
#######################################################
#                                                     #
#                        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:    90       3_A - 92_A        4.86     5.88
  LCS_AVERAGE:     97.79

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       6_A - 82_A        1.98     6.32
  LONGEST_CONTINUOUS_SEGMENT:    77       7_A - 83_A        1.99     6.29
  LONGEST_CONTINUOUS_SEGMENT:    77       8_A - 84_A        1.94     6.24
  LCS_AVERAGE:     74.28

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        0.92     6.60
  LCS_AVERAGE:     18.84

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    7   88      3    5    5    5    6    7    8   10   11   13   14   16   19   24   26   27   31   56   60   67 
LCS_GDT     H     2_A     H     2_A      4    7   89      3    5    5    5    6    7    8   10   11   13   19   32   37   51   56   60   71   77   81   83 
LCS_GDT     M     3_A     M     3_A      4    7   90      3    5    5    5    6    7   12   16   22   34   48   53   68   75   78   82   82   82   82   84 
LCS_GDT     S     4_A     S     4_A      4    7   90      3    5    5    5    6   32   47   65   73   76   78   81   81   81   82   83   83   83   83   84 
LCS_GDT     G     5_A     G     5_A      3   76   90      3   14   30   46   60   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D     6_A     D     6_A      3   77   90      3    5    5    5    6   67   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     N     7_A     N     7_A      3   77   90      3    3   24   43   54   58   66   74   78   80   80   81   81   81   82   83   83   83   83   84 
LCS_GDT     G     8_A     G     8_A      4   77   90      3   28   44   51   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G     9_A     G     9_A      9   77   90      3    7   19   41   57   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    10_A     G    10_A     24   77   90      3   11   29   46   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     E    11_A     E    11_A     24   77   90      3   19   34   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     R    12_A     R    12_A     24   77   90      6   25   48   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     R    13_A     R    13_A     24   77   90     14   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     K    14_A     K    14_A     24   77   90     11   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    15_A     G    15_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     S    16_A     S    16_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     V    17_A     V    17_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     K    18_A     K    18_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     W    19_A     W    19_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     F    20_A     F    20_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    21_A     D    21_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     T    22_A     T    22_A     24   77   90      6   18   38   57   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     Q    23_A     Q    23_A     24   77   90      7   27   44   55   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     K    24_A     K    24_A     24   77   90      6    8   31   50   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    25_A     G    25_A     24   77   90      6   15   31   50   62   68   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     F    26_A     F    26_A     24   77   90      8   22   44   57   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    27_A     G    27_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     F    28_A     F    28_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     I    29_A     I    29_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     T    30_A     T    30_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     P    31_A     P    31_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    32_A     D    32_A     24   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    33_A     D    33_A     24   77   90     12   31   48   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    34_A     G    34_A     17   77   90      4    5    5   34   56   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    35_A     G    35_A     17   77   90     15   36   48   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    36_A     D    36_A     17   77   90     12   32   47   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    37_A     D    37_A     17   77   90     12   34   48   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     L    38_A     L    38_A     17   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     F    39_A     F    39_A     17   77   90     17   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     V    40_A     V    40_A     17   77   90     12   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     H    41_A     H    41_A     17   77   90      4   23   44   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     Q    42_A     Q    42_A     17   77   90     13   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     S    43_A     S    43_A     17   77   90     15   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     S    44_A     S    44_A     13   77   90      5   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     I    45_A     I    45_A     13   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     R    46_A     R    46_A     13   77   90      5   34   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     S    47_A     S    