
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , 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:    88       1_A - 88_A        4.77     6.30
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        4.96     6.19
  LCS_AVERAGE:     95.04

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      10_A - 79_A        1.99     6.72
  LCS_AVERAGE:     62.61

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      12_A - 32_A        0.96     7.27
  LCS_AVERAGE:     14.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     G     1_A     G     1_A      5    8   88      4    5    5    7    7    8   11   18   22   26   27   29   31   40   45   50   72   73   82   84 
LCS_GDT     H     2_A     H     2_A      5    8   88      4    5    5    7    7    8   10   18   25   50   62   72   75   80   82   82   82   83   83   85 
LCS_GDT     M     3_A     M     3_A      5    8   88      4    5    5    9   23   35   47   55   62   70   75   79   81   81   82   83   83   84   84   85 
LCS_GDT     S     4_A     S     4_A      5    8   88      4    5    5    7    7   10   16   55   62   69   75   78   81   81   82   82   82   84   84   85 
LCS_GDT     G     5_A     G     5_A      5    8   88      3    5    5    7    7   10   16   61   66   73   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D     6_A     D     6_A      4    8   88      3    4    5    7    7    9   12   16   39   69   75   79   81   81   82   83   83   84   84   85 
LCS_GDT     N     7_A     N     7_A      4    8   88      3    4    4    7    7   10   16   55   63   69   75   79   81   81   82   83   83   84   84   85 
LCS_GDT     G     8_A     G     8_A      5   40   88      3    4    5    6   24   52   64   68   72   74   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G     9_A     G     9_A     13   58   88      6   17   25   48   60   63   68   70   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    10_A     G    10_A     13   70   88      4    7   39   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     E    11_A     E    11_A     13   70   88     16   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     R    12_A     R    12_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     R    13_A     R    13_A     21   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     K    14_A     K    14_A     21   70   88     16   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    15_A     G    15_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     S    16_A     S    16_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     V    17_A     V    17_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     K    18_A     K    18_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     W    19_A     W    19_A     21   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     F    20_A     F    20_A     21   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    21_A     D    21_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     T    22_A     T    22_A     21   70   88      7   26   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     Q    23_A     Q    23_A     21   70   88      7   24   45   55   61   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     K    24_A     K    24_A     21   70   88      6   18   39   55   60   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    25_A     G    25_A     21   70   88      5   16   37   55   60   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     F    26_A     F    26_A     21   70   88      6   24   45   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    27_A     G    27_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     F    28_A     F    28_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     I    29_A     I    29_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     T    30_A     T    30_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     P    31_A     P    31_A     21   70   88     15   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    32_A     D    32_A     21   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    33_A     D    33_A     17   70   88      3   20   44   55   60   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    34_A     G    34_A      9   70   88      3    7    9   16   22   58   67   69   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    35_A     G    35_A     12   70   88     20   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    36_A     D    36_A     12   70   88     14   36   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    37_A     D    37_A     12   70   88     13   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     L    38_A     L    38_A     12   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     F    39_A     F    39_A     12   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     V    40_A     V    40_A     12   70   88     18   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     H    41_A     H    41_A     12   70   88      6   30   39   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     Q    42_A     Q    42_A     12   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     S    43_A     S    43_A     12   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     S    44_A     S    44_A     12   70   88      5   24   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     I    45_A     I    45_A     12   70   88     10   36   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     R    46_A     R    46_A     12   70   88      5   21   45   53   60   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     S    47_A     S    47_A      8   70   88      3   13   29   47   57   64   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     E    48_A     E    48_A      6   70   88      4    4    7   10   25   41   54   65   70   74   76   76   77   78   81   83   83   84   84   85 
