
#######################################################
#                                                     #
#                        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        4.85     6.43
  LCS_AVERAGE:     95.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      10_A - 83_A        1.98     6.79
  LCS_AVERAGE:     68.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      12_A - 32_A        0.99     7.49
  LCS_AVERAGE:     15.47

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    3   88      0    3    3    3    3    5    5    7    8   22   25   29   32   45   78   82   83   83   84   84 
LCS_GDT     H     2_A     H     2_A      5    6   88      3    4    5    5    5    6    6    7   19   22   27   29   50   76   78   82   83   83   84   84 
LCS_GDT     M     3_A     M     3_A      5    6   88      3    4    5    5    6    7   45   56   63   69   75   78   81   81   81   82   84   84   84   84 
LCS_GDT     S     4_A     S     4_A      5    6   88      3    4    5    5    5    6   16   46   60   68   75   77   81   81   81   82   84   84   84   84 
LCS_GDT     G     5_A     G     5_A      5    6   88      3    4    5    5    8    9   13   14   35   71   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D     6_A     D     6_A      5    6   88      3    4    5    5    8   14   20   58   67   72   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     N     7_A     N     7_A      3   39   88      3    3    4    5    9   14   48   58   67   72   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G     8_A     G     8_A      4   40   88      3    4    5   33   44   61   66   70   73   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G     9_A     G     9_A     12   72   88      4    8   17   33   57   64   68   71   73   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    10_A     G    10_A     13   74   88      4    8   39   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     E    11_A     E    11_A     13   74   88     16   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     R    12_A     R    12_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     R    13_A     R    13_A     21   74   88     14   37   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     K    14_A     K    14_A     21   74   88     16   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    15_A     G    15_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     S    16_A     S    16_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     V    17_A     V    17_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     K    18_A     K    18_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     W    19_A     W    19_A     21   74   88     15   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     F    20_A     F    20_A     21   74   88     11   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    21_A     D    21_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     T    22_A     T    22_A     21   74   88      7   28   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     Q    23_A     Q    23_A     21   74   88     10   26   45   56   62   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     K    24_A     K    24_A     21   74   88      5   10   39   55   60   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    25_A     G    25_A     21   74   88      5   14   34   55   60   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     F    26_A     F    26_A     21   74   88      5   23   45   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    27_A     G    27_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     F    28_A     F    28_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     I    29_A     I    29_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     T    30_A     T    30_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     P    31_A     P    31_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    32_A     D    32_A     21   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    33_A     D    33_A     19   74   88      5   11   31   56   60   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    34_A     G    34_A     19   74   88     14   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    35_A     G    35_A     19   74   88     17   38   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    36_A     D    36_A     19   74   88     14   37   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    37_A     D    37_A     19   74   88     14   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     L    38_A     L    38_A     19   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     F    39_A     F    39_A     19   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     V    40_A     V    40_A     19   74   88     13   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     H    41_A     H    41_A     19   74   88      8   26   42   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     Q    42_A     Q    42_A     19   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     S    43_A     S    43_A     19   74   88     11   37   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     S    44_A     S    44_A     19   74   88      5   31   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     I    45_A     I    45_A     19   74   88     11   37   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     R    46_A     R    46_A     13   74   88      5   22   44   55   62   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     S    47_A     S    47_A      8   74   88      3   14   31   49   58   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     E    48_A     E    48_A      6   74   88      4    5    7   10   29   42   53   68   72   74   76   76   77   80   81   82   84   84   84   84 
