
#######################################################
#                                                     #
#                        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        4.70     5.92
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        4.83     5.83
  LCS_AVERAGE:     95.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      11_A - 65_A        2.00     7.02
  LCS_AVERAGE:     45.89

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      27_A - 42_A        0.99     8.04
  LCS_AVERAGE:     12.57

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    5    9   10   19   25   35   39   44   61   71   76   83   85 
LCS_GDT     H     2_A     H     2_A      4    6   88      3    4    4    4    6    6    7    8   11   14   18   25   30   39   44   48   60   78   83   85 
LCS_GDT     M     3_A     M     3_A      4    6   88      3    4    4    4    6    6    8   12   12   14   17   25   30   37   46   61   71   76   78   85 
LCS_GDT     S     4_A     S     4_A      4    6   88      3    4    4    4    6    8   11   13   22   42   52   60   68   74   77   81   82   84   84   85 
LCS_GDT     G     5_A     G     5_A      4    6   88      3    4    4    4    6    7    8    9   11   19   42   55   60   71   75   79   82   84   84   85 
LCS_GDT     D     6_A     D     6_A      4    6   88      3    3    4   19   24   29   42   53   61   66   72   76   80   80   81   82   82   84   84   85 
LCS_GDT     N     7_A     N     7_A      4    6   88      4   10   19   35   42   56   61   66   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G     8_A     G     8_A      4   38   88      3    3    4    4    6   17   52   64   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G     9_A     G     9_A      3   40   88      3    3   22   30   40   52   63   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    10_A     G    10_A      9   40   88      3   11   17   29   55   60   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     E    11_A     E    11_A     13   55   88     12   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     R    12_A     R    12_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     R    13_A     R    13_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     K    14_A     K    14_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    15_A     G    15_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     S    16_A     S    16_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     V    17_A     V    17_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     K    18_A     K    18_A     14   55   88      9   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     W    19_A     W    19_A     15   55   88     12   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     F    20_A     F    20_A     15   55   88      9   30   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    21_A     D    21_A     15   55   88     11   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     T    22_A     T    22_A     15   55   88     10   26   38   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     Q    23_A     Q    23_A     15   55   88      7   25   39   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     K    24_A     K    24_A     15   55   88      4   11   22   39   53   60   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    25_A     G    25_A     15   55   88      4   12   22   38   53   60   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     F    26_A     F    26_A     15   55   88      5   23   39   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    27_A     G    27_A     16   55   88     15   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     F    28_A     F    28_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     I    29_A     I    29_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     T    30_A     T    30_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     P    31_A     P    31_A     16   55   88     15   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    32_A     D    32_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    33_A     D    33_A     16   55   88      6   22   36   49   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    34_A     G    34_A     16   55   88      3    4   17   31   53   59   65   68   70   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    35_A     G    35_A     16   55   88      3   11   36   49   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    36_A     D    36_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    37_A     D    37_A     16   55   88     14   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     L    38_A     L    38_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     F    39_A     F    39_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     V    40_A     V    40_A     16   55   88     13   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     H    41_A     H    41_A     16   55   88      5   27   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     Q    42_A     Q    42_A     16   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     S    43_A     S    43_A     12   55   88      5   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     S    44_A     S    44_A     12   55   88      5   11   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     I    45_A     I    45_A     12   55   88     12   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     R    46_A     R    46_A      7   55   88      3    4   10   24   55   61   64   67   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     S    47_A     S    47_A      5   55   88      3    3   31   49   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     E    48_A     E    