LCS_GDT     G    49_A     G    49_A      6   70   88      4    8   20   44   55   63   68   72   73   75   76   78   81   81   82   83   83   84   84   85 
LCS_GDT     F    50_A     F    50_A     18   70   88      5   16   32   52   60   64   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     R    51_A     R    51_A     18   70   88      7   23   48   54   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     S    52_A     S    52_A     18   70   88      7   33   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     L    53_A     L    53_A     18   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     A    54_A     A    54_A     18   70   88     11   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     A    55_A     A    55_A     18   70   88      7   32   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     E    56_A     E    56_A     18   70   88      4   20   47   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     E    57_A     E    57_A     18   70   88     14   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     A    58_A     A    58_A     18   70   88     13   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     V    59_A     V    59_A     18   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     E    60_A     E    60_A     18   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     F    61_A     F    61_A     18   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     E    62_A     E    62_A     18   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     V    63_A     V    63_A     18   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     E    64_A     E    64_A     18   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     I    65_A     I    65_A     18   70   88      4   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    66_A     D    66_A     18   70   88      4   30   45   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     N    67_A     N    67_A     18   70   88      6   24   39   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     N    68_A     N    68_A     18   70   88      4    9   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     N    69_A     N    69_A      7   70   88      4    6   10   15   45   65   68   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     R    70_A     R    70_A      4   70   88      3    3   13   50   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     P    71_A     P    71_A      9   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     K    72_A     K    72_A      9   70   88     10   35   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     A    73_A     A    73_A     10   70   88     10   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     I    74_A     I    74_A     10   70   88      5   30   47   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    75_A     D    75_A     10   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     V    76_A     V    76_A     10   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     S    77_A     S    77_A     10   70   88     21   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    78_A     G    78_A     10   70   88     13   37   48   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     P    79_A     P    79_A     10   70   88      3    7   39   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     D    80_A     D    80_A     10   36   88      4   11   39   55   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     G    81_A     G    81_A     10   36   88      4   14   38   53   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     A    82_A     A    82_A     10   36   88      4   15   40   53   62   65   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     P    83_A     P    83_A     10   36   88      4    9   28   50   60   64   69   72   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     V    84_A     V    84_A      5   36   88      4    6    9   11   15   28   62   70   73   75   76   79   81   81   82   83   83   84   84   85 
LCS_GDT     Q    85_A     Q    85_A      5   15   88      4    5    7   10   15   20   26   31   36   56   70   74   77   78   80   83   83   84   84   85 
LCS_GDT     G    86_A     G    86_A      5   15   88      4    5    9   11   19   22   28   38   56   68   71   74   77   78   80   83   83   84   84   85 
LCS_GDT     N    87_A     N    87_A      3    6   88      3    3    3    4    5    7   21   24   27   31   37   43   50   60   68   72   74   79   81   83 
LCS_GDT     S    88_A     S    88_A      3    6   88      3    3    3    4    5    6   11   12   15   21   29   32   36   40   47   48   57   67   70   74 
LCS_GDT     G    89_A     G    89_A      3    6   88      3    3    3    4    4    7   11   14   24   28   30   34   38   45   48   56   59   68   71   74 
LCS_GDT     G    90_A     G    90_A      3    6   86      3    3    3    4    5    7   11   18   22   28   30   32   36   40   47   55   59   66   71   74 
LCS_GDT     G    91_A     G    91_A      3    6   84      3    3    3    4    5    7   11   19   22   28   33   40   48   52   58   67   71   72   76   78 
LCS_GDT     S    92_A     S    92_A      3    5   42      3    3    3    4    4    7   14   19   24   28   33   40   48   52   58   67   71   77   77   80 
LCS_AVERAGE  LCS_A:  57.36  (  14.44   62.61   95.04 )

