
#######################################################
#                                                     #
#                        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       2_A - 89_A        4.75     6.18
  LONGEST_CONTINUOUS_SEGMENT:    88       3_A - 90_A        4.77     6.18
  LONGEST_CONTINUOUS_SEGMENT:    88       4_A - 91_A        4.94     6.20
  LCS_AVERAGE:     95.60

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      13_A - 54_A        1.99     6.40
  LCS_AVERAGE:     37.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      12_A - 32_A        0.99     6.84
  LCS_AVERAGE:     14.80

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   87      0    3    3    3    3    5    8    8    9    9   10   11   11   25   33   38   41   41   46   49 
LCS_GDT     H     2_A     H     2_A      5    5   88      3    5    5    7   10   14   16   19   21   26   27   34   36   37   38   52   64   71   79   82 
LCS_GDT     M     3_A     M     3_A      5    5   88      3    5    5    7   11   14   17   20   24   39   58   62   69   75   80   81   82   83   83   84 
LCS_GDT     S     4_A     S     4_A      5    5   88      3    5    6    9   15   26   37   52   64   73   76   77   78   79   81   81   82   83   83   84 
LCS_GDT     G     5_A     G     5_A      5    5   88      2    5   12   22   41   54   65   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D     6_A     D     6_A      5    6   88      0    5    7   14   26   54   65   70   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     N     7_A     N     7_A      4    8   88      0    3    4   16   22   31   41   54   66   71   73   75   78   78   80   80   81   82   83   84 
LCS_GDT     G     8_A     G     8_A      5   39   88      3    4    5    8   13   49   64   70   71   73   76   77   78   79   80   81   82   83   83   84 
LCS_GDT     G     9_A     G     9_A     13   39   88      3   16   30   43   58   64   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    10_A     G    10_A     14   39   88      3    4   39   51   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     E    11_A     E    11_A     14   39   88     14   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     R    12_A     R    12_A     21   39   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     R    13_A     R    13_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     K    14_A     K    14_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    15_A     G    15_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     S    16_A     S    16_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     V    17_A     V    17_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     K    18_A     K    18_A     21   42   88     17   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     W    19_A     W    19_A     21   42   88     14   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     F    20_A     F    20_A     21   42   88     10   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    21_A     D    21_A     21   42   88     17   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     T    22_A     T    22_A     21   42   88      7   12   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     Q    23_A     Q    23_A     21   42   88     11   28   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     K    24_A     K    24_A     21   42   88      7   16   31   50   59   64   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    25_A     G    25_A     21   42   88      7   14   25   48   59   63   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     F    26_A     F    26_A     21   42   88      7   18   37   50   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    27_A     G    27_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     F    28_A     F    28_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     I    29_A     I    29_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     T    30_A     T    30_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     P    31_A     P    31_A     21   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    32_A     D    32_A     21   42   88     11   28   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    33_A     D    33_A     16   42   88      3    9   25   48   59   64   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    34_A     G    34_A      4   42   88      3    3    4    9   19   43   65   70   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    35_A     G    35_A     12   42   88      5   17   34   48   59   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    36_A     D    36_A     12   42   88      6   33   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    37_A     D    37_A     12   42   88     11   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     L    38_A     L    38_A     12   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     F    39_A     F    39_A     12   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     V    40_A     V    40_A     12   42   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     H    41_A     H    41_A     12   42   88      6   27   39   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     Q    42_A     Q    42_A     12   42   88     17   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     S    43_A     S    43_A     12   42   88     10   29   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     S    44_A     S    44_A     12   42   88      6   21   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     I    45_A     I    45_A     12   42   88      6   29   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     R    46_A     R    46_A     12   42   88      6   19   39   52   58   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     