
#######################################################
#                                                     #
#                        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:    87       1_A - 87_A        4.72     6.43
  LONGEST_CONTINUOUS_SEGMENT:    87       2_A - 88_A        4.62     6.40
  LONGEST_CONTINUOUS_SEGMENT:    87       3_A - 89_A        4.88     6.33
  LCS_AVERAGE:     93.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      11_A - 83_A        1.97     7.56
  LONGEST_CONTINUOUS_SEGMENT:    73      12_A - 84_A        1.97     7.54
  LCS_AVERAGE:     65.71

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      50_A - 80_A        0.94     7.84
  LONGEST_CONTINUOUS_SEGMENT:    31      51_A - 81_A        0.96     7.88
  LCS_AVERAGE:     19.78

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      3    5   87      0    3    4    4    5    5    6    7    8    8    8   10   10   10   13   13   19   20   21   21 
LCS_GDT     H     2_A     H     2_A      3    5   87      3    3    4    4    5    5    6    7    9   10   14   15   17   19   44   49   79   81   84   86 
LCS_GDT     M     3_A     M     3_A      3    5   87      3    3    4    4    5    7    7   18   24   29   34   37   49   58   75   76   83   84   85   86 
LCS_GDT     S     4_A     S     4_A      3    5   87      3    3    4    4    6    9   20   28   48   55   62   74   78   81   81   82   83   84   85   86 
LCS_GDT     G     5_A     G     5_A      3    5   87      3    3    5    5    6   12   29   35   48   57   70   74   78   81   81   82   83   84   85   86 
LCS_GDT     D     6_A     D     6_A      3    5   87      3    9   14   21   27   40   57   66   73   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     N     7_A     N     7_A      3    5   87      3   22   39   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G     8_A     G     8_A      4    7   87      3   10   19   27   39   49   61   69   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G     9_A     G     9_A      5    8   87      3    5    6    8   16   21   30   46   60   66   70   76   78   79   80   82   83   84   85   86 
LCS_GDT     G    10_A     G    10_A      5   38   87      3    5    6    8   16   21   30   47   62   68   74   77   78   79   80   82   83   84   85   86 
LCS_GDT     E    11_A     E    11_A      5   73   87      3    7   14   25   46   55   65   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     R    12_A     R    12_A     12   73   87     11   29   50   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     R    13_A     R    13_A     12   73   87     13   39   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     K    14_A     K    14_A     12   73   87     13   45   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    15_A     G    15_A     12   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     S    16_A     S    16_A     12   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     V    17_A     V    17_A     12   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     K    18_A     K    18_A     12   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     W    19_A     W    19_A     12   73   87     21   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     F    20_A     F    20_A     12   73   87     11   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    21_A     D    21_A     12   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     T    22_A     T    22_A     12   73   87      5   13   41   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     Q    23_A     Q    23_A     12   73   87      5   29   48   55   61   65   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     K    24_A     K    24_A     11   73   87      5   14   24   44   59   64   68   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    25_A     G    25_A     11   73   87      5   14   33   51   59   65   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     F    26_A     F    26_A     16   73   87      8   29   51   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    27_A     G    27_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     F    28_A     F    28_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     I    29_A     I    29_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     T    30_A     T    30_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     P    31_A     P    31_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    32_A     D    32_A     19   73   87     10   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    33_A     D    33_A     19   73   87     11   39   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    34_A     G    34_A     19   73   87      3    4   15   42   59   64   68   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    35_A     G    35_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    36_A     D    36_A     19   73   87     12   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    37_A     D    37_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     L    38_A     L    38_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     F    39_A     F    39_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     V    40_A     V    40_A     19   73   87     13   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     H    41_A     H    41_A     19   73   87      5   27   49   57   62   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     Q    42_A     Q    42_A     19   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     S    43_A     S    43_A     19   73   87     16   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     