
#######################################################
#                                                     #
#                        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:    91       1_A - 91_A        4.87     5.20
  LCS_AVERAGE:     98.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39       8_A - 46_A        1.96     6.20
  LONGEST_CONTINUOUS_SEGMENT:    39       9_A - 47_A        1.88     5.83
  LCS_AVERAGE:     35.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      13_A - 32_A        0.97     5.74
  LCS_AVERAGE:     13.40

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      4    8   91      3    4    4    6    8   27   36   55   64   71   75   77   78   82   83   83   84   85   86   86 
LCS_GDT     H     2_A     H     2_A      4    8   91      3    5   13   24   48   59   66   70   74   76   80   80   82   82   83   84   84   85   86   86 
LCS_GDT     M     3_A     M     3_A      4    8   91      3   10   20   36   54   64   68   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     S     4_A     S     4_A      4    8   91      3    8   41   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G     5_A     G     5_A      4    8   91      3    3    4   38   58   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D     6_A     D     6_A      4    8   91      0    3    4    6    8    9   12   17   66   73   75   78   79   81   83   84   84   85   86   86 
LCS_GDT     N     7_A     N     7_A      4    8   91      0    3    4    6   24   26   43   50   66   72   75   78   79   81   83   84   84   85   86   86 
LCS_GDT     G     8_A     G     8_A      5   39   91      3    5    5    7   40   60   66   70   73   77   79   80   81   81   83   84   84   85   86   86 
LCS_GDT     G     9_A     G     9_A     12   39   91      3   11   33   49   59   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    10_A     G    10_A     13   39   91      3    5   30   50   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     E    11_A     E    11_A     13   39   91     15   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     R    12_A     R    12_A     13   39   91     15   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     R    13_A     R    13_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     K    14_A     K    14_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    15_A     G    15_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     S    16_A     S    16_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     V    17_A     V    17_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     K    18_A     K    18_A     20   39   91     16   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     W    19_A     W    19_A     20   39   91     13   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     F    20_A     F    20_A     20   39   91     12   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    21_A     D    21_A     20   39   91     16   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     T    22_A     T    22_A     20   39   91      8   17   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     Q    23_A     Q    23_A     20   39   91     10   28   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     K    24_A     K    24_A     20   39   91      8   15   35   51   59   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    25_A     G    25_A     20   39   91      8   14   24   50   59   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     F    26_A     F    26_A     20   39   91      8   21   39   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    27_A     G    27_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     F    28_A     F    28_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     I    29_A     I    29_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     T    30_A     T    30_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     P    31_A     P    31_A     20   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    32_A     D    32_A     20   39   91      5   28   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    33_A     D    33_A      7   39   91      3   10   19   35   57   63   66   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    34_A     G    34_A      3   39   91      3    3    6   12   24   50   65   70   73   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    35_A     G    35_A      9   39   91      4    7   11   26   49   60   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    36_A     D    36_A     11   39   91      4   16   42   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    37_A     D    37_A     11   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     L    38_A     L    38_A     11   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     F    39_A     F    39_A     11   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     V    40_A     V    40_A     11   39   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     H    41_A     H    41_A     11   39   91      5   25   40   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     Q    42_A     Q    42_A     11   39   91     16   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     S    43_A     S    43_A     11   39   91      9   29   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     S    44_A     S    44_A     11   39   91      6   24   40   