
#######################################################
#                                                     #
#                        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 (  623),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  623),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:E  -ch2:E  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        4.68     4.68
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      32_E - 62_E        1.99     6.38
  LCS_AVERAGE:     33.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      39_E - 60_E        0.97     8.47
  LONGEST_CONTINUOUS_SEGMENT:    22      40_E - 61_E        0.98     8.50
  LCS_AVERAGE:     23.34

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     M     1_E     M     1_E     19   22   83      3    3    5   10   16   20   20   25   26   35   39   41   52   55   58   63   67   77   81   81 
LCS_GDT     S     2_E     S     2_E     20   22   83      8   18   18   19   23   32   36   38   42   46   53   64   72   75   80   81   82   82   82   82 
LCS_GDT     G     3_E     G     3_E     20   22   83     12   18   18   19   25   32   37   42   48   57   64   71   75   78   80   81   82   82   82   82 
LCS_GDT     D     4_E     D     4_E     20   22   83     12   18   18   19   25   32   46   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     N     5_E     N     5_E     20   22   83     12   18   18   19   23   32   36   39   47   55   64   71   75   78   80   81   82   82   82   82 
LCS_GDT     F     6_E     F     6_E     20   22   83     12   18   18   19   25   32   36   40   48   57   64   71   75   78   80   81   82   82   82   82 
LCS_GDT     L     7_E     L     7_E     20   22   83     10   18   18   24   28   32   46   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K     8_E     K     8_E     20   22   83     12   18   18   19   25   32   37   51   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A     9_E     A     9_E     20   22   83     12   18   18   19   23   32   36   42   51   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     F    10_E     F    10_E     20   22   83     10   18   18   24   28   32   46   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    11_E     A    11_E     20   22   83     12   18   18   22   28   32   37   48   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    12_E     A    12_E     20   22   83     12   18   18   19   22   32   37   43   53   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    13_E     L    13_E     20   22   83     12   18   18   24   28   32   37   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    14_E     E    14_E     20   28   83     12   18   18   22   28   32   37   46   55   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    15_E     A    15_E     20   28   83     12   18   18   20   28   32   37   42   51   60   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    16_E     L    16_E     20   28   83     12   18   18   24   28   32   37   43   52   60   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    17_E     A    17_E     20   28   83      8   18   18   19   28   32   37   48   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    18_E     A    18_E     20   28   83      9   18   18   20   25   32   37   42   51   54   65   70   75   78   80   81   82   82   82   82 
LCS_GDT     L    19_E     L    19_E     20   28   83      9   18   18   20   28   32   37   42   46   57   62   69   75   78   80   81   82   82   82   82 
LCS_GDT     P    20_E     P    20_E     20   28   83      1   15   16   20   25   32   37   42   46   50   59   67   73   78   80   81   82   82   82   82 
LCS_GDT     A    21_E     A    21_E     20   28   83      0    3   16   24   26   32   37   42   48   57   62   69   75   78   80   81   82   82   82   82 
LCS_GDT     S    22_E     S    22_E      3   28   83      3    3    4   10   26   32   37   42   48   57   62   69   75   78   80   81   82   82   82   82 
LCS_GDT     A    23_E     A    23_E     15   28   83      5   15   17   20   28   32   37   42   46   57   62   70   75   78   80   81   82   82   82   82 
LCS_GDT     K    24_E     K    24_E     15   28   83     10   15   17   24   28   32   37   43   51   60   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    25_E     E    25_E     15   28   83     10   15   19   24   28   32   37   43   51   60   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    26_E     L    26_E     15   28   83     10   15   17   24   28   33   37   44   53   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     Q    27_E     Q    27_E     15   28   83     10   15   17   24   28   33   37   44   55   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    28_E     L    28_E     15   28   83     10   16   21   24   28   33   39   48   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    29_E     E    29_E     15   28   83     10   15   18   24   30   38   46   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    30_E     L    30_E     15   28   83     10   15   18   24   30   38   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     I    31_E     I    31_E     15   28   83     10   15   18   24   30   40   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    32_E     K    32_E     15   31   83     10   15   18   24   32   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     Q    33_E     Q    33_E     15   31   83     10   15   18   27   35   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     F    34_E     F    34_E     15   31   83      4   15   18   24   34   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     M    35_E     M    35_E     15   31   83      7   12   18   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    36_E     A    36_E     15   31   83      7   12   18   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    37_E     E    37_E     15   31   83      7   12   18   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    38_E     A    38_E     21   31   83      7   12   18   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     M    39_E     M    39_E     22   31   83      5   11   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    40_E     K    40_E     22   31   83     12   20   23   29   36   40   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     I    41_E     I    41_E     22   31   83      3    7   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     G    42_E     G    42_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     N    43_E     N    43_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    44_E     K    44_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    45_E     E    45_E     22   31   83     14   20   23   29   36   41   47   52   56   62   66   71   75   78   80   81   82   82   82   82 
LCS_GDT     G    46_E     G    46_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    47_E     L    47_E     22   31   83     12   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    48_E     L    48_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    49_E     L    49_E     22   31   83     14   20   23   29   36   42   47   53   57   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    50_E     L    50_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    51_E     A    51_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    52_E     E    52_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     R    53_E     R    53_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    54_E     L    54_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    55_E     E    55_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    56_E     A    56_E     22   31   83     14   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    57_E     L    57_E     22   31   83     12   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    58_E     K    58_E     22   31   83     12   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     P    59_E     P    59_E     22   31   83      5    8   17   28   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    60_E     K    60_E     22   31   83      5    9   19   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     V    61_E     V    61_E     22   31   83      5   16   23   28   35   40   47   52   54   61   66   71   75   78   80   81   82   82   82   82 
LCS_GDT     S    62_E     S    62_E     20   31   83      6   16   21   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     P    63_E     P    63_E     20   30   83      4   16   21   24   30   42   47   53   57   62   66   71   73   78   80   81   82   82   82   82 
LCS_GDT     E    64_E     E    64_E     20   27   83      4    6   12   23   27   33   39   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     I    65_E     I    65_E     20   27   83      4    8   13   21   30   39   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    66_E     A    66_E     20   27   83      7   16   21   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     V    67_E     V    67_E     20   27   83      7   16   21   24   30   39   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    68_E     L    68_E     20   27   83      7   16   21   24   30   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     V    69_E     V    69_E     20   27   83      7   16   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    70_E     E    70_E     20   27   83      7   16   21   24   30   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    71_E     K    71_E     20   27   83      7   16   21   24   31   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    72_E     A    72_E     20   27   83      8   16   21   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    73_E     A    73_E     20   27   83      8   16   21   24   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     E    74_E     E    74_E     20   27   83     10   16   21   24   31   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     M    75_E     M    75_E     20   27   83      8   16   21   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    76_E     L    76_E     20   27   83      8   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    77_E     K    77_E     20   27   83      8   16   21   24   31   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    78_E     L    78_E     20   27   83      8   16   21   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    79_E     L    79_E     20   27   83      9   20   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    80_E     A    80_E     20   27   83      7   13   21   24   30   40   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     K    81_E     K    81_E     18   27   83      7   13   21   27   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     A    82_E     A    82_E     18   27   83      7   19   23   29   36   42   47   53   58   62   67   71   75   78   80   81   82   82   82   82 
LCS_GDT     L    83_E     L    83_E     18   27   83      7   13   21   22   26   31   37   47   53   56   63   67   71   74   79   81   82   82   82   82 
LCS_AVERAGE  LCS_