S    44_A     S    44_A     19   73   87      5   44   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     I    45_A     I    45_A     19   73   87     16   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     R    46_A     R    46_A     12   73   87      7   34   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     S    47_A     S    47_A      8   73   87      4    8   32   51   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     E    48_A     E    48_A      6   73   87      4   10   19   27   37   49   59   69   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    49_A     G    49_A      6   73   87      6   14   25   48   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     F    50_A     F    50_A     31   73   87      5   23   49   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     R    51_A     R    51_A     31   73   87      7   39   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     S    52_A     S    52_A     31   73   87     11   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     L    53_A     L    53_A     31   73   87     12   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     A    54_A     A    54_A     31   73   87     16   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     A    55_A     A    55_A     31   73   87      8   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     E    56_A     E    56_A     31   73   87     12   41   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     E    57_A     E    57_A     31   73   87     16   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     A    58_A     A    58_A     31   73   87      8   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     V    59_A     V    59_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     E    60_A     E    60_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     F    61_A     F    61_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     E    62_A     E    62_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     V    63_A     V    63_A     31   73   87      6   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     E    64_A     E    64_A     31   73   87      7   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     I    65_A     I    65_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    66_A     D    66_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     N    67_A     N    67_A     31   73   87     12   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     N    68_A     N    68_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     N    69_A     N    69_A     31   73   87     16   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     R    70_A     R    70_A     31   73   87     16   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     P    71_A     P    71_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     K    72_A     K    72_A     31   73   87     19   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     A    73_A     A    73_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     I    74_A     I    74_A     31   73   87      7   39   53   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    75_A     D    75_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     V    76_A     V    76_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     S    77_A     S    77_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    78_A     G    78_A     31   73   87     23   46   54   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     P    79_A     P    79_A     31   73   87      4   22   51   58   63   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     D    80_A     D    80_A     31   73   87      4   22   47   57   62   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    81_A     G    81_A     31   73   87      4    9   32   55   61   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     A    82_A     A    82_A     11   73   87      4    9   32   54   62   67   69   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     P    83_A     P    83_A     11   73   87      3    8   14   32   53   65   68   71   74   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     V    84_A     V    84_A     11   73   87      3    6   10   13   23   31   59   69   73   76   77   77   79   81   81   82   83   84   85   86 
LCS_GDT     Q    85_A     Q    85_A      7   15   87      3    5   10   13   16   22   27   39   54   65   75   77   79   81   81   82   83   84   85   86 
LCS_GDT     G    86_A     G    86_A      7   15   87      3    7   10   15   21   25   34   47   60   68   75   77   79   81   81   82   83   84   85   86 
LCS_GDT     N    87_A     N    87_A      4    7   87      3    4    4    4    7    9    9   13   28   34   37   52   59   65   76   79   83   84   85   86 
LCS_GDT     S    88_A     S    88_A      4    7   87      3    4    4    6    7   12   15   18   23   28   31   32   37   38   43   49   55   59   77   85 
LCS_GDT     G    89_A     G    89_A      3    7   87      3    3    4    6    7    9    9   17   21   26   30   31   35   38   43   45   51   58   61   65 
LCS_GDT     G    90_A     G    90_A      3    7   85      3    3    4    6    7   10   13   16   20   26   30   31   34   37   43   45   55   69   77   85 
LCS_GDT     G    91_A     G    91_A      3    7   36      3    3    4    6    7   10   13   16   20   23   24   31   33   37   43   48   55   59   64   80 
LCS_GDT     S    92_A     S    92_A      3    7   36      3    3    4    6    7   10   15   18   21   29   32   37   47   57   61   66   75   81   84   86 
LCS_AVERAGE  LCS_A:  59.61  (  19.78   65.71   93.34 )

