
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51       7_B - 57_B        4.95     8.61
  LCS_AVERAGE:     55.81

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      47_B - 66_B        1.80    16.91
  LONGEST_CONTINUOUS_SEGMENT:    20      48_B - 67_B        1.94    16.32
  LCS_AVERAGE:     19.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      20_B - 35_B        0.82    11.47
  LCS_AVERAGE:     13.26

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
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     3_B     G     3_B      3    6   15      0    3    4    5    5    6   11   15   20   29   37   44   49   51   56   60   63   71   72   75 
LCS_GDT     M     4_B     M     4_B      3    6   17      3    3    4    5    5    6    7   15   20   29   33   44   49   51   56   60   66   71   72   76 
LCS_GDT     E     5_B     E     5_B      4    9   17      3    6    7   11   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     K     6_B     K     6_B      4    9   17      3    6    7   11   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     V     7_B     V     7_B      6    9   51      4    7   10   13   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     T     8_B     T     8_B      6    9   51      3    5    8   14   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     V     9_B     V     9_B      6    9   51      3    5    6   14   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     V    10_B     V    10_B      6    9   51      3    6    9   16   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     L    11_B     L    11_B      6    9   51      3    5    6   17   22   23   25   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     Y    12_B     Y    12_B      6    9   51      3    5    6   17   22   23   25   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     V    13_B     V    13_B      4    9   51      3    6   10   17   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     N    14_B     N    14_B      4    9   51      3    6   10   17   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     G    15_B     G    15_B      5    6   51      4    5   13   16   18   19   23   29   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     D    16_B     D    16_B      5    6   51      4    5    5    7   18   20   23   27   30   35   42   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    17_B     E    17_B      5    6   51      4    5    5    6    8   11   22   25   28   31   34   42   46   55   60   61   67   71   76   77 
LCS_GDT     V    18_B     V    18_B      5    6   51      4    5    5    6    7   15   21   23   25   26   27   28   39   45   52   57   65   71   73   74 
LCS_GDT     A    19_B     A    19_B      5   18   51      3    5    5    7   11   20   23   25   30   35   41   47   54   61   64   66   69   73   76   77 
LCS_GDT     L    20_B     L    20_B     16   19   51      3   12   16   16   17   18   19   25   28   31   36   42   46   55   61   66   69   73   76   77 
LCS_GDT     V    21_B     V    21_B     16   19   51      6   13   16   16   17   18   22   25   28   34   40   46   50   55   61   66   69   73   76   77 
LCS_GDT     H    22_B     H    22_B     16   19   51      5   13   16   16   17   18   22   25   30   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     A    23_B     A    23_B     16   19   51      5   10   16   16   17   18   19   20   27   35   41   47   54   61   64   66   69   73   76   77 
LCS_GDT     F    24_B     F    24_B     16   19   51      5   13   16   16   17   18   19   25   28   34   41   46   52   56   63   66   69   73   76   77 
LCS_GDT     M    25_B     M    25_B     16   19   51      6   13   16   16   17   18   22   25   30   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     T    26_B     T    26_B     16   19   51      6   13   16   16   17   18   22   28   34   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     T    27_B     T    27_B     16   19   51      6   13   16   16   17   18   22   27   34   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     A    28_B     A    28_B     16   19   51      6   13   16   16   17   18   22   27   34   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     S    29_B     S    29_B     16   19   51      6   13   16   16   17   22   26   29   