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     21     37     48     55     62     65     69     72     73     75     76     79     81     81     82     83     83     84     84     85 
GDT PERCENT_AT  22.83  40.22  52.17  59.78  67.39  70.65  75.00  78.26  79.35  81.52  82.61  85.87  88.04  88.04  89.13  90.22  90.22  91.30  91.30  92.39
GDT RMS_LOCAL    0.35   0.59   0.85   1.07   1.33   1.45   1.65   1.84   1.89   2.05   2.19   2.83   3.06   3.06   3.33   3.30   3.30   3.46   3.46   3.71
GDT RMS_ALL_AT   6.80   6.77   6.72   6.85   6.75   6.77   6.79   6.70   6.77   6.70   6.69   6.68   6.64   6.64   6.65   6.49   6.49   6.49   6.49   6.49

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    20.312     0    0.319   0.319    20.379    0.000    0.000
LGA    H     2_A      H     2_A    16.269     0    0.085   1.312    19.444    0.000    0.000
LGA    M     3_A      M     3_A    11.521     0    0.090   1.017    12.703    0.000    2.500
LGA    S     4_A      S     4_A    12.879     0    0.458   0.716    15.732    0.000    0.000
LGA    G     5_A      G     5_A     9.515     0    0.686   0.686    10.465    0.476    0.476
LGA    D     6_A      D     6_A     9.042     0    0.262   0.831     9.873    1.190    3.690
LGA    N     7_A      N     7_A    10.413     0    0.673   0.558    11.539    1.190    0.595
LGA    G     8_A      G     8_A     7.403     0    0.554   0.554     7.723   12.857   12.857
LGA    G     9_A      G     9_A     4.860     0    0.335   0.335     5.170   37.738   37.738
LGA    G    10_A      G    10_A     2.635     0    0.162   0.162     4.214   50.357   50.357
LGA    E    11_A      E    11_A     1.390     0    0.050   0.652     3.554   88.333   70.423
LGA    R    12_A      R    12_A     0.775     0    0.048   1.512     8.106   88.214   61.472
LGA    R    13_A      R    13_A     0.926     0    0.026   1.321     3.705   92.857   71.126
LGA    K    14_A      K    14_A     0.403     0    0.015   1.254     5.525   97.619   79.048
LGA    G    15_A      G    15_A     0.266     0    0.056   0.056     0.303  100.000  100.000
LGA    S    16_A      S    16_A     0.403     0    0.082   0.561     2.156   95.238   89.365
LGA    V    17_A      V    17_A     0.437     0    0.061   0.142     0.756   97.619   97.279
LGA    K    18_A      K    18_A     0.259     0    0.049   1.115     3.298  100.000   87.407
LGA    W    19_A      W    19_A     0.790     0    0.059   0.604     3.063   95.238   77.279
LGA    F    20_A      F    20_A     0.991     0    0.109   0.282     1.464   85.952   86.364
LGA    D    21_A      D    21_A     0.604     0    0.047   0.927     3.160   90.595   78.929
LGA    T    22_A      T    22_A     1.749     0    0.162   0.155     2.999   73.333   69.728
LGA    Q    23_A      Q    23_A     2.699     0    0.024   1.174     4.589   54.286   50.847
LGA    K    24_A      K    24_A     3.621     0    0.019   0.757     4.794   43.452   42.857
LGA    G    25_A      G    25_A     3.355     0    0.024   0.024     3.355   50.000   50.000
LGA    F    26_A      F    26_A     2.176     0    0.058   0.339     3.381   70.952   60.216
LGA    G    27_A      G    27_A     0.370     0    0.069   0.069     0.915   95.238   95.238
LGA    F    28_A      F    28_A     0.513     0    0.048   0.174     1.452   97.619   90.606
LGA    I    29_A      I    29_A     0.381     0    0.071   0.086     0.549   97.619   98.810
LGA    T    30_A      T    30_A     0.510     0    0.084   0.112     0.935   97.619   94.558
LGA    P    31_A      P    31_A     0.765     0    0.118   0.456     1.121   88.214   90.544
LGA    D    32_A      D    32_A     0.719     0    0.024   0.993     2.738   81.667   75.357
LGA    D    33_A      D    33_A     3.122     0    0.203   0.517     5.840   44.524   35.536
LGA    G    34_A      G    34_A     5.228     0    0.667   0.667     5.228   37.500   37.500
LGA    G    35_A      G    35_A     0.865     0    0.452   0.452     2.346   84.048   84.048
LGA    D    36_A      D    36_A     1.289     0    0.082   0.357     2.442   81.429   77.202
LGA    D    37_A      D    37_A     0.900     0    0.056   0.572     2.516   88.214   82.917
LGA    L    38_A      L    38_A     0.862     0    0.032   1.418     4.070   90.476   79.345
LGA    F    39_A      F    39_A     0.847     0    0.045   0.340     1.445   90.476   90.563
LGA    V    40_A      V    40_A     1.152     0    0.029   1.015     2.921   77.143   74.422
LGA    H    41_A      H    41_A     2.400     0    0.105   0.407     6.138   77.381   49.286
LGA    Q    42_A      Q    42_A     0.901     0    0.051   1.202     2.665   90.595   80.000
LGA    S    43_A      S    43_A     1.000     0    0.123   0.733     3.548   79.643   73.889
LGA    S    44_A      S    44_A     1.526     0    0.094   0.635     2.929   77.143   73.095
LGA    I    45_A      I    45_A     0.932     0    0.096   0.700     2.271   79.643   82.857
LGA    R    46_A      R    46_A     2.180     0    0.552   0.794     4.841   54.762   57.619
LGA    S    47_A      S    47_A     3.653     0    0.172   0.674     4.637   42.262   47.302