48_A      5   55   88      3    8   20   30   43   53   63   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    49_A     G    49_A      5   55   88      3   13   22   31   43   53   61   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     F    50_A     F    50_A      5   55   88      3    4   21   33   46   56   63   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     R    51_A     R    51_A      9   55   88      3    7   18   26   39   49   61   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     S    52_A     S    52_A     13   55   88      5   16   31   43   55   60   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     L    53_A     L    53_A     13   55   88     10   26   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     A    54_A     A    54_A     13   55   88     11   29   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     A    55_A     A    55_A     13   55   88      7   22   40   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     E    56_A     E    56_A     13   55   88      6   18   41   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     E    57_A     E    57_A     13   55   88      6   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     A    58_A     A    58_A     13   55   88      9   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     V    59_A     V    59_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     E    60_A     E    60_A     13   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     F    61_A     F    61_A     14   55   88     17   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     E    62_A     E    62_A     14   55   88     15   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     V    63_A     V    63_A     14   55   88      6   23   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     E    64_A     E    64_A     14   55   88      6   23   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     I    65_A     I    65_A     14   55   88      7   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    66_A     D    66_A     14   33   88      3    3    7   20   42   56   61   67   70   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     N    67_A     N    67_A     14   33   88      3   16   34   48   55   61   65   67   70   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     N    68_A     N    68_A     14   33   88      6   19   42   49   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     N    69_A     N    69_A     14   33   88     11   32   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     R    70_A     R    70_A     14   33   88      7   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     P    71_A     P    71_A     14   33   88     15   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     K    72_A     K    72_A     14   33   88      6   19   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     A    73_A     A    73_A     14   33   88      6   18   39   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     I    74_A     I    74_A     14   33   88      5   14   33   48   53   61   65   67   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    75_A     D    75_A     14   33   88      9   29   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     V    76_A     V    76_A     12   33   88      9   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     S    77_A     S    77_A     12   33   88      9   34   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    78_A     G    78_A     12   33   88      6   30   43   50   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     P    79_A     P    79_A     11   33   88      6   11   18   49   56   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     D    80_A     D    80_A     11   33   88      6   11   17   35   51   58   64   67   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     G    81_A     G    81_A     11   33   88      6   11   31   49   55   61   65   68   72   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     A    82_A     A    82_A     11   33   88      5   11   26   42   55   59   64   67   70   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     P    83_A     P    83_A     11   33   88      6    9   17   32   48   58   63   67   70   75   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     V    84_A     V    84_A     11   33   88      5    9   17   20   36   53   61   64   70   72   77   78   80   80   81   82   82   84   84   85 
LCS_GDT     Q    85_A     Q    85_A     11   32   88      6    9   12   15   19   25   32   47   59   66   69   73   76   79   81   82   82   84   84   85 
LCS_GDT     G    86_A     G    86_A      6   14   88      3    4   10   14   28   42   55   61   68   71   73   76   80   80   81   82   82   84   84   85 
LCS_GDT     N    87_A     N    87_A      3    4   88      3    3    3    4    4    7   17   23   41   47   58   70   74   76   79   82   82   84   84   85 
LCS_GDT     S    88_A     S    88_A      3    5   88      3    3    5    6    8   13   21   30   40   45   53   56   65   68   71   74   76   79   83   85 
LCS_GDT     G    89_A     G    89_A      4    5   88      3    4    4    4    7    7    8   11   14   28   35   45   56   60   67   70   72   73   77   79 
LCS_GDT     G    90_A     G    90_A      4    5   87      3    4    5    6    7    7   10   11   14   22   29   35   48   59   64   69   72   73   75   79 
LCS_GDT     G    91_A     G    91_A      4    5   87      3    4    5    6    7   10   15   22   28   33   42   46   56   60   67   70   72   73   77   79 
LCS_GDT     S    92_A     S    92_A      4    5   43      3    4    4    4    7   10   15   23   28   36   44   50   56   62   67   70   72   79   80   81 
LCS_AVERAGE  LCS_A:  51.19  (  12.57   45.89   95.10 )