34   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     L    30_B     L    30_B     16   19   51      6   13   16   16   17   22   26   30   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     L    31_B     L    31_B     16   19   51      6   13   16   16   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     A    32_B     A    32_B     16   19   51      6   13   16   16   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     K    33_B     K    33_B     16   19   51      6   13   16   16   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    34_B     E    34_B     16   19   51      6   12   16   16   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     G    35_B     G    35_B     16   19   51      6   13   16   16   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     K    36_B     K    36_B     13   19   51      0    5   10   16   17   21   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     L    37_B     L    37_B      3   19   51      0    5    5    5   16   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     V    38_B     V    38_B      3   19   51      3    5    5    7   11   16   20   27   31   36   43   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    39_B     E    39_B      3    6   51      3    3    5    7   10   16   19   24   30   35   40   44   48   52   60   65   69   73   76   77 
LCS_GDT     K    40_B     K    40_B      4    6   51      3    4    6    7   13   15   19   26   31   35   42   49   54   61   64   66   69   73   76   77 
LCS_GDT     L    41_B     L    41_B      4    6   51      3    4    6    6   10   15   24   26   31   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     I    42_B     I    42_B      4    6   51      3    4    6    7   11   15   18   22   28   35   40   44   48   52   57   65   69   72   76   77 
LCS_GDT     L    43_B     L    43_B      4    6   51      3    4    6    7   13   15   18   22   31   35   40   46   53   60   64   66   69   73   76   77 
LCS_GDT     T    44_B     T    44_B      4    6   51      3    3    5    7   11   13   17   20   28   35   40   44   49   52   59   65   69   73   76   77 
LCS_GDT     S    45_B     S    45_B      3    7   51      3    3    5    5    8   11   17   18   24   29   39   44   46   48   53   57   62   69   72   76 
LCS_GDT     N    46_B     N    46_B      4    9   51      3    4    4    7   11   12   18   22   28   35   40   44   51   55   62   66   69   73   76   77 
LCS_GDT     F    47_B     F    47_B      5   20   51      3    4    9   17   17   22   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     T    48_B     T    48_B     15   20   51      3    4   12   17   19   20   23   26   31   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    49_B     E    49_B     15   20   51      8   13   14   17   19   20   23   25   27   35   40   44   48   56   62   66   69   73   76   77 
LCS_GDT     R    50_B     R    50_B     15   20   51      8   13   14   17   19   20   23   25   28   35   40   44   48   56   62   66   69   73   76   77 
LCS_GDT     T    51_B     T    51_B     15   20   51      8   13   14   17   19   20   23   25   30   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     V    52_B     V    52_B     15   20   51      8   13   14   17   19   20   23   29   34   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     R    53_B     R    53_B     15   20   51      8   13   14   17   19   20   23   25   30   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     R    54_B     R    54_B     15   20   51      8   13   14   17   19   20   23   25   30   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     A    55_B     A    55_B     15   20   51      8   13   14   17   19   20   23   29   34   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     F    56_B     F    56_B     15   20   51      8   13   14   17   19   22   26   29   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     D    57_B     D    57_B     15   20   51      6   13   14   17   19   20   23   27   34   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     L    58_B     L    58_B     15   20   50      6   13   14   17   19   20   23   25   29   38   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     V    59_B     V    59_B     15   20   45      6   13   14   17   19   20   23   29   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     R    60_B     R    60_B     15   20   43      6   13   14   17   19   22   26   29   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    61_B     E    61_B     15   20   43      3   11   14   17   19   20   23   25   26   34   38   47   55   61   64   66   69   73   76   77 