47_A     13   77   90      4   30   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     E    48_A     E    48_A     12   77   90      3    7    9   35   54   68   72   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    49_A     G    49_A     17   77   90      6   21   42   57   63   68   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     F    50_A     F    50_A     17   77   90      4   18   44   57   63   68   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     R    51_A     R    51_A     17   77   90      7   33   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     S    52_A     S    52_A     17   77   90     12   32   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     L    53_A     L    53_A     17   77   90     14   35   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     A    54_A     A    54_A     17   77   90     12   33   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     A    55_A     A    55_A     17   77   90      7   22   47   57   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     E    56_A     E    56_A     23   77   90      5   23   49   57   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     E    57_A     E    57_A     23   77   90     16   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     A    58_A     A    58_A     23   77   90      7   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     V    59_A     V    59_A     23   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     E    60_A     E    60_A     23   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     F    61_A     F    61_A     23   77   90     17   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     E    62_A     E    62_A     23   77   90     18   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     V    63_A     V    63_A     23   77   90     11   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     E    64_A     E    64_A     23   77   90     11   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     I    65_A     I    65_A     23   77   90      6   30   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    66_A     D    66_A     23   77   90      6   24   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     N    67_A     N    67_A     23   77   90      5   24   48   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     N    68_A     N    68_A     23   77   90      5   22   45   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     N    69_A     N    69_A     23   77   90      6   24   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     R    70_A     R    70_A     23   77   90      5   25   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     P    71_A     P    71_A     23   77   90     13   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     K    72_A     K    72_A     23   77   90     11   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     A    73_A     A    73_A     23   77   90     17   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     I    74_A     I    74_A     23   77   90     11   35   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    75_A     D    75_A     23   77   90     11   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     V    76_A     V    76_A     23   77   90     17   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     S    77_A     S    77_A     23   77   90     11   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    78_A     G    78_A     23   77   90     11   37   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     P    79_A     P    79_A     23   77   90      3   11   35   56   62   68   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     D    80_A     D    80_A     12   77   90      4   13   35   56   61   68   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     G    81_A     G    81_A     11   77   90      4    8   25   55   61   68   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     A    82_A     A    82_A      9   77   90      4   11   49   58   63   69   73   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     P    83_A     P    83_A      8   77   90      4   11   28   50   63   68   72   77   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     V    84_A     V    84_A      6   77   90      3    7    9   17   44   60   69   75   79   80   80   81   81   81   82   83   83   84   85   85 
LCS_GDT     Q    85_A     Q    85_A      6   49   90      3    7    9   11   18   26   28   32   40   62   72   78   80   81   82   83   83   84   85   85 
LCS_GDT     G    86_A     G    86_A      6   15   90      3    7   10   13   19   26   30   37   54   65   72   73   80   81   81   83   83   84   85   85 
LCS_GDT     N    87_A     N    87_A      3    6   90      3    3    5    5    7   10   13   26   29   33   39   47   53   68   78   80   82   84   85   85 
LCS_GDT     S    88_A     S    88_A      3    6   90      3    3    5    6   11   19   22   28   29   34   39   47   53   68   78   80   82   82   85   85 
LCS_GDT     G    89_A     G    89_A      3    6   90      3    3    5    5    9   13   22   26   29   33   39   45   49   55   67   71   82   82   83   83 
LCS_GDT     G    90_A     G    90_A      3    6   90      3    3    4    5    6   12   22   26   29   33   39   45   51   59   69   80   82   82   83   83 
LCS_GDT     G    91_A     G    91_A      3    6   90      3    3    5   12   18   26   29   33   42   50   62   69   75   78   80   81   82   84   85   85 
LCS_GDT     S    92_A     S    92_A      3    6   90      3    3    3    5    5    6   16   24   34   39   55   62   69   73   78   80   82   84   85   85 
LCS_AVERAGE  LCS_A:  63.64  (  18.84   74.28   97.79 )