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     I    45_A     I    45_A     11   39   91      6   31   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     R    46_A     R    46_A     11   39   91      6   21   41   52   60   64   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     S    47_A     S    47_A     11   39   91      3    9   25   44   55   63   68   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     E    48_A     E    48_A      5   31   91      3    4    8   13   28   38   53   65   69   76   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    49_A     G    49_A      5   36   91      3    7   12   31   49   60   66   69   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     F    50_A     F    50_A     16   36   91      5   15   30   50   57   63   68   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     R    51_A     R    51_A     16   36   91      5   21   41   52   61   64   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     S    52_A     S    52_A     17   36   91      6   26   42   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     L    53_A     L    53_A     17   36   91     13   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     A    54_A     A    54_A     17   36   91     13   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     A    55_A     A    55_A     17   36   91      4   27   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     E    56_A     E    56_A     17   36   91      4   21   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     E    57_A     E    57_A     17   36   91     13   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     A    58_A     A    58_A     17   36   91      9   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     V    59_A     V    59_A     17   36   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     E    60_A     E    60_A     17   36   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     F    61_A     F    61_A     17   36   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     E    62_A     E    62_A     17   36   91     15   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     V    63_A     V    63_A     17   36   91      5   22   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     E    64_A     E    64_A     17   36   91      4   29   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     I    65_A     I    65_A     17   36   91      7   29   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    66_A     D    66_A     17   36   91      4   21   33   50   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     N    67_A     N    67_A     17   36   91      9   31   42   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     N    68_A     N    68_A     17   36   91      4   32   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     N    69_A     N    69_A      5   36   91      3    3    7    8   41   61   68   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     R    70_A     R    70_A      6   36   91      5   32   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     P    71_A     P    71_A      8   36   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     K    72_A     K    72_A      8   36   91      5   23   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     A    73_A     A    73_A      8   36   91      5   15   38   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     I    74_A     I    74_A     10   36   91      5   11   27   48   60   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    75_A     D    75_A     10   36   91     15   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     V    76_A     V    76_A     10   36   91     19   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     S    77_A     S    77_A     10   36   91     18   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    78_A     G    78_A     10   36   91     13   33   44   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     P    79_A     P    79_A     10   36   91      3    3   32   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     D    80_A     D    80_A     10   36   91      4    8   41   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    81_A     G    81_A     10   36   91      4   15   42   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     A    82_A     A    82_A     10   36   91      4   17   40   52   61   65   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     P    83_A     P    83_A     10   36   91      4    8   21   46   57   63   69   73   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     V    84_A     V    84_A      5   36   91      3    5    7   11   19   31   58   69   76   78   80   81   82   82   83   84   84   85   86   86 
LCS_GDT     Q    85_A     Q    85_A      5   15   91      3    5    6   11   15   19   26   46   58   70   75   81   82   82   83   84   84   85   86   86 
LCS_GDT     G    86_A     G    86_A      5   15   91      3    5    7   12   18   23   28   44   59   68   71   81   82   82   83   83   84   85   86   86 
LCS_GDT     N    87_A     N    87_A      3    6   91      3    4    4    4    6    6   14   18   29   35   40   48   56   69   72   75   81   83   86   86 
LCS_GDT     S    88_A     S    88_A      3    6   91      3    4    4    6   13   16   20   25   29   35   37   45   56   69   70   75   81   81   84   85 