LCS_GDT     L    62_B     L    62_B     15   20   37      5   13   14   17   19   20   23   25   26   28   30   31   34   39   56   64   69   73   76   77 
LCS_GDT     L    63_B     L    63_B     15   20   37      3    4   11   17   19   20   23   25   26   28   30   43   51   54   64   66   69   73   76   77 
LCS_GDT     P    64_B     P    64_B      4   20   37      3    4    5   16   19   20   23   25   26   34   44   47   57   61   64   66   69   73   76   77 
LCS_GDT     A    65_B     A    65_B      4   20   37      3    4    5   12   15   18   25   31   36   40   44   48   53   60   64   66   69   73   76   77 
LCS_GDT     K    66_B     K    66_B      7   20   37      5   10   13   17   22   23   25   28   32   35   40   45   50   52   61   65   69   72   76   77 
LCS_GDT     A    67_B     A    67_B      7   20   37      5    6   13   17   22   23   25   31   33   39   44   47   52   58   64   66   69   73   76   77 
LCS_GDT     E    68_B     E    68_B      7   19   37      5    5   11   15   22   23   25   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     I    69_B     I    69_B     12   19   37      5    5   11   17   22   23   25   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     I    70_B     I    70_B     14   19   37      5    8   14   17   22   23   25   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     D    71_B     D    71_B     14   19   37     10   13   13   17   22   23   25   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     A    72_B     A    72_B     14   19   37     10   13   13   16   22   23   25   28   33   39   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     L    73_B     L    73_B     14   19   37     10   13   13   17   22   23   25   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     R    74_B     R    74_B     14   19   37     10   13   13   17   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    75_B     E    75_B     14   19   37     10   13   13   17   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    76_B     E    76_B     14   19   37     10   13   13   16   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     A    77_B     A    77_B     14   19   37     10   13   13   17   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    78_B     E    78_B     14   19   37     10   13   13   17   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     K    79_B     K    79_B     14   19   37     10   13   13   17   22   23   26   31   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     Y    80_B     Y    80_B     14   19   37     10   13   13   17   22   23   25   28   34   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     F    81_B     F    81_B     14   19   37      5   13   13   16   18   23   25   27   32   36   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     A    82_B     A    82_B     14   19   37      5   13   13   16   22   23   25   28   36   40   44   49   57   61   64   66   69   73   76   77 
LCS_GDT     E    83_B     E    83_B     14   19   37      3   13   13   17   22   23   25   27   31   35   43   49   57   61   64   66   69   73   76   77 
LCS_AVERAGE  LCS_A:  29.53  (  13.26   19.52   55.81 )

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     10     13     16     17     22     23     26     31     36     40     44     49     57     61     64     66     69     73     76     77 
GDT PERCENT_AT  12.35  16.05  19.75  20.99  27.16  28.40  32.10  38.27  44.44  49.38  54.32  60.49  70.37  75.31  79.01  81.48  85.19  90.12  93.83  95.06
GDT RMS_LOCAL    0.23   0.53   0.82   1.28   1.62   1.69   2.59   6.32   3.27   3.53   3.73   4.17   4.66   4.86   5.02   5.13   5.35   5.67   5.86   5.96
GDT RMS_ALL_AT   9.84  10.35  11.47  15.64   9.40   9.44   7.02   7.82   7.15   6.92   6.96   6.61   6.37   6.35   6.36   6.37   6.36   6.37   6.37   6.38

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_B