S    47_A     S    47_A     11   42   88      3   13   26   44   55   62   68   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     E    48_A     E    48_A      6   42   88      3    5    8   15   29   43   53   62   69   74   76   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    49_A     G    49_A      6   42   88      3    7   14   35   48   59   65   70   73   75   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     F    50_A     F    50_A     16   42   88      5   16   29   50   58   63   68   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     R    51_A     R    51_A     18   42   88      6   18   40   52   59   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     S    52_A     S    52_A     18   42   88      8   26   42   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     L    53_A     L    53_A     18   42   88     11   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     A    54_A     A    54_A     18   42   88     11   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     A    55_A     A    55_A     18   36   88      4   26   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     E    56_A     E    56_A     18   36   88      3   19   40   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     E    57_A     E    57_A     18   36   88     10   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     A    58_A     A    58_A     18   36   88     10   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     V    59_A     V    59_A     18   36   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     E    60_A     E    60_A     18   36   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     F    61_A     F    61_A     18   36   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     E    62_A     E    62_A     18   36   88     17   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     V    63_A     V    63_A     18   36   88      4   23   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     E    64_A     E    64_A     18   36   88      6   33   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     I    65_A     I    65_A     18   36   88      9   30   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    66_A     D    66_A     18   36   88      8   27   40   51   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     N    67_A     N    67_A     18   36   88      8   18   39   51   59   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     N    68_A     N    68_A     18   36   88     12   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     N    69_A     N    69_A     14   36   88      4   14   34   48   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     R    70_A     R    70_A     14   36   88      8   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     P    71_A     P    71_A     14   36   88     17   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     K    72_A     K    72_A     14   36   88      8   28   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     A    73_A     A    73_A     14   36   88      8   14   37   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     I    74_A     I    74_A     14   36   88      8   14   30   47   59   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    75_A     D    75_A     14   36   88     14   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     V    76_A     V    76_A      9   36   88     18   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     S    77_A     S    77_A      9   36   88     17   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    78_A     G    78_A      9   36   88     14   34   43   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     P    79_A     P    79_A      9   36   88      3    3   28   51   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     D    80_A     D    80_A      9   36   88      4    8   39   51   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     G    81_A     G    81_A      9   36   88      4   12   39   51   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     A    82_A     A    82_A      9   36   88      4   17   41   52   60   65   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     P    83_A     P    83_A      9   36   88      4    8   19   47   58   63   69   71   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     V    84_A     V    84_A      5   36   88      3    5    7   11   15   26   50   69   74   76   77   78   78   80   81   81   82   83   83   84 
LCS_GDT     Q    85_A     Q    85_A      5   14   88      3    5    6   10   15   19   26   33   56   67   74   76   78   80   81   81   82   83   83   84 
LCS_GDT     G    86_A     G    86_A      5   14   88      3    5    8   11   17   23   28   44   59   68   72   76   78   80   81   81   82   83   83   84 
LCS_GDT     N    87_A     N    87_A      3    6   88      3    4    4    4    5    6    6    8   28   35   38   44   53   66   72   75   76   80   82   83 
LCS_GDT     S    88_A     S    88_A      3    6   88      3    4    4    6   10   15   19   25   28   35   37   44   52   61   70   75   75   79   82   82 
LCS_GDT     G    89_A     G    89_A      4    6   88      3    4    5    9   12   15   22   25   31   45   55   62   68   73   75   78   79   82   83   84 
LCS_GDT     G    90_A     G    90_A      4    5   88      3    3    4    6   10   14   18   21   24   28   30   34   37   39   57   62   65   69   72   81 
LCS_GDT     G    91_A     G    91_A      4    5   88      3    3    4    7   11   15   18   21   24   27   30   34   36   47   57   62   65   69   72   81 
LCS_GDT     S    92_A     S    92_A      4    5   85      0    3    4    7   12   14   18   21   24   27   30   35   44   47   57   62   70   74   76   81 
LCS_AVERAGE  LCS_A:  49.16  (  14.80   37.06   95.60 )