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     18     37     49     58     63     69     73     77     79     80     80     81     81     81     82     83     83     84     85     85 
GDT PERCENT_AT  19.57  40.22  53.26  63.04  68.48  75.00  79.35  83.70  85.87  86.96  86.96  88.04  88.04  88.04  89.13  90.22  90.22  91.30  92.39  92.39
GDT RMS_LOCAL    0.32   0.63   0.94   1.15   1.31   1.63   1.71   1.90   2.02   2.12   2.12   2.33   2.33   2.33   2.53   2.73   2.73   3.56   3.81   3.81
GDT RMS_ALL_AT   6.47   6.44   6.36   6.23   6.24   6.26   6.34   6.26   6.21   6.24   6.24   6.22   6.22   6.22   6.16   6.11   6.11   6.01   6.03   6.03

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    61_A      F    61_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    24.730     0    0.270   0.270    25.719    0.000    0.000
LGA    H     2_A      H     2_A    19.863     0    0.226   1.161    21.481    0.000    0.000
LGA    M     3_A      M     3_A    15.360     0    0.088   1.246    17.585    0.000    0.000
LGA    S     4_A      S     4_A     9.702     0    0.261   0.257    11.820    7.976    5.556
LGA    G     5_A      G     5_A     4.655     0    0.542   0.542     6.774   37.976   37.976
LGA    D     6_A      D     6_A     3.428     0    0.426   1.061     5.924   48.333   36.071
LGA    N     7_A      N     7_A     6.355     0    0.316   1.332    11.818   19.286   10.417
LGA    G     8_A      G     8_A     3.429     0    0.174   0.174     3.854   51.905   51.905
LGA    G     9_A      G     9_A     4.088     0    0.521   0.521     5.934   36.429   36.429
LGA    G    10_A      G    10_A     2.629     0    0.365   0.365     2.629   60.952   60.952
LGA    E    11_A      E    11_A     2.073     0    0.118   0.114     3.642   73.095   62.751
LGA    R    12_A      R    12_A     1.331     0    0.106   1.447     6.534   77.262   57.662
LGA    R    13_A      R    13_A     0.471     0    0.092   1.483     4.792   97.619   77.316
LGA    K    14_A      K    14_A     0.547     0    0.071   0.799     2.424   92.857   85.820
LGA    G    15_A      G    15_A     0.190     0    0.081   0.081     0.623   97.619   97.619
LGA    S    16_A      S    16_A     0.212     0    0.021   0.687     2.419  100.000   94.127
LGA    V    17_A      V    17_A     0.260     0    0.099   0.174     0.909   97.619   97.279
LGA    K    18_A      K    18_A     0.787     0    0.018   0.807     2.957   90.476   80.952
LGA    W    19_A      W    19_A     0.596     0    0.015   0.598     2.538   90.476   81.769
LGA    F    20_A      F    20_A     0.509     0    0.074   0.098     0.930   90.476   92.208
LGA    D    21_A      D    21_A     0.497     0    0.064   0.311     1.783   88.571   86.190
LGA    T    22_A      T    22_A     2.448     0    0.058   1.215     4.695   61.190   52.925
LGA    Q    23_A      Q    23_A     2.745     0    0.051   1.385     4.085   53.810   56.878
LGA    K    24_A      K    24_A     3.346     0    0.070   0.161     4.995   48.452   45.873
LGA    G    25_A      G    25_A     3.505     0    0.089   0.089     3.505   48.333   48.333
LGA    F    26_A      F    26_A     2.000     0    0.007   0.132     2.499   75.119   69.264
LGA    G    27_A      G    27_A     0.497     0    0.070   0.070     0.923   97.619   97.619
LGA    F    28_A      F    28_A     0.509     0    0.047   0.098     1.533   97.619   88.182
LGA    I    29_A      I    29_A     0.254     0    0.019   0.084     0.583  100.000   98.810
LGA    T    30_A      T    30_A     0.319     0    0.048   0.119     0.610  100.000   98.639
LGA    P    31_A      P    31_A     0.491     0    0.054   0.071     0.714   97.619   94.558
LGA    D    32_A      D    32_A     0.426     0    0.041   0.140     0.819   95.238   96.429
LGA    D    33_A      D    33_A     1.832     0    0.135   0.890     5.699   63.690   50.952
LGA    G    34_A      G    34_A     4.302     0    0.342   0.342     4.302   52.262   52.262
LGA    G    35_A      G    35_A     1.233     0    0.418   0.418     2.671   75.357   75.357
LGA    D    36_A      D    36_A     1.835     0    0.038   0.163     2.688   72.857   67.857
LGA    D    37_A      D    37_A     1.449     0    0.073   0.438     2.969   79.286   77.381
LGA    L    38_A      L    38_A     0.888     0    0.057   1.320     2.867   88.214   80.833
LGA    F    39_A      F    39_A     0.876     0    0.059   0.404     2.257   88.214   81.645
LGA    V    40_A      V    40_A     0.902     0    0.015   0.099     1.490   85.952   87.891
LGA    H    41_A      H    41_A     2.231     0    0.147   0.305     5.715   72.976   48.476
LGA    Q    42_A      Q    42_A     1.273     0    0.070   0.956     4.633   83.810   74.127
LGA    S    43_A      S    43_A     0.533     0    0.108   0.622     2.902   90.476   84.921
LGA    S    44_A      S    44_A     0.770     0    0.112   0.127     1.289   88.214   87.460
LGA    I    45_A      I    45_A     0.461     0    0.111   0.685     1.594   92.976   89.524
LGA    R    46_A      R    46_A     1.240     0    0.428   1.016     8.786   77.619   46.970