LCS_GDT     G    89_A     G    89_A      3    6   91      3    4    5    9   13   16   21   27   31   41   53   62   68   73   74   80   81   84   86   86 
LCS_GDT     G    90_A     G    90_A      3    6   91      3    4    4    9   13   16   18   24   26   29   33   52   57   62   72   75   81   81   83   85 
LCS_GDT     G    91_A     G    91_A      3    6   91      3    3    3    9   13   16   18   24   26   29   33   41   57   62   64   67   72   80   83   85 
LCS_GDT     S    92_A     S    92_A      3    6   86      3    3    3    7    8   13   18   22   24   27   31   35   39   41   45   64   68   74   74   77 
LCS_AVERAGE  LCS_A:  49.27  (  13.40   35.55   98.85 )

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     19     33     44     52     61     65     69     73     76     78     80     81     82     82     83     84     84     85     86     86 
GDT PERCENT_AT  20.65  35.87  47.83  56.52  66.30  70.65  75.00  79.35  82.61  84.78  86.96  88.04  89.13  89.13  90.22  91.30  91.30  92.39  93.48  93.48
GDT RMS_LOCAL    0.33   0.59   0.86   1.08   1.36   1.54   1.69   1.95   2.13   2.31   2.51   2.77   2.84   2.84   2.90   3.04   3.05   3.19   3.40   3.40
GDT RMS_ALL_AT   6.08   5.96   5.89   5.90   5.95   6.11   6.02   5.99   5.87   5.79   5.71   5.58   5.56   5.56   5.84   5.76   5.64   5.68   5.61   5.61

# Checking swapping
#   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:  D    36_A      D    36_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    64_A      E    64_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    12.519     0    0.234   0.234    14.952    0.000    0.000
LGA    H     2_A      H     2_A     7.009     0    0.127   1.102     8.361   16.905   22.476
LGA    M     3_A      M     3_A     4.901     0    0.116   1.263     9.769   35.714   21.429
LGA    S     4_A      S     4_A     2.218     0    0.433   0.459     4.577   69.286   56.667
LGA    G     5_A      G     5_A     3.156     0    0.669   0.669     5.743   38.214   38.214
LGA    D     6_A      D     6_A     8.184     0    0.631   0.993    11.144    6.310    3.333
LGA    N     7_A      N     7_A     8.930     0    0.678   1.200    10.595    3.095    2.619
LGA    G     8_A      G     8_A     5.930     0    0.652   0.652     6.733   19.524   19.524
LGA    G     9_A      G     9_A     3.349     0    0.352   0.352     3.349   59.405   59.405
LGA    G    10_A      G    10_A     2.422     0    0.160   0.160     3.430   61.190   61.190
LGA    E    11_A      E    11_A     0.540     0    0.069   0.958     6.688   90.595   63.704
LGA    R    12_A      R    12_A     0.691     0    0.055   1.308     8.785   90.476   59.524
LGA    R    13_A      R    13_A     0.393     0    0.033   1.309     5.338  100.000   75.714
LGA    K    14_A      K    14_A     0.160     0    0.044   0.944     4.626  100.000   78.995
LGA    G    15_A      G    15_A     0.357     0    0.068   0.068     0.357  100.000  100.000
LGA    S    16_A      S    16_A     0.280     0    0.119   0.545     1.690   97.619   92.302
LGA    V    17_A      V    17_A     0.206     0    0.061   0.139     0.431  100.000  100.000
LGA    K    18_A      K    18_A     0.650     0    0.057   0.916     2.937   92.857   83.862
LGA    W    19_A      W    19_A     1.026     0    0.085   0.631     3.358   88.214   71.190
LGA    F    20_A      F    20_A     1.383     0    0.125   0.232     2.007   79.286   76.017
LGA    D    21_A      D    21_A     0.887     0    0.049   0.916     4.936   88.214   72.500
LGA    T    22_A      T    22_A     1.696     0    0.128   1.163     4.282   75.119   64.626
LGA    Q    23_A      Q    23_A     1.537     0    0.024   1.094     5.388   69.524   58.148
LGA    K    24_A      K    24_A     3.223     0    0.041   1.015     4.258   50.476   46.561
LGA    G    25_A      G    25_A     3.153     0    0.049   0.049     3.285   53.571   53.571
LGA    F    26_A      F    26_A     2.084     0    0.054   0.169     2.802   73.095   63.636
LGA    G    27_A      G    27_A     0.261     0    0.052   0.052     0.882   95.238   95.238
LGA    F    28_A      F    28_A     0.337     0    0.033   0.172     0.511  100.000   99.134
LGA    I    29_A      I    29_A     0.331     0    0.089   0.090     0.649  100.000   98.810
LGA    T    30_A      T    30_A     0.518     0    0.036   1.025     2.139   97.619   88.367
LGA    P    31_A      P    31_A     0.518     0    0.128   0.267     1.355   88.214   87.959
LGA    D    32_A      D    32_A     1.875     0    0.611   0.639     3.593   67.262   61.429
LGA    D    33_A      D    33_A     4.651     0    0.479   1.089     7.769   34.405   26.190
LGA    G    34_A      G    34_A     5.815     0    0.628   0.628     5.815   26.429   26.429
LGA    G    35_A      G    35_A     4.070     0    0.534   0.534     4.202   49.048   49.048
LGA    D    36_A      D    36_A     1.564     0    0.086   1.446     6.846   69.048   50.536
LGA    D    37_A      D    37_A     0.626     0    0.041   1.167     5.917   90.595   69.821
LGA    L    38_A      L    38_A     0.454     0    0.045   0.896     3.517   97.619   81.964
LGA    F    39_A      F    39_A     0.782     0    0.063   0.465     1.684   90.476   88.095
LGA    V    40_A      V    40_A     0.912     0    0.027   0.088     1.421   85.952   86.599
LGA    H    41_A      H    41_A     2.054     0    0.113   0.404     5.982   77.381   50.762
LGA    Q    42_A      Q    42_A     0.781     0    0.047   0.865     2.047   88.214   83.651
LGA    S    43_A      S    43_A     1.367     0    0.117   0.105     3.067   73.690   74.841