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     34     43     52     60     65     69     71     74     76     77     78     78     80     81     81     82     83     83     84 
GDT PERCENT_AT  19.57  36.96  46.74  56.52  65.22  70.65  75.00  77.17  80.43  82.61  83.70  84.78  84.78  86.96  88.04  88.04  89.13  90.22  90.22  91.30
GDT RMS_LOCAL    0.31   0.61   0.85   1.08   1.36   1.52   1.72   1.84   2.07   2.27   2.37   2.50   2.48   2.85   3.06   2.95   3.15   3.45   3.28   3.58
GDT RMS_ALL_AT   7.18   7.09   7.06   7.06   7.13   7.09   7.04   6.97   6.91   6.87   6.82   6.76   6.86   6.63   6.55   6.66   6.59   6.49   6.64   6.53

# 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:  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:  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    25.005     0    0.061   0.061    25.828    0.000    0.000
LGA    H     2_A      H     2_A    20.646     0    0.570   1.312    22.350    0.000    0.000
LGA    M     3_A      M     3_A    15.339     0    0.068   0.759    17.563    0.000    0.060
LGA    S     4_A      S     4_A    11.518     0    0.465   0.719    14.922    2.857    1.905
LGA    G     5_A      G     5_A     6.986     0    0.550   0.550     9.140   18.333   18.333
LGA    D     6_A      D     6_A     6.809     0    0.507   1.059    11.772    9.524    5.655
LGA    N     7_A      N     7_A     9.694     0    0.624   1.209    13.365    1.786    0.893
LGA    G     8_A      G     8_A     7.728     0    0.617   0.617     8.410    7.500    7.500
LGA    G     9_A      G     9_A     4.664     0    0.357   0.357     4.900   42.500   42.500
LGA    G    10_A      G    10_A     2.310     0    0.161   0.161     3.797   55.714   55.714
LGA    E    11_A      E    11_A     1.080     0    0.083   0.906     2.388   88.214   81.693
LGA    R    12_A      R    12_A     1.039     0    0.052   1.721     8.841   85.952   50.433
LGA    R    13_A      R    13_A     0.578     0    0.025   1.173     6.328   95.238   70.173
LGA    K    14_A      K    14_A     0.201     0    0.058   0.959     3.808  100.000   89.788
LGA    G    15_A      G    15_A     0.318     0    0.067   0.067     0.320  100.000  100.000
LGA    S    16_A      S    16_A     0.358     0    0.121   0.555     1.719   95.238   90.714
LGA    V    17_A      V    17_A     0.245     0    0.031   0.968     2.619  100.000   90.000
LGA    K    18_A      K    18_A     0.498     0    0.048   1.007     3.387   95.238   85.132
LGA    W    19_A      W    19_A     0.757     0    0.080   0.609     3.128   95.238   76.122
LGA    F    20_A      F    20_A     1.070     0    0.127   0.202     1.584   81.429   79.870
LGA    D    21_A      D    21_A     0.495     0    0.051   0.994     4.866   92.857   76.905
LGA    T    22_A      T    22_A     1.807     0    0.133   1.175     4.148   72.976   63.401
LGA    Q    23_A      Q    23_A     2.001     0    0.022   1.123     5.220   61.667   54.550
LGA    K    24_A      K    24_A     3.518     0    0.032   0.536     6.209   43.810   38.730
LGA    G    25_A      G    25_A     3.527     0    0.054   0.054     3.572   46.667   46.667
LGA    F    26_A      F    26_A     2.396     0    0.056   0.190     3.020   66.905   60.043
LGA    G    27_A      G    27_A     0.461     0    0.053   0.053     1.124   92.976   92.976
LGA    F    28_A      F    28_A     0.355     0    0.036   0.202     0.929  100.000   95.671
LGA    I    29_A      I    29_A     0.381     0    0.078   0.074     0.589   97.619   97.619
LGA    T    30_A      T    30_A     0.602     0    0.037   1.033     2.059   92.857   85.646
LGA    P    31_A      P    31_A     0.584     0    0.099   0.264     1.372   85.952   86.667
LGA    D    32_A      D    32_A     1.789     0    0.584   1.238     3.554   69.048   62.381
LGA    D    33_A      D    33_A     3.848     0    0.477   1.332     8.057   41.905   30.476
LGA    G    34_A      G    34_A     5.650     0    0.131   0.131     5.650   33.690   33.690
LGA    G    35_A      G    35_A     2.998     0    0.530   0.530     3.648   61.548   61.548
LGA    D    36_A      D    36_A     1.160     0    0.086   1.035     5.243   77.381   59.762
LGA    D    37_A      D    37_A     1.139     0    0.059   0.569     3.515   85.952   71.726
LGA    L    38_A      L    38_A     0.262     0    0.074   1.367     4.455   97.619   81.310
LGA    F    39_A      F    39_A     0.683     0    0.043   0.494     1.643   90.476   88.961
LGA    V    40_A      V    40_A     0.933     0    0.024   0.070     1.503   83.810   85.374
LGA    H    41_A      H    41_A     2.137     0    0.117   0.401     6.327   77.381   48.810
LGA    Q    42_A      Q    42_A     0.566     0    0.052   1.082     2.772   90.595   85.026
LGA    S    43_A      S    43_A     1.408     0    0.125   0.113     3.028   71.667   73.492
LGA    S    44_A      S    44_A     1.831     0    0.075   0.096     2.338   72.976   70.238
LGA    I    45_A      I    45_A     1.257     0    0.085   0.704     2.705   73.214   76.369
LGA    R    46_A      R    46_A     2.643     0    0.573   0.842     7.298   49.881   48.961