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     17     34     43     50     56     61     65     68     72     75     77     78     80     80     81     82     82     84     84     85 
GDT PERCENT_AT  18.48  36.96  46.74  54.35  60.87  66.30  70.65  73.91  78.26  81.52  83.70  84.78  86.96  86.96  88.04  89.13  89.13  91.30  91.30  92.39
GDT RMS_LOCAL    0.31   0.63   0.84   1.07   1.29   1.50   1.73   2.16   2.38   2.48   2.59   2.66   2.94   2.94   3.08   3.30   3.30   3.75   3.75   4.02
GDT RMS_ALL_AT   7.25   7.09   7.01   6.97   7.09   6.97   7.14   6.92   6.71   6.65   6.67   6.64   6.47   6.47   6.42   6.31   6.31   6.13   6.13   6.02

# 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    26_A      F    26_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    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_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    16.790     0    0.256   0.256    16.790    0.000    0.000
LGA    H     2_A      H     2_A    14.887     0    0.625   1.303    16.065    0.000    0.000
LGA    M     3_A      M     3_A    16.226     0    0.575   1.119    19.155    0.000    0.000
LGA    S     4_A      S     4_A    13.315     0    0.306   0.701    14.439    0.000    0.000
LGA    G     5_A      G     5_A    14.165     0    0.020   0.020    14.165    0.000    0.000
LGA    D     6_A      D     6_A     9.910     0    0.407   1.232    11.029    0.595    0.714
LGA    N     7_A      N     7_A     5.834     0    0.207   0.243     7.770   22.857   19.167
LGA    G     8_A      G     8_A     5.771     0    0.400   0.400     5.771   25.119   25.119
LGA    G     9_A      G     9_A     4.558     0    0.547   0.547     6.331   30.714   30.714
LGA    G    10_A      G    10_A     3.108     0    0.366   0.366     3.108   63.095   63.095
LGA    E    11_A      E    11_A     1.007     0    0.077   0.631     3.768   83.810   73.757
LGA    R    12_A      R    12_A     0.629     0    0.015   1.552     4.121   95.238   77.229
LGA    R    13_A      R    13_A     0.456     0    0.062   1.488     6.213   95.238   72.035
LGA    K    14_A      K    14_A     0.237     0    0.038   0.724     3.465   97.619   85.714
LGA    G    15_A      G    15_A     0.300     0    0.043   0.043     0.822   97.619   97.619
LGA    S    16_A      S    16_A     0.281     0    0.032   0.678     2.336   97.619   92.540
LGA    V    17_A      V    17_A     0.329     0    0.034   0.108     0.833   95.238   95.918
LGA    K    18_A      K    18_A     0.855     0    0.033   0.994     2.278   90.476   80.741
LGA    W    19_A      W    19_A     0.869     0    0.014   1.427     3.900   95.238   77.075
LGA    F    20_A      F    20_A     1.256     0    0.101   0.162     1.585   79.286   80.649
LGA    D    21_A      D    21_A     0.748     0    0.084   0.456     3.158   92.857   83.274
LGA    T    22_A      T    22_A     1.341     0    0.020   1.181     4.077   79.524   68.299
LGA    Q    23_A      Q    23_A     1.711     0    0.208   1.197     4.379   70.952   63.968
LGA    K    24_A      K    24_A     3.491     0    0.041   0.914     4.201   48.571   47.884
LGA    G    25_A      G    25_A     3.233     0    0.048   0.048     3.233   53.571   53.571
LGA    F    26_A      F    26_A     1.449     0    0.061   1.177     7.394   79.524   50.952
LGA    G    27_A      G    27_A     0.219     0    0.061   0.061     0.618   97.619   97.619
LGA    F    28_A      F    28_A     0.369     0    0.039   0.296     2.205  100.000   84.416
LGA    I    29_A      I    29_A     0.106     0    0.015   0.098     0.805  100.000   98.810
LGA    T    30_A      T    30_A     0.235     0    0.057   0.073     0.400  100.000  100.000
LGA    P    31_A      P    31_A     0.618     0    0.019   0.352     1.142   92.857   93.265
LGA    D    32_A      D    32_A     0.639     0    0.082   0.882     3.875   86.190   74.405
LGA    D    33_A      D    33_A     2.116     0    0.070   1.195     4.687   58.333   54.583
LGA    G    34_A      G    34_A     3.995     0    0.273   0.273     3.995   61.905   61.905
LGA    G    35_A      G    35_A     2.864     0    0.310   0.310     2.864   64.881   64.881
LGA    D    36_A      D    36_A     1.337     0    0.044   0.701     3.452   79.286   74.405
LGA    D    37_A      D    37_A     0.690     0    0.028   0.589     2.458   90.476   87.321
LGA    L    38_A      L    38_A     0.545     0    0.031   0.830     2.869   90.476   80.893
LGA    F    39_A      F    39_A     0.823     0    0.019   0.420     4.254   85.952   66.190
LGA    V    40_A      V    40_A     1.253     0    0.017   0.122     1.647   79.405   79.048
LGA    H    41_A      H    41_A     2.554     0    0.145   0.423     5.773   62.857   44.429
LGA    Q    42_A      Q    42_A     1.854     0    0.018   1.077     2.329   72.857   75.873
LGA    S    43_A      S    43_A     1.476     0    0.083   0.591     3.327   79.286   73.333
LGA    S    44_A      S    44_A     1.431     0    0.026   0.618     1.660   79.286   80.079
LGA    I    45_A      I    45_A     1.226     0    0.680   1.306     3.549   81.429   76.726
LGA    R    46_A      R    46_A     4.152     0    0.629   1.151     9.218   40.476   22.641