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     23     46     54     58     63     67     69     71     74     76     77     77     79     81     81     82     83     84     85     86 
GDT PERCENT_AT  25.00  50.00  58.70  63.04  68.48  72.83  75.00  77.17  80.43  82.61  83.70  83.70  85.87  88.04  88.04  89.13  90.22  91.30  92.39  93.48
GDT RMS_LOCAL    0.31   0.59   0.78   0.92   1.28   1.42   1.55   1.67   2.10   2.20   2.34   2.34   2.73   3.24   3.24   3.30   3.48   3.78   4.00   4.22
GDT RMS_ALL_AT   8.16   8.00   7.87   7.89   7.61   7.60   7.66   7.61   7.38   7.36   7.28   7.28   7.08   6.82   6.82   6.90   6.80   6.68   6.59   6.52

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    20_A      F    20_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    56_A      E    56_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    23.494     0    0.042   0.042    25.614    0.000    0.000
LGA    H     2_A      H     2_A    16.335     0    0.282   1.104    18.779    0.000    0.000
LGA    M     3_A      M     3_A    17.416     0    0.659   1.151    20.605    0.000    0.000
LGA    S     4_A      S     4_A    14.403     0    0.382   0.648    15.569    0.000    0.000
LGA    G     5_A      G     5_A    13.204     0    0.667   0.667    13.538    0.000    0.000
LGA    D     6_A      D     6_A     8.079     0    0.541   1.157     9.383   13.452    8.214
LGA    N     7_A      N     7_A     2.808     0    0.064   1.150     4.790   42.262   49.881
LGA    G     8_A      G     8_A     7.665     0    0.232   0.232    10.177    7.857    7.857
LGA    G     9_A      G     9_A    10.655     0    0.499   0.499    12.156    0.714    0.714
LGA    G    10_A      G    10_A     8.662     0    0.310   0.310     8.837    5.000    5.000
LGA    E    11_A      E    11_A     5.619     0    0.028   0.570     7.883   29.762   20.794
LGA    R    12_A      R    12_A     1.944     0    0.081   0.498     5.546   61.190   54.329
LGA    R    13_A      R    13_A     1.147     0    0.083   0.802     3.544   85.952   72.900
LGA    K    14_A      K    14_A     0.894     0    0.024   0.759     2.798   85.952   79.894
LGA    G    15_A      G    15_A     0.379     0    0.022   0.022     0.497  100.000  100.000
LGA    S    16_A      S    16_A     0.190     0    0.060   0.581     1.945   97.619   93.889
LGA    V    17_A      V    17_A     0.303     0    0.081   0.145     0.935   97.619   98.639
LGA    K    18_A      K    18_A     0.363     0    0.019   0.913     2.166  100.000   87.989
LGA    W    19_A      W    19_A     0.381     0    0.039   0.515     2.883  100.000   84.048
LGA    F    20_A      F    20_A     0.885     0    0.102   0.209     1.643   90.476   83.203
LGA    D    21_A      D    21_A     0.722     0    0.059   0.324     3.464   86.071   74.583
LGA    T    22_A      T    22_A     2.225     0    0.044   1.142     4.168   61.667   54.014
LGA    Q    23_A      Q    23_A     3.502     0    0.061   1.390     4.927   42.262   46.138
LGA    K    24_A      K    24_A     4.496     0    0.080   0.932     4.915   37.262   35.291
LGA    G    25_A      G    25_A     3.851     0    0.076   0.076     3.851   46.667   46.667
LGA    F    26_A      F    26_A     2.111     0    0.060   0.087     3.633   71.190   59.134
LGA    G    27_A      G    27_A     0.318     0    0.145   0.145     0.616   97.619   97.619
LGA    F    28_A      F    28_A     0.064     0    0.064   0.091     0.396  100.000  100.000
LGA    I    29_A      I    29_A     0.146     0    0.038   0.043     0.358  100.000  100.000
LGA    T    30_A      T    30_A     0.175     0    0.047   0.050     0.274  100.000  100.000
LGA    P    31_A      P    31_A     0.653     0    0.047   0.060     0.841   90.476   90.476
LGA    D    32_A      D    32_A     0.726     0    0.140   0.900     2.726   90.476   81.964
LGA    D    33_A      D    33_A     1.864     0    0.068   1.183     3.800   63.690   62.679
LGA    G    34_A      G    34_A     3.924     0    0.053   0.053     3.924   63.690   63.690
LGA    G    35_A      G    35_A     0.876     0    0.459   0.459     2.488   86.429   86.429
LGA    D    36_A      D    36_A     1.080     0    0.027   0.627     2.675   85.952   81.786
LGA    D    37_A      D    37_A     0.680     0    0.045   0.580     2.221   90.476   87.262
LGA    L    38_A      L    38_A     0.680     0    0.012   1.202     2.450   90.476   84.048
LGA    F    39_A      F    39_A     0.776     0    0.029   0.358     1.907   90.476   85.671
LGA    V    40_A      V    40_A     1.132     0    0.012   0.100     1.688   79.405   81.565
LGA    H    41_A      H    41_A     2.425     0    0.137   0.454     6.289   72.976   47.048
LGA    Q    42_A      Q    42_A     1.306     0    0.016   1.148     3.914   83.810   77.302
LGA    S    43_A      S    43_A     0.873     0    0.074   0.590     3.051   85.952   79.206
LGA    S    44_A      S    44_A     1.185     0    0.042   0.634     2.002   83.690   78.730
LGA    I    45_A      I    45_A     0.158     0    0.060   0.690     1.695   92.976   90.714
LGA    R    46_A      R    46_A     1.220     0    0.114   1.177    10.058   77.381   46.797