LGA    S    44_A      S    44_A     1.803     0    0.075   0.094     2.230   72.976   71.587
LGA    I    45_A      I    45_A     1.401     0    0.082   1.263     3.512   71.190   66.429
LGA    R    46_A      R    46_A     2.913     0    0.576   1.418     7.849   47.857   46.147
LGA    S    47_A      S    47_A     4.374     0    0.146   0.673     5.328   36.190   39.683
LGA    E    48_A      E    48_A     7.698     0    0.169   1.048    15.115   11.786    5.291
LGA    G    49_A      G    49_A     6.441     0    0.215   0.215     6.737   26.310   26.310
LGA    F    50_A      F    50_A     4.437     0    0.135   0.233     6.583   32.976   24.632
LGA    R    51_A      R    51_A     2.773     0    0.071   1.028     5.000   59.167   55.325
LGA    S    52_A      S    52_A     2.122     0    0.082   0.108     3.228   68.810   63.730
LGA    L    53_A      L    53_A     1.347     0    0.051   0.181     1.746   77.143   80.417
LGA    A    54_A      A    54_A     1.084     0    0.071   0.078     1.100   83.690   83.238
LGA    A    55_A      A    55_A     1.666     0    0.630   0.611     3.467   69.286   68.381
LGA    E    56_A      E    56_A     1.909     0    0.042   0.983     2.756   77.143   71.217
LGA    E    57_A      E    57_A     0.668     0    0.063   0.933     4.039   90.476   73.651
LGA    A    58_A      A    58_A     0.779     0    0.036   0.059     1.120   95.238   92.476
LGA    V    59_A      V    59_A     0.272     0    0.034   0.190     0.737  100.000   98.639
LGA    E    60_A      E    60_A     0.281     0    0.062   0.586     2.597  100.000   85.291
LGA    F    61_A      F    61_A     0.312     0    0.045   0.135     0.530  100.000   98.268
LGA    E    62_A      E    62_A     0.803     0    0.039   0.893     3.209   85.952   77.196
LGA    V    63_A      V    63_A     1.679     0    0.178   1.283     3.636   77.143   67.823
LGA    E    64_A      E    64_A     1.396     0    0.115   0.618     2.209   81.429   79.735
LGA    I    65_A      I    65_A     1.479     0    0.075   1.509     3.586   71.190   67.440
LGA    D    66_A      D    66_A     2.704     0    0.076   1.043     3.551   69.048   61.429
LGA    N    67_A      N    67_A     2.097     0    0.508   1.399     6.601   75.357   51.012
LGA    N    68_A      N    68_A     1.077     0    0.693   1.322     6.229   79.286   59.464
LGA    N    69_A      N    69_A     4.258     0    0.273   0.370     9.748   52.262   29.524
LGA    R    70_A      R    70_A     1.317     0    0.270   1.378     6.059   83.810   50.693
LGA    P    71_A      P    71_A     0.662     0    0.060   0.268     1.559   90.476   85.374
LGA    K    72_A      K    72_A     1.468     0    0.048   0.725     3.541   77.143   69.894
LGA    A    73_A      A    73_A     2.040     0    0.037   0.047     3.083   63.095   61.905
LGA    I    74_A      I    74_A     2.792     0    0.567   1.096     4.459   54.048   50.595
LGA    D    75_A      D    75_A     1.039     0    0.482   1.076     3.909   77.262   67.619
LGA    V    76_A      V    76_A     0.560     0    0.065   0.073     0.713   90.476   90.476
LGA    S    77_A      S    77_A     0.567     0    0.038   0.164     0.635   92.857   92.063
LGA    G    78_A      G    78_A     0.876     0    0.118   0.118     1.336   85.952   85.952
LGA    P    79_A      P    79_A     2.659     0    0.676   0.603     5.655   50.357   62.789
LGA    D    80_A      D    80_A     2.894     0    0.128   0.930     6.183   52.262   42.619
LGA    G    81_A      G    81_A     2.837     0    0.032   0.032     3.274   55.357   55.357
LGA    A    82_A      A    82_A     2.545     0    0.168   0.208     2.545   67.024   66.571
LGA    P    83_A      P    83_A     3.740     0    0.070   0.437     5.336   38.810   34.150
LGA    V    84_A      V    84_A     5.443     0    0.032   1.111     6.873   22.500   24.082
LGA    Q    85_A      Q    85_A     9.643     0    0.095   1.005    14.014    1.310    0.582
LGA    G    86_A      G    86_A    10.173     0    0.710   0.710    12.742    0.119    0.119
LGA    N    87_A      N    87_A    15.080     0    0.043   1.107    17.699    0.000    0.000
LGA    S    88_A      S    88_A    16.928     0    0.539   0.896    17.424    0.000    0.000
LGA    G    89_A      G    89_A    16.204     0    0.342   0.342    17.399    0.000    0.000
LGA    G    90_A      G    90_A    20.083     0    0.502   0.502    22.093    0.000    0.000
LGA    G    91_A      G    91_A    22.472     0    0.680   0.680    22.598    0.000    0.000
LGA    S    92_A      S    92_A    23.447     0    0.142   0.150    27.873    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):     5.178          5.178                  5.210           63.094   57.057

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     73    1.95    65.761    61.715     3.558

LGA_LOCAL      RMSD:   1.952  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.993  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.178  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.101809 * X  +   0.534109 * Y  +   0.839263 * Z  + -35.590946
  Y_new =  -0.990815 * X  +   0.129917 * Y  +   0.037514 * Z  + -20.394470
  Z_new =  -0.088998 * X  +  -0.835374 * Y  +   0.542430 * Z  +  26.296585 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.468403  0.089116 -0.994895   [DEG:  -84.1333    5.1060  -57.0033 ]
ZXZ:  1.615465  0.997469 -3.035456   [DEG:   92.5593   57.1508 -173.9188 ]
 
# END of job