LGA    S    47_A      S    47_A     1.816     0    0.221   0.656     3.112   59.286   63.889
LGA    E    48_A      E    48_A     4.690     0    0.234   1.278     9.851   33.571   20.847
LGA    G    49_A      G    49_A     5.163     0    0.531   0.531     7.405   23.452   23.452
LGA    F    50_A      F    50_A     3.981     0    0.155   1.162     9.602   50.357   27.316
LGA    R    51_A      R    51_A     4.995     0    0.243   1.288    10.690   31.548   12.771
LGA    S    52_A      S    52_A     2.407     0    0.128   0.668     3.539   54.048   55.159
LGA    L    53_A      L    53_A     0.833     0    0.067   0.180     1.099   88.214   89.345
LGA    A    54_A      A    54_A     0.829     0    0.059   0.075     0.927   90.476   90.476
LGA    A    55_A      A    55_A     1.801     0    0.633   0.613     3.756   67.619   67.048
LGA    E    56_A      E    56_A     2.113     0    0.012   0.835     5.691   68.810   54.127
LGA    E    57_A      E    57_A     1.064     0    0.059   0.943     4.885   81.429   70.159
LGA    A    58_A      A    58_A     1.281     0    0.057   0.082     1.644   81.429   79.714
LGA    V    59_A      V    59_A     1.051     0    0.023   0.131     1.093   81.429   85.306
LGA    E    60_A      E    60_A     1.171     0    0.044   0.577     1.812   79.286   78.571
LGA    F    61_A      F    61_A     1.217     0    0.119   0.142     1.528   79.286   87.316
LGA    E    62_A      E    62_A     1.225     0    0.035   0.827     2.025   81.429   80.635
LGA    V    63_A      V    63_A     1.714     0    0.064   1.182     3.642   72.857   69.864
LGA    E    64_A      E    64_A     1.986     0    0.085   0.625     2.444   72.857   76.825
LGA    I    65_A      I    65_A     1.857     0    0.597   0.589     3.288   63.214   72.440
LGA    D    66_A      D    66_A     4.989     0    0.200   1.065     6.629   34.405   30.060
LGA    N    67_A      N    67_A     4.076     0    0.360   0.970     9.431   53.452   32.321
LGA    N    68_A      N    68_A     3.173     0    0.678   1.113     4.011   53.571   55.000
LGA    N    69_A      N    69_A     2.450     0    0.036   0.111     3.693   65.119   57.619
LGA    R    70_A      R    70_A     1.525     0    0.020   0.723     2.315   75.000   76.840
LGA    P    71_A      P    71_A     1.017     0    0.045   0.043     1.574   79.286   84.082
LGA    K    72_A      K    72_A     1.820     0    0.047   0.184     3.182   75.000   65.979
LGA    A    73_A      A    73_A     2.385     0    0.032   0.033     3.704   55.714   56.000
LGA    I    74_A      I    74_A     3.619     0    0.617   1.377     5.102   40.714   41.369
LGA    D    75_A      D    75_A     2.641     0    0.395   0.688     3.401   55.357   59.226
LGA    V    76_A      V    76_A     1.971     0    0.022   0.075     2.274   66.786   68.231
LGA    S    77_A      S    77_A     2.119     0    0.096   0.150     2.148   68.810   68.810
LGA    G    78_A      G    78_A     2.651     0    0.060   0.060     2.651   60.952   60.952
LGA    P    79_A      P    79_A     3.214     0    0.019   0.117     4.465   45.357   45.442
LGA    D    80_A      D    80_A     5.247     0    0.062   1.263     9.567   27.738   17.798
LGA    G    81_A      G    81_A     3.650     0    0.126   0.126     4.269   38.690   38.690
LGA    A    82_A      A    82_A     5.367     0    0.013   0.025     6.200   31.548   28.667
LGA    P    83_A      P    83_A     5.671     0    0.049   0.109     7.055   18.333   16.803
LGA    V    84_A      V    84_A     6.568     0    0.356   1.230     9.109    9.167   17.551
LGA    Q    85_A      Q    85_A    10.000     0    0.051   1.230    15.531    0.952    0.423
LGA    G    86_A      G    86_A     8.611     0    0.677   0.677     9.149    4.048    4.048
LGA    N    87_A      N    87_A    12.804     0    0.185   1.351    16.764    0.000    0.000
LGA    S    88_A      S    88_A    16.604     0    0.443   0.655    18.673    0.000    0.000
LGA    G    89_A      G    89_A    21.486     0    0.535   0.535    23.323    0.000    0.000
LGA    G    90_A      G    90_A    23.147     0    0.373   0.373    25.438    0.000    0.000
LGA    G    91_A      G    91_A    23.049     0    0.277   0.277    23.049    0.000    0.000
LGA    S    92_A      S    92_A    20.880     0    0.303   0.868    21.582    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):     5.685          5.641                  5.715           57.814   53.935

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     68    2.16    63.587    62.140     3.013

LGA_LOCAL      RMSD:   2.157  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.922  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.685  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.478009 * X  +  -0.865365 * Y  +   0.150503 * Z  +  -6.761619
  Y_new =  -0.838189 * X  +  -0.500627 * Y  +  -0.216360 * Z  +  13.273959
  Z_new =   0.262576 * X  +  -0.022728 * Y  +  -0.964644 * Z  + -11.901714 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.052510 -0.265691 -3.118037   [DEG:  -60.3044  -15.2230 -178.6503 ]
ZXZ:  0.607775  2.874884  1.657137   [DEG:   34.8229  164.7187   94.9470 ]
 
# END of job