LGA    S    47_A      S    47_A     3.352     0    0.087   0.140     4.289   47.262   48.175
LGA    E    48_A      E    48_A     6.728     0    0.666   0.986    13.230   14.167    6.931
LGA    G    49_A      G    49_A     4.216     0    0.128   0.128     4.609   43.929   43.929
LGA    F    50_A      F    50_A     2.280     0    0.068   0.248     4.035   63.095   52.381
LGA    R    51_A      R    51_A     1.080     0    0.040   0.933     5.744   85.952   66.407
LGA    S    52_A      S    52_A     1.059     0    0.076   0.127     2.184   88.214   81.746
LGA    L    53_A      L    53_A     0.799     0    0.223   0.332     1.892   86.071   86.012
LGA    A    54_A      A    54_A     0.449     0    0.021   0.028     0.765  100.000   98.095
LGA    A    55_A      A    55_A     0.883     0    0.619   0.601     3.632   78.810   81.143
LGA    E    56_A      E    56_A     1.244     0    0.019   0.691     3.107   83.690   75.185
LGA    E    57_A      E    57_A     0.816     0    0.020   0.707     2.435   90.476   81.746
LGA    A    58_A      A    58_A     0.925     0    0.066   0.089     1.183   90.476   88.667
LGA    V    59_A      V    59_A     0.423     0    0.018   0.138     0.498  100.000  100.000
LGA    E    60_A      E    60_A     0.545     0    0.026   0.163     1.110   90.476   89.471
LGA    F    61_A      F    61_A     0.963     0    0.090   0.137     1.179   85.952   90.563
LGA    E    62_A      E    62_A     1.109     0    0.057   0.848     3.304   81.429   71.534
LGA    V    63_A      V    63_A     1.217     0    0.040   1.238     2.756   81.429   75.578
LGA    E    64_A      E    64_A     1.527     0    0.089   0.618     1.983   77.143   74.762
LGA    I    65_A      I    65_A     1.215     0    0.044   0.603     1.666   83.690   81.488
LGA    D    66_A      D    66_A     0.899     0    0.079   0.699     2.971   85.952   78.631
LGA    N    67_A      N    67_A     1.126     0    0.056   1.008     2.809   83.690   76.488
LGA    N    68_A      N    68_A     1.066     0    0.061   1.417     4.109   85.952   72.143
LGA    N    69_A      N    69_A     0.890     0    0.088   0.197     1.056   88.214   87.083
LGA    R    70_A      R    70_A     0.529     0    0.064   1.163     6.872   90.476   65.455
LGA    P    71_A      P    71_A     0.867     0    0.025   0.348     1.482   90.476   86.599
LGA    K    72_A      K    72_A     0.698     0    0.089   0.665     2.571   90.476   83.968
LGA    A    73_A      A    73_A     0.699     0    0.025   0.039     1.198   85.952   86.857
LGA    I    74_A      I    74_A     1.756     0    0.127   1.366     3.115   79.286   68.274
LGA    D    75_A      D    75_A     1.173     0    0.081   0.347     1.722   81.429   82.679
LGA    V    76_A      V    76_A     1.001     0    0.007   0.095     1.150   81.429   82.721
LGA    S    77_A      S    77_A     0.991     0    0.021   0.138     1.026   90.476   88.968
LGA    G    78_A      G    78_A     1.018     0    0.067   0.067     1.434   81.429   81.429
LGA    P    79_A      P    79_A     2.049     0    0.049   0.283     2.707   64.881   68.367
LGA    D    80_A      D    80_A     2.921     0    0.117   0.954     5.461   53.810   45.893
LGA    G    81_A      G    81_A     3.168     0    0.148   0.148     3.706   50.119   50.119
LGA    A    82_A      A    82_A     2.787     0    0.122   0.155     2.787   61.071   61.810
LGA    P    83_A      P    83_A     4.169     0    0.016   0.374     5.888   37.262   31.905
LGA    V    84_A      V    84_A     5.654     0    0.097   1.054     7.728   18.929   20.000
LGA    Q    85_A      Q    85_A     9.896     0    0.638   1.202    12.565    1.310    0.635
LGA    G    86_A      G    86_A    10.006     0    0.107   0.107    12.591    0.357    0.357
LGA    N    87_A      N    87_A    14.959     0    0.560   1.339    18.064    0.000    0.000
LGA    S    88_A      S    88_A    20.828     0    0.159   0.697    23.767    0.000    0.000
LGA    G    89_A      G    89_A    23.566     0    0.471   0.471    23.566    0.000    0.000
LGA    G    90_A      G    90_A    23.529     0    0.547   0.547    25.325    0.000    0.000
LGA    G    91_A      G    91_A    26.376     0    0.376   0.376    26.544    0.000    0.000
LGA    S    92_A      S    92_A    23.002     0    0.392   0.869    23.944    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):     6.112          6.066                  5.758           63.741   59.786

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     71    1.67    69.837    71.077     4.005

LGA_LOCAL      RMSD:   1.673  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.614  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.112  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.272229 * X  +   0.646971 * Y  +  -0.712264 * Z  +  -4.620249
  Y_new =   0.825875 * X  +  -0.222756 * Y  +  -0.517987 * Z  +   9.844020
  Z_new =  -0.493784 * X  +  -0.729252 * Y  +  -0.473676 * Z  +   2.007934 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.889206  0.516436 -2.146846   [DEG:  108.2435   29.5896 -123.0052 ]
ZXZ: -0.942021  2.064256 -2.546395   [DEG:  -53.9738  118.2732 -145.8977 ]
 
# END of job