LCS_GDT     G    49_A     G    49_A      6   74   88      4    8   26   45   58   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     F    50_A     F    50_A     18   74   88      5   18   33   53   62   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     R    51_A     R    51_A     18   74   88      7   26   49   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     S    52_A     S    52_A     18   74   88      7   32   49   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     L    53_A     L    53_A     18   74   88     11   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     A    54_A     A    54_A     18   74   88     12   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     A    55_A     A    55_A     18   74   88      8   32   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     E    56_A     E    56_A     18   74   88      3   22   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     E    57_A     E    57_A     18   74   88     16   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     A    58_A     A    58_A     18   74   88     14   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     V    59_A     V    59_A     18   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     E    60_A     E    60_A     18   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     F    61_A     F    61_A     18   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     E    62_A     E    62_A     18   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     V    63_A     V    63_A     18   74   88      5   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     E    64_A     E    64_A     18   74   88      5   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     I    65_A     I    65_A     18   74   88      5   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    66_A     D    66_A     18   74   88      8   25   46   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     N    67_A     N    67_A     18   74   88      5   18   35   54   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     N    68_A     N    68_A     17   74   88      4   12   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     N    69_A     N    69_A      7   74   88      4    5    8   12   21   64   68   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     R    70_A     R    70_A      4   74   88      3    4   12   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     P    71_A     P    71_A     10   74   88     11   37   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     K    72_A     K    72_A     10   74   88     10   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     A    73_A     A    73_A     10   74   88     10   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     I    74_A     I    74_A     10   74   88      5   26   48   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    75_A     D    75_A     10   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     V    76_A     V    76_A     10   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     S    77_A     S    77_A     10   74   88     21   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    78_A     G    78_A     10   74   88     15   39   49   56   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     P    79_A     P    79_A     10   74   88      3    8   41   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     D    80_A     D    80_A     10   74   88      4   13   41   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     G    81_A     G    81_A     10   74   88      4   16   41   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     A    82_A     A    82_A     10   74   88      4   19   41   55   63   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     P    83_A     P    83_A     10   74   88      4    9   27   53   62   65   69   73   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     V    84_A     V    84_A      5   36   88      3    6    9   11   15   31   64   71   74   76   76   79   81   81   81   82   84   84   84   84 
LCS_GDT     Q    85_A     Q    85_A      5   15   88      3    5    7   10   15   19   27   31   35   56   69   74   77   78   81   82   84   84   84   84 
LCS_GDT     G    86_A     G    86_A      5   15   88      3    5    9   11   18   23   28   39   56   67   72   74   77   78   81   82   84   84   84   84 
LCS_GDT     N    87_A     N    87_A      3    5   88      3    3    3    4    6    6   10   23   26   30   37   41   49   56   66   74   75   78   81   82 
LCS_GDT     S    88_A     S    88_A      3    5   88      3    3    3    4    6    6    8   12   14   21   28   32   36   39   46   48   56   67   71   75 
LCS_GDT     G    89_A     G    89_A      3    5   87      3    3    3    4    6    6    8   13   18   26   29   33   36   42   47   56   60   68   72   75 