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  D    16_B      D    16_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    68_B      E    68_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  F    81_B      F    81_B
#   possible swapping detected:  E    83_B      E    83_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     7.509     0    0.420   0.420     9.055    6.429    6.429
LGA    M     4_B      M     4_B     7.195     0    0.321   1.048    13.840   23.690   12.440
LGA    E     5_B      E     5_B     3.871     0    0.466   1.313     6.672   40.357   26.614
LGA    K     6_B      K     6_B     3.525     0    0.048   0.461     9.992   60.238   33.175
LGA    V     7_B      V     7_B     1.536     0    0.122   1.152     4.910   77.262   60.136
LGA    T     8_B      T     8_B     1.366     0    0.079   0.077     3.803   77.262   63.673
LGA    V     9_B      V     9_B     0.727     0    0.663   1.309     4.221   76.667   64.558
LGA    V    10_B      V    10_B     2.280     0    0.065   0.999     4.345   62.976   57.619
LGA    L    11_B      L    11_B     3.573     0    0.444   0.884     7.030   37.976   31.310
LGA    Y    12_B      Y    12_B     3.241     0    0.174   1.212    13.119   52.024   22.579
LGA    V    13_B      V    13_B     1.237     0    0.216   1.281     4.254   73.214   61.701
LGA    N    14_B      N    14_B     1.305     0    0.648   0.475     5.446   67.500   55.000
LGA    G    15_B      G    15_B     7.351     0    0.642   0.642    10.376    9.405    9.405
LGA    D    16_B      D    16_B    11.905     0    0.081   1.187    15.593    0.119    0.060
LGA    E    17_B      E    17_B    15.449     0    0.477   0.792    23.296    0.000    0.000
LGA    V    18_B      V    18_B    15.143     0    0.293   0.961    16.289    0.000    0.000
LGA    A    19_B      A    19_B    12.512     0    0.598   0.536    13.734    0.000    0.000
LGA    L    20_B      L    20_B    15.139     0    0.561   1.400    18.765    0.000    0.000
LGA    V    21_B      V    21_B    14.982     0    0.076   1.020    16.670    0.000    0.000
LGA    H    22_B      H    22_B    13.108     0    0.052   0.687    14.106    0.000    0.000
LGA    A    23_B      A    23_B    12.815     0    0.056   0.058    13.848    0.000    0.000
LGA    F    24_B      F    24_B    12.512     0    0.033   0.319    15.427    0.000    0.000
LGA    M    25_B      M    25_B    10.949     0    0.051   0.831    12.143    0.357    0.238
LGA    T    26_B      T    26_B     9.526     0    0.063   0.187    10.491    2.619    1.565
LGA    T    27_B      T    27_B     8.522     0    0.025   0.132     9.785    6.190    4.218
LGA    A    28_B      A    28_B     7.775     0    0.049   0.046     8.633    9.762    8.381
LGA    S    29_B      S    29_B     6.585     0    0.026   0.650     9.685   19.048   14.444
LGA    L    30_B      L    30_B     5.233     0    0.047   0.873     6.018   32.024   28.036
LGA    L    31_B      L    31_B     3.761     0    0.132   0.149     4.581   45.238   43.631
LGA    A    32_B      A    32_B     4.088     0    0.057   0.066     5.064   43.571   40.095
LGA    K    33_B      K    33_B     2.673     0    0.031   0.635     6.704   65.357   47.937
LGA    E    34_B      E    34_B     1.458     0    0.162   0.331     3.090   86.190   74.444
LGA    G    35_B      G    35_B     1.509     0    0.531   0.531     3.652   67.619   67.619
LGA    K    36_B      K    36_B     2.023     0    0.609   0.846     8.405   84.048   51.799
LGA    L    37_B      L    37_B     3.210     0    0.586   1.406     9.206   52.024   31.369
LGA    V    38_B      V    38_B     6.174     0    0.591   1.371     9.138   15.833   13.129
LGA    E    39_B      E    39_B     9.833     0    0.053   0.917    16.216    2.381    1.058
LGA    K    40_B      K    40_B     7.777     0    0.696   1.061    15.554   12.857    6.032
LGA    L    41_B      L    41_B     6.522     0    0.131   0.405    10.329    7.024    9.107
LGA    I    42_B      I    42_B     9.326     0    0.108   1.161    14.017    7.262    3.631
LGA    L    43_B      L    43_B     7.271     0    0.528   0.769     9.637    8.690    6.012
LGA    T    44_B      T    44_B     7.932     0    0.275   1.222     8.397    6.667    7.823
LGA    S    45_B      S    45_B     8.894     0    0.452   0.774     9.103    5.714    4.286
LGA    N    46_B      N    46_B     7.312     0    0.516   1.353     8.671   15.000    9.702
