     0    0.095   1.383     2.986   83.690   77.440
LGA    D    38_B      D    38_A     1.371     0    0.078   0.154     2.601   83.690   74.286
LGA    L    39_B      L    39_A     0.905     0    0.081   0.164     1.896   90.476   84.881
LGA    Y    40_B      Y    40_A     1.077     0    0.212   0.189     1.640   83.690   79.325
LGA    G    41_B      G    41_A     1.111     0    0.139   0.139     1.268   85.952   85.952
LGA    P    42_B      P    42_A     1.170     0    0.658   0.575     2.980   75.357   76.735
LGA    G    43_B      G    43_A     1.336     0    0.519   0.519     2.776   73.214   73.214
LGA    G    44_B      G    44_A     0.576     0    0.116   0.116     2.768   77.619   77.619
LGA    K    45_B      K    45_A     1.102     0    0.076   0.572     2.717   81.548   76.984
LGA    I    46_B      I    46_A     0.818     0    0.143   0.184     1.217   88.214   88.274
LGA    T    47_B      T    47_A     0.767     0    0.072   0.190     1.400   90.476   87.891
LGA    E    48_B      E    48_A     0.408     0    0.088   0.310     2.189   92.857   87.672
LGA    N    49_B      N    49_A     0.570     0    0.127   0.215     1.615   92.857   88.333
LGA    L    50_B      L    50_A     0.335     0    0.298   0.913     2.774   95.357   86.548
LGA    K    51_B      K    51_A     1.284     0    0.229   0.843     2.069   83.690   79.683
LGA    N    52_B      N    52_A     1.407     0    0.116   0.906     5.679   83.690   65.298
LGA    R    53_B      R    53_A     1.181     0    0.138   1.522     7.957   81.429   56.753
LGA    T    54_B      T    54_A     1.469     0    0.070   0.127     2.070   81.429   76.599
LGA    Q    55_B      Q    55_A     1.530     0    0.037   0.269     1.923   75.000   75.714
LGA    V    56_B      V    56_A     1.586     0    0.047   0.056     2.115   77.143   74.150
LGA    Q    57_B      Q    57_A     1.138     0    0.057   1.055     4.847   81.429   69.683
LGA    L    58_B      L    58_A     1.252     0    0.034   1.381     3.977   83.690   74.643
LGA    K    59_B      K    59_A     1.425     0    0.033   0.754     3.958   81.429   73.439
LGA    D    60_B      D    60_A     1.073     0    0.070   0.217     1.840   85.952   81.548
LGA    K    61_B      K    61_A     0.475     0    0.080   1.052     5.644   92.857   76.825
LGA    A    62_B      A    62_A     1.155     0    0.062   0.060     1.452   83.690   83.238
LGA    R    63_B      R    63_A     1.498     0    0.018   0.871     4.445   81.429   64.329
LGA    N    64_B      N    64_A     0.450     0    0.046   0.164     0.777   92.857   92.857
LGA    W    65_B      W    65_A     1.117     0    0.073   1.289     5.655   83.690   67.619
LGA    K    66_B      K    66_A     1.518     0    0.113   0.820     5.773   72.976   56.402
LGA    L    67_B      L    67_A     1.007     0    0.061   0.098     1.285   81.429   85.952
LGA    Q    68_B      Q    68_A     1.212     0    0.047   0.741     2.785   77.143   78.889
LGA    Y    69_B      Y    69_A     2.413     0    0.024   1.455    10.598   64.762   36.190
LGA    L    70_B      L    70_A     1.392     0    0.173   0.244     1.931   75.000   77.143
LGA    K    71_B      K    71_A     1.064     0    0.052   1.400     6.158   81.429   64.339
LGA    S    72_B      S    72_A     3.015     0    0.098   0.129     6.958   67.262   52.302
LGA    G    73_B      G    73_A     4.437     0    0.074   0.074     7.222   34.524   34.524
LGA    K    74_B      K    74_A     4.001     0    0.456   1.123     7.296   27.262   34.921
LGA    P    75_B      P    75_A     8.957     0    0.664   0.960    11.309    8.333    4.830
LGA    L    76_B      L    76_A     6.275     0    0.038   1.294     7.284   16.429   22.024
LGA    P    77_B      P    77_A     4.968     0    0.040   0.574     6.440   31.548   29.524
LGA    D    78_B      D    78_A     4.815     0    0.069   0.328     7.405   34.286   25.000
LGA    Y    79_B      Y    79_A     2.644     0    0.272   1.210     7.969   59.167   43.810
LGA    L    80_B      L    80_A     2.828     0    0.165   0.283     3.816   53.571   54.702
LGA    I    81_B      I    81_A     5.014     0    0.063   0.688     7.317   28.810   21.131
LGA    K    82_B      K    82_A     6.656     0    0.262   0.772    11.360   17.381    8.889
LGA    V    83_B      V    83_A     4.751     0    0.184   0.239     5.015   31.548   32.313
LGA    T    84_B      T    84_A     6.430     0    0.134   0.172    10.844   14.762    8.707
LGA    G    85_B      G    85_A     6.151     0    0.206   0.206     6.235   24.286   24.286
LGA    N    86_B      N    86_A     4.616     0    0.588   1.028     6.159   24.048   36.726
LGA    L    87_B      L    87_A    10.401     0    0.536   1.111    14.992    0.714    0.357
LGA    E    88_B      E    88_A    11.218     0    0.098   0.931    17.834    0.119    0.053

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     5.501          5.355                  6.295           63.616   58.756

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     69    2.02    74.699    74.372     3.257

LGA_LOCAL      RMSD:   2.019  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.863  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   5.501  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.623137 * X  +   0.282115 * Y  +  -0.729459 * Z  +   8.706458
  Y_new =   0.648354 * X  +   0.335298 * Y  +   0.683529 * Z  +  -3.024773
  Z_new =   0.437421 * X  +  -0.898880 * Y  +   0.026026 * Z  +  15.958710 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.805228 -0.452728 -1.541850   [DEG:   46.1362  -25.9394  -88.3415 ]
ZXZ: -2.323700  1.544767  2.688699   [DEG: -133.1382   88.5086  154.0511 ]
 
# END of job