LCS_GDT     G    90_A     G    90_A      3    5   86      0    3    3    4    6    6   10   13   20   27   29   30   35   41   47   56   60   68   72   75 
LCS_GDT     G    91_A     G    91_A      3    5   84      0    3    3    3    5    7   15   20   26   29   37   39   49   53   62   69   71   73   77   79 
LCS_GDT     S    92_A     S    92_A      3    5   41      0    3    3    4    6    6   10   13   20   22   25   27   29   40   43   58   68   70   73   75 
LCS_AVERAGE  LCS_A:  59.50  (  15.47   68.01   95.01 )

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     39     49     56     63     65     69     73     74     76     76     79     81     81     81     82     84     84     84     84 
GDT PERCENT_AT  22.83  42.39  53.26  60.87  68.48  70.65  75.00  79.35  80.43  82.61  82.61  85.87  88.04  88.04  88.04  89.13  91.30  91.30  91.30  91.30
GDT RMS_LOCAL    0.33   0.61   0.86   1.09   1.31   1.38   1.59   1.83   1.91   2.08   2.08   2.64   3.04   3.04   3.04   3.08   3.45   3.45   3.45   3.45
GDT RMS_ALL_AT   6.85   6.81   6.82   6.93   6.81   6.83   6.80   6.79   6.77   6.77   6.77   6.70   6.69   6.69   6.69   6.60   6.57   6.57   6.57   6.57

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   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:  D    36_A      D    36_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    62_A      E    62_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    19.717     0    0.148   0.148    19.717    0.000    0.000
LGA    H     2_A      H     2_A    18.794     0    0.576   1.339    24.806    0.000    0.000
LGA    M     3_A      M     3_A    12.771     0    0.043   0.986    14.719    0.000    0.179
LGA    S     4_A      S     4_A    12.971     0    0.531   0.791    13.594    0.000    0.000
LGA    G     5_A      G     5_A     9.850     0    0.077   0.077    10.283    0.357    0.357
LGA    D     6_A      D     6_A     9.347     0    0.377   1.162     9.722    0.952    3.333
LGA    N     7_A      N     7_A     9.614     0    0.663   0.570    11.890    1.548    0.774
LGA    G     8_A      G     8_A     6.464     0    0.501   0.501     6.534   20.714   20.714
LGA    G     9_A      G     9_A     4.842     0    0.382   0.382     4.842   37.381   37.381
LGA    G    10_A      G    10_A     2.540     0    0.161   0.161     3.743   53.810   53.810
LGA    E    11_A      E    11_A     1.041     0    0.059   0.592     3.191   88.333   73.757
LGA    R    12_A      R    12_A     0.507     0    0.039   1.485     7.400   90.476   68.052
LGA    R    13_A      R    13_A     0.931     0    0.023   0.241     4.029   92.857   67.273
LGA    K    14_A      K    14_A     0.363     0    0.017   0.910     2.962   95.238   85.026
LGA    G    15_A      G    15_A     0.230     0    0.060   0.060     0.314  100.000  100.000
LGA    S    16_A      S    16_A     0.355     0    0.080   0.558     2.092   95.238   89.365
LGA    V    17_A      V    17_A     0.389     0    0.061   0.133     0.707   97.619   97.279
LGA    K    18_A      K    18_A     0.317     0    0.046   1.092     3.297  100.000   87.407
LGA    W    19_A      W    19_A     0.748     0    0.068   0.603     3.090   95.238   77.279
LGA    F    20_A      F    20_A     1.043     0    0.116   0.280     1.465   81.429   83.074
LGA    D    21_A      D    21_A     0.675     0    0.050   0.323     3.423   90.595   78.929
LGA    T    22_A      T    22_A     1.710     0    0.167   1.184     3.811   73.333   64.490
LGA    Q    23_A      Q    23_A     2.817     0    0.025   1.127     5.781   54.286   50.370
LGA    K    24_A      K    24_A     3.706     0    0.017   0.939     6.573   43.452   33.069
LGA    G    25_A      G    25_A     3.422     0    0.034   0.034     3.422   50.000   50.000
LGA    F    26_A      F    26_A     2.207     0    0.051   0.231     2.682   73.095   62.944
LGA    G    27_A      G    27_A     0.355     0    0.075   0.075     0.918   95.238   95.238
LGA    F    28_A      F    28_A     0.464     0    0.035   0.115     1.089  100.000   93.983
LGA    I    29_A      I    29_A     0.388     0    0.058   0.074     0.630  100.000   98.810
LGA    T    30_A      T    30_A     0.460     0    0.080   0.118     0.865  100.000   95.918
LGA    P    31_A      P    31_A     0.738     0    0.104   0.428     0.935   90.476   91.837
LGA    D    32_A      D    32_A     0.591     0    0.075   0.881     2.107   83.810   81.786
LGA    D    33_A      D    33_A     3.415     0    0.071   1.210     8.764   53.810   32.679
LGA    G    34_A      G    34_A     1.188     0    0.546   0.546     3.281   71.429   71.429
LGA    G    35_A      G    35_A     1.099     0    0.238   0.238     1.406   85.952   85.952
LGA    D    36_A      D    36_A     1.184     0    0.046   0.535     2.107   83.690   80.476
LGA    D    37_A      D    37_A     0.797     0    0.054   0.538     2.234   90.476   87.262
LGA    L    38_A      L    38_A     0.810     0    0.039   1.202     3.373   90.476   83.214
LGA    F    39_A      F    39_A     0.837     0    0.051   0.364     1.484   90.476   90.563
LGA    V    40_A      V    40_A     1.148     0    0.025   0.086     1.761   77.143   80.272
LGA    H    41_A      H    41_A     2.360     0    0.103   0.386     6.199   77.381   48.810
LGA    Q    42_A      Q    42_A     0.926     0    0.043   1.193     2.498   92.976   81.905
LGA    S    43_A      S    43_A     0.996     0    0.133   0.118     2.528   77.738   78.968