LGA    F    47_B      F    47_B     3.432     0    0.114   0.413     7.590   28.214   31.126
LGA    T    48_B      T    48_B     7.964     0    0.266   0.501    10.302    9.286    6.190
LGA    E    49_B      E    49_B    13.155     0    0.246   1.199    16.638    0.000    0.000
LGA    R    50_B      R    50_B    15.284     0    0.051   1.583    22.618    0.000    0.000
LGA    T    51_B      T    51_B    10.923     0    0.073   1.057    12.311    1.071    0.680
LGA    V    52_B      V    52_B     7.062     0    0.077   0.880     8.616    7.500   10.340
LGA    R    53_B      R    53_B    10.966     0    0.049   1.592    20.404    0.119    0.043
LGA    R    54_B      R    54_B    12.537     0    0.040   1.319    20.142    0.000    0.000
LGA    A    55_B      A    55_B     7.737     0    0.055   0.054     9.218    8.810   10.476
LGA    F    56_B      F    56_B     5.712     0    0.075   0.935     7.855   15.476   14.805
LGA    D    57_B      D    57_B    10.407     0    0.047   0.383    14.320    0.714    0.357
LGA    L    58_B      L    58_B    10.855     0    0.035   1.182    15.717    0.357    0.179
LGA    V    59_B      V    59_B     6.095     0    0.093   0.277     7.406   16.429   27.211
LGA    R    60_B      R    60_B     6.584     0    0.060   1.268    12.584   10.000    4.805
LGA    E    61_B      E    61_B    12.199     0    0.282   1.314    15.639    0.000    0.000
LGA    L    62_B      L    62_B    12.357     0    0.606   0.595    16.705    0.119    0.060
LGA    L    63_B      L    63_B     8.963     0    0.381   1.206    11.518    7.500    4.702
LGA    P    64_B      P    64_B     6.599     0    0.638   0.515    10.495   19.524   11.837
LGA    A    65_B      A    65_B     2.811     0    0.715   0.647     4.919   43.810   42.476
LGA    K    66_B      K    66_B     5.030     0    0.488   1.215    13.285   31.190   16.138
LGA    A    67_B      A    67_B     3.600     0    0.165   0.156     3.965   48.452   48.762
LGA    E    68_B      E    68_B     3.109     0    0.114   0.895     4.270   55.476   48.095
LGA    I    69_B      I    69_B     3.305     0    0.666   0.799     5.138   44.048   45.833
LGA    I    70_B      I    70_B     2.971     0    0.109   0.125     4.390   57.143   52.024
LGA    D    71_B      D    71_B     3.176     0    0.117   1.079     5.498   51.786   43.869
LGA    A    72_B      A    72_B     4.166     0    0.037   0.041     5.027   41.786   38.667
LGA    L    73_B      L    73_B     3.019     0    0.044   1.341     4.611   57.381   54.107
LGA    R    74_B      R    74_B     0.598     0    0.073   1.312     5.095   88.214   69.394
LGA    E    75_B      E    75_B     1.675     0    0.081   0.697     5.728   72.857   57.249
LGA    E    76_B      E    76_B     3.415     0    0.091   0.860     6.657   50.119   35.661
LGA    A    77_B      A    77_B     3.159     0    0.065   0.059     3.849   50.119   51.524
LGA    E    78_B      E    78_B     2.051     0    0.138   0.702     2.968   62.857   66.667
LGA    K    79_B      K    79_B     2.508     0    0.060   0.706     5.578   55.476   44.497
LGA    Y    80_B      Y    80_B     5.354     0    0.079   0.099    11.218   24.524   11.627
LGA    F    81_B      F    81_B     6.120     0    0.155   0.237     8.220   16.429   15.801
LGA    A    82_B      A    82_B     4.817     0    0.128   0.143     5.747   27.619   32.095
LGA    E    83_B      E    83_B     6.841     0    0.203   1.242    12.180   12.976    6.402

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):     6.348          6.193                  7.503           28.123   23.246

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     31    6.32    39.198    34.673     0.483

LGA_LOCAL      RMSD:   6.321  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.872  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   6.348  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.612038 * X  +  -0.167228 * Y  +   0.772945 * Z  +   5.293000
  Y_new =  -0.618403 * X  +  -0.710426 * Y  +   0.335966 * Z  + -10.328313
  Z_new =   0.492937 * X  +  -0.683616 * Y  +  -0.538222 * Z  + -56.221596 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.790571 -0.515462 -2.237756   [DEG:  -45.2964  -29.5338 -128.2139 ]
ZXZ:  1.980818  2.139122  2.516863   [DEG:  113.4925  122.5627  144.2056 ]
 
# END of job