LGA    S    47_A      S    47_A     4.175     0    0.142   0.660     5.157   36.190   40.873
LGA    E    48_A      E    48_A     7.519     0    0.163   1.375    13.905   11.786    5.291
LGA    G    49_A      G    49_A     6.089     0    0.202   0.202     6.441   27.262   27.262
LGA    F    50_A      F    50_A     4.024     0    0.110   0.176     6.048   37.262   29.091
LGA    R    51_A      R    51_A     2.394     0    0.075   0.670     3.062   62.857   62.035
LGA    S    52_A      S    52_A     1.769     0    0.076   0.642     4.519   77.143   67.460
LGA    L    53_A      L    53_A     1.088     0    0.052   0.210     1.498   81.429   83.690
LGA    A    54_A      A    54_A     0.857     0    0.044   0.054     0.939   90.476   90.476
LGA    A    55_A      A    55_A     1.637     0    0.616   0.597     3.525   67.619   68.667
LGA    E    56_A      E    56_A     2.035     0    0.057   0.759     4.286   75.119   61.323
LGA    E    57_A      E    57_A     0.867     0    0.056   0.844     4.367   85.952   70.159
LGA    A    58_A      A    58_A     0.945     0    0.042   0.071     1.299   90.476   88.667
LGA    V    59_A      V    59_A     0.501     0    0.034   0.185     0.904   95.238   93.197
LGA    E    60_A      E    60_A     0.546     0    0.065   0.823     3.418   90.476   79.259
LGA    F    61_A      F    61_A     0.528     0    0.036   0.117     0.745   90.476   90.476
LGA    E    62_A      E    62_A     0.669     0    0.042   0.895     3.535   85.952   74.709
LGA    V    63_A      V    63_A     1.520     0    0.174   1.254     3.794   79.286   70.068
LGA    E    64_A      E    64_A     1.340     0    0.118   0.930     2.515   81.429   77.778
LGA    I    65_A      I    65_A     1.500     0    0.058   1.339     2.983   72.976   68.988
LGA    D    66_A      D    66_A     2.248     0    0.018   0.534     4.086   66.786   63.452
LGA    N    67_A      N    67_A     3.051     0    0.197   1.318     7.785   53.571   37.917
LGA    N    68_A      N    68_A     1.396     0    0.698   1.276     2.328   75.119   77.381
LGA    N    69_A      N    69_A     2.867     0    0.354   0.322     5.031   57.262   46.607
LGA    R    70_A      R    70_A     0.678     0    0.066   1.247     4.549   90.595   80.346
LGA    P    71_A      P    71_A     0.354     0    0.099   0.358     1.334   90.595   91.905
LGA    K    72_A      K    72_A     1.575     0    0.076   0.679     3.751   77.262   69.735
LGA    A    73_A      A    73_A     2.074     0    0.037   0.046     3.153   61.190   60.381
LGA    I    74_A      I    74_A     2.923     0    0.561   1.189     4.442   54.048   50.595
LGA    D    75_A      D    75_A     1.230     0    0.485   0.755     3.022   75.119   72.321
LGA    V    76_A      V    76_A     0.779     0    0.066   0.066     0.889   90.476   90.476
LGA    S    77_A      S    77_A     0.619     0    0.033   0.158     0.705   90.476   93.651
LGA    G    78_A      G    78_A     0.768     0    0.119   0.119     1.231   85.952   85.952
LGA    P    79_A      P    79_A     2.625     0    0.681   0.608     5.459   51.548   62.177
LGA    D    80_A      D    80_A     2.859     0    0.126   0.968     6.246   53.810   42.798
LGA    G    81_A      G    81_A     2.617     0    0.021   0.021     2.926   60.952   60.952
LGA    A    82_A      A    82_A     2.123     0    0.165   0.202     2.123   72.976   71.333
LGA    P    83_A      P    83_A     3.324     0    0.078   0.422     4.893   43.690   39.252
LGA    V    84_A      V    84_A     5.223     0    0.032   1.085     6.533   25.000   26.259
LGA    Q    85_A      Q    85_A     9.427     0    0.096   1.017    14.138    2.262    1.005
LGA    G    86_A      G    86_A     9.867     0    0.713   0.713    12.468    0.238    0.238
LGA    N    87_A      N    87_A    14.779     0    0.047   1.134    17.423    0.000    0.000
LGA    S    88_A      S    88_A    16.573     0    0.539   0.893    17.013    0.000    0.000
LGA    G    89_A      G    89_A    15.478     0    0.450   0.450    16.911    0.000    0.000
LGA    G    90_A      G    90_A    20.889     0    0.340   0.340    22.547    0.000    0.000
LGA    G    91_A      G    91_A    22.207     0    0.651   0.651    22.402    0.000    0.000
LGA    S    92_A      S    92_A    23.162     0    0.428   0.570    25.930    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):     5.993          5.946                  5.851           61.136   56.497

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     71    1.84    64.674    61.111     3.657

LGA_LOCAL      RMSD:   1.842  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.969  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.993  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.100173 * X  +   0.478506 * Y  +   0.872352 * Z  + -33.687973
  Y_new =  -0.969519 * X  +   0.243983 * Y  +  -0.022500 * Z  + -24.041731
  Z_new =  -0.223605 * X  +  -0.843507 * Y  +   0.488361 * Z  +  26.579323 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.467839  0.225511 -1.045987   [DEG:  -84.1010   12.9209  -59.9307 ]
ZXZ:  1.545010  1.060586 -2.882463   [DEG:   88.5226   60.7671 -165.1530 ]
 
# END of job