LGA    S    44_A      S    44_A     1.487     0    0.093   0.094     2.015   79.286   75.794
LGA    I    45_A      I    45_A     0.913     0    0.095   0.701     2.239   79.643   82.857
LGA    R    46_A      R    46_A     2.195     0    0.563   1.129     6.777   56.905   53.117
LGA    S    47_A      S    47_A     3.655     0    0.165   0.683     4.622   42.262   47.302
LGA    E    48_A      E    48_A     6.880     0    0.680   1.134    14.121   12.143    5.714
LGA    G    49_A      G    49_A     4.698     0    0.273   0.273     4.862   42.500   42.500
LGA    F    50_A      F    50_A     3.383     0    0.098   0.253     6.099   46.667   33.377
LGA    R    51_A      R    51_A     1.874     0    0.060   0.743     2.259   70.833   74.459
LGA    S    52_A      S    52_A     1.477     0    0.072   0.131     2.282   79.286   75.794
LGA    L    53_A      L    53_A     0.815     0    0.046   0.177     1.141   85.952   88.214
LGA    A    54_A      A    54_A     0.547     0    0.076   0.080     0.578   95.238   94.286
LGA    A    55_A      A    55_A     1.212     0    0.626   0.607     3.335   75.833   75.238
LGA    E    56_A      E    56_A     1.732     0    0.026   0.961     6.424   77.143   58.466
LGA    E    57_A      E    57_A     0.802     0    0.055   0.977     4.551   88.214   73.175
LGA    A    58_A      A    58_A     0.893     0    0.052   0.088     1.209   90.476   88.667
LGA    V    59_A      V    59_A     0.619     0    0.041   0.173     0.972   90.476   91.837
LGA    E    60_A      E    60_A     0.663     0    0.051   0.864     3.159   90.476   83.122
LGA    F    61_A      F    61_A     0.690     0    0.022   0.099     0.785   90.476   90.476
LGA    E    62_A      E    62_A     0.716     0    0.034   0.967     3.466   90.476   81.058
LGA    V    63_A      V    63_A     0.990     0    0.112   0.943     2.217   90.476   82.993
LGA    E    64_A      E    64_A     1.239     0    0.034   0.186     2.610   81.429   74.021
LGA    I    65_A      I    65_A     1.358     0    0.048   0.653     2.062   77.143   77.202
LGA    D    66_A      D    66_A     2.156     0    0.040   1.051     4.435   66.786   61.429
LGA    N    67_A      N    67_A     3.432     0    0.146   1.022     7.205   51.905   39.048
LGA    N    68_A      N    68_A     1.630     0    0.235   0.750     4.312   67.143   62.560
LGA    N    69_A      N    69_A     4.036     0    0.678   1.116    10.060   50.357   27.857
LGA    R    70_A      R    70_A     2.697     0    0.118   1.449     7.533   62.976   35.584
LGA    P    71_A      P    71_A     1.152     0    0.059   0.290     2.671   79.286   71.973
LGA    K    72_A      K    72_A     1.051     0    0.074   0.799     3.762   85.952   73.810
LGA    A    73_A      A    73_A     1.068     0    0.098   0.105     2.227   77.381   78.190
LGA    I    74_A      I    74_A     1.799     0    0.090   1.280     3.662   79.286   68.393
LGA    D    75_A      D    75_A     1.032     0    0.152   0.716     1.708   81.429   83.810
LGA    V    76_A      V    76_A     0.967     0    0.038   0.929     3.044   90.476   82.109
LGA    S    77_A      S    77_A     0.759     0    0.040   0.173     0.853   90.476   92.063
LGA    G    78_A      G    78_A     0.881     0    0.116   0.116     1.321   85.952   85.952
LGA    P    79_A      P    79_A     2.629     0    0.679   0.604     5.431   51.548   60.884
LGA    D    80_A      D    80_A     2.869     0    0.122   1.127     6.307   53.810   43.393
LGA    G    81_A      G    81_A     2.633     0    0.045   0.045     2.905   60.952   60.952
LGA    A    82_A      A    82_A     2.173     0    0.171   0.216     2.173   72.976   71.333
LGA    P    83_A      P    83_A     3.262     0    0.065   0.426     4.805   45.119   40.952
LGA    V    84_A      V    84_A     5.151     0    0.028   1.132     6.376   25.952   26.803
LGA    Q    85_A      Q    85_A     9.262     0    0.109   0.754    13.921    2.262    1.005
LGA    G    86_A      G    86_A     9.487     0    0.699   0.699    12.207    0.714    0.714
LGA    N    87_A      N    87_A    14.748     0    0.571   0.639    16.284    0.000    0.000
LGA    S    88_A      S    88_A    19.888     0    0.651   0.792    23.117    0.000    0.000
LGA    G    89_A      G    89_A    21.810     0    0.341   0.341    21.927    0.000    0.000
LGA    G    90_A      G    90_A    21.986     0    0.485   0.485    21.986    0.000    0.000
LGA    G    91_A      G    91_A    19.105     0    0.697   0.697    21.012    0.000    0.000
LGA    S    92_A      S    92_A    19.933     0    0.535   0.477    21.448    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):     6.180          6.207                  6.173           63.186   58.505

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     73    1.83    67.935    70.582     3.784

LGA_LOCAL      RMSD:   1.829  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.792  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.180  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.630319 * X  +  -0.738942 * Y  +   0.238042 * Z  +  -4.198393
  Y_new =   0.396671 * X  +   0.570124 * Y  +   0.719452 * Z  + -59.895866
  Z_new =  -0.667346 * X  +  -0.359060 * Y  +   0.652476 * Z  + -10.456979 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.561698  0.730640 -0.503076   [DEG:   32.1830   41.8626  -28.8241 ]
ZXZ:  2.822065  0.859949 -2.064412   [DEG:  161.6924   49.2714 -118.2821 ]
 
# END of job