LGA    S    47_A      S    47_A     1.555     0    0.052   0.648     2.223   70.952   71.667
LGA    E    48_A      E    48_A     3.763     0    0.036   0.898     9.148   46.667   27.831
LGA    G    49_A      G    49_A     3.226     0    0.118   0.118     3.226   55.476   55.476
LGA    F    50_A      F    50_A     3.249     0    0.084   0.908     6.469   51.786   40.173
LGA    R    51_A      R    51_A     1.631     0    0.116   0.873     1.956   72.857   77.619
LGA    S    52_A      S    52_A     1.425     0    0.016   0.056     1.625   83.690   80.079
LGA    L    53_A      L    53_A     0.969     0    0.083   0.258     1.497   83.690   87.083
LGA    A    54_A      A    54_A     1.209     0    0.041   0.087     1.210   83.690   83.238
LGA    A    55_A      A    55_A     1.915     0    0.621   0.603     3.915   63.452   65.333
LGA    E    56_A      E    56_A     2.044     0    0.023   0.220     3.654   68.810   59.312
LGA    E    57_A      E    57_A     1.009     0    0.090   0.948     4.328   81.429   75.026
LGA    A    58_A      A    58_A     1.136     0    0.105   0.134     1.378   85.952   85.048
LGA    V    59_A      V    59_A     0.571     0    0.022   0.136     0.771   90.476   91.837
LGA    E    60_A      E    60_A     0.922     0    0.020   0.703     1.774   85.952   84.497
LGA    F    61_A      F    61_A     1.207     0    0.104   0.157     1.479   81.429   85.541
LGA    E    62_A      E    62_A     0.883     0    0.038   0.792     2.808   88.214   79.947
LGA    V    63_A      V    63_A     1.010     0    0.031   1.207     3.118   88.214   79.592
LGA    E    64_A      E    64_A     0.930     0    0.023   0.323     1.459   85.952   88.519
LGA    I    65_A      I    65_A     1.261     0    0.036   0.601     1.598   81.429   80.357
LGA    D    66_A      D    66_A     1.749     0    0.037   0.157     2.727   75.000   69.940
LGA    N    67_A      N    67_A     1.944     0    0.068   1.155     5.209   68.810   56.131
LGA    N    68_A      N    68_A     2.267     0    0.083   0.952     5.642   66.786   52.500
LGA    N    69_A      N    69_A     1.673     0    0.134   0.999     3.608   72.857   66.190
LGA    R    70_A      R    70_A     1.655     0    0.029   1.074     7.906   75.000   51.429
LGA    P    71_A      P    71_A     0.768     0    0.032   0.075     1.346   85.952   85.306
LGA    K    72_A      K    72_A     0.934     0    0.027   0.211     1.537   90.476   88.519
LGA    A    73_A      A    73_A     0.926     0    0.032   0.039     1.467   85.952   85.048
LGA    I    74_A      I    74_A     1.601     0    0.013   0.616     2.212   79.286   75.060
LGA    D    75_A      D    75_A     1.438     0    0.049   0.209     1.633   79.286   79.286
LGA    V    76_A      V    76_A     1.283     0    0.040   0.043     1.496   81.429   81.429
LGA    S    77_A      S    77_A     1.410     0    0.069   0.125     1.464   81.429   81.429
LGA    G    78_A      G    78_A     1.490     0    0.024   0.024     2.175   72.976   72.976
LGA    P    79_A      P    79_A     2.870     0    0.670   0.649     5.318   47.857   55.170
LGA    D    80_A      D    80_A     3.427     0    0.131   0.338     4.991   45.119   44.464
LGA    G    81_A      G    81_A     3.290     0    0.035   0.035     3.449   51.786   51.786
LGA    A    82_A      A    82_A     2.123     0    0.101   0.145     2.140   68.929   69.714
LGA    P    83_A      P    83_A     3.590     0    0.033   0.053     5.935   43.452   36.122
LGA    V    84_A      V    84_A     4.914     0    0.090   0.102     6.634   26.310   31.020
LGA    Q    85_A      Q    85_A     9.243     0    0.083   1.119    11.469    2.262    1.164
LGA    G    86_A      G    86_A     9.871     0    0.672   0.672    12.328    0.476    0.476
LGA    N    87_A      N    87_A    14.707     0    0.381   0.557    16.809    0.000    0.000
LGA    S    88_A      S    88_A    15.841     0    0.507   0.495    16.814    0.000    0.000
LGA    G    89_A      G    89_A    18.717     0    0.511   0.511    18.717    0.000    0.000
LGA    G    90_A      G    90_A    19.161     0    0.533   0.533    19.161    0.000    0.000
LGA    G    91_A      G    91_A    15.731     0    0.419   0.419    16.865    0.000    0.000
LGA    S    92_A      S    92_A    17.059     0    0.221   0.254    21.530    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):     5.738          5.673                  5.554           65.189   61.299

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     77    1.90    69.293    73.609     3.849

LGA_LOCAL      RMSD:   1.900  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.261  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.738  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.763836 * X  +   0.313262 * Y  +   0.564289 * Z  +   1.127550
  Y_new =   0.477763 * X  +  -0.313388 * Y  +   0.820689 * Z  +  -1.053455
  Z_new =   0.433932 * X  +   0.896468 * Y  +   0.089712 * Z  +   1.711007 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.582649 -0.448853  1.471056   [DEG:  147.9749  -25.7174   84.2853 ]
ZXZ:  2.539251  1.480963  0.450804   [DEG:  145.4884   84.8530   25.8291 ]
 
# END of job