LGA    E    48_A      E    48_A     7.021     0    0.652   1.000    13.680   10.833    5.291
LGA    G    49_A      G    49_A     4.895     0    0.284   0.284     4.990   42.500   42.500
LGA    F    50_A      F    50_A     3.430     0    0.131   0.227     6.737   46.667   30.519
LGA    R    51_A      R    51_A     1.863     0    0.072   0.786     2.957   70.833   71.472
LGA    S    52_A      S    52_A     1.430     0    0.078   0.137     2.336   79.286   75.794
LGA    L    53_A      L    53_A     0.782     0    0.043   0.162     1.066   85.952   88.214
LGA    A    54_A      A    54_A     0.540     0    0.073   0.082     0.607   92.857   92.381
LGA    A    55_A      A    55_A     1.201     0    0.622   0.602     3.303   75.833   75.238
LGA    E    56_A      E    56_A     1.746     0    0.025   0.917     6.143   77.143   57.354
LGA    E    57_A      E    57_A     0.833     0    0.036   0.840     4.381   88.214   71.164
LGA    A    58_A      A    58_A     0.918     0    0.045   0.076     1.219   90.476   88.667
LGA    V    59_A      V    59_A     0.630     0    0.042   0.146     0.847   90.476   91.837
LGA    E    60_A      E    60_A     0.689     0    0.058   0.569     1.890   90.476   82.646
LGA    F    61_A      F    61_A     0.708     0    0.018   0.099     0.848   90.476   93.074
LGA    E    62_A      E    62_A     0.718     0    0.034   0.928     2.875   90.476   80.106
LGA    V    63_A      V    63_A     0.960     0    0.099   0.974     2.261   90.476   82.993
LGA    E    64_A      E    64_A     1.068     0    0.042   0.949     4.046   81.429   68.783
LGA    I    65_A      I    65_A     1.242     0    0.042   1.196     3.175   77.143   68.393
LGA    D    66_A      D    66_A     2.072     0    0.047   0.865     3.755   66.786   64.107
LGA    N    67_A      N    67_A     3.374     0    0.134   1.072     7.367   51.905   39.048
LGA    N    68_A      N    68_A     1.623     0    0.253   1.115     5.273   69.048   64.226
LGA    N    69_A      N    69_A     3.953     0    0.684   1.290    10.276   55.595   31.131
LGA    R    70_A      R    70_A     2.902     0    0.120   1.211     8.759   61.190   33.463
LGA    P    71_A      P    71_A     1.122     0    0.070   0.298     2.715   79.286   71.973
LGA    K    72_A      K    72_A     1.167     0    0.067   0.691     3.200   83.690   76.138
LGA    A    73_A      A    73_A     1.074     0    0.094   0.097     2.182   75.119   76.381
LGA    I    74_A      I    74_A     1.784     0    0.091   1.433     3.783   81.548   68.631
LGA    D    75_A      D    75_A     0.926     0    0.167   0.878     3.710   83.690   74.762
LGA    V    76_A      V    76_A     0.918     0    0.049   0.952     3.044   90.476   83.401
LGA    S    77_A      S    77_A     0.778     0    0.058   0.612     1.933   90.476   87.540
LGA    G    78_A      G    78_A     0.860     0    0.124   0.124     1.315   85.952   85.952
LGA    P    79_A      P    79_A     2.662     0    0.680   0.608     5.429   51.548   60.884
LGA    D    80_A      D    80_A     2.972     0    0.111   0.992     5.985   51.905   41.726
LGA    G    81_A      G    81_A     2.668     0    0.037   0.037     2.950   59.048   59.048
LGA    A    82_A      A    82_A     2.156     0    0.165   0.210     2.156   72.976   71.333
LGA    P    83_A      P    83_A     3.268     0    0.073   0.428     4.836   45.119   40.068
LGA    V    84_A      V    84_A     5.135     0    0.033   1.111     6.379   25.952   26.803
LGA    Q    85_A      Q    85_A     9.252     0    0.099   1.219    10.970    2.262    1.058
LGA    G    86_A      G    86_A     9.411     0    0.689   0.689    12.209    0.714    0.714
LGA    N    87_A      N    87_A    14.572     0    0.590   0.746    17.998    0.000    0.000
LGA    S    88_A      S    88_A    19.590     0    0.633   0.803    22.628    0.000    0.000
LGA    G    89_A      G    89_A    21.502     0    0.358   0.358    21.713    0.000    0.000
LGA    G    90_A      G    90_A    21.992     0    0.484   0.484    21.992    0.000    0.000
LGA    G    91_A      G    91_A    19.273     0    0.611   0.611    20.830    0.000    0.000
LGA    S    92_A      S    92_A    18.995     0    0.064   0.685    20.316    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     6.064          6.069                  5.938           62.354   57.348

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     72    1.84    67.120    68.703     3.714

LGA_LOCAL      RMSD:   1.838  Number of atoms:   72  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.700  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.064  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.651922 * X  +  -0.721842 * Y  +   0.232253 * Z  +  -4.648510
  Y_new =   0.386490 * X  +   0.579825 * Y  +   0.717237 * Z  + -59.876766
  Z_new =  -0.652398 * X  +  -0.377819 * Y  +   0.656985 * Z  + -10.659320 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.535142  0.710744 -0.521895   [DEG:   30.6614   40.7226  -29.9024 ]
ZXZ:  2.828431  0.853983 -2.095724   [DEG:  162.0572   48.9296 -120.0762 ]
 
# END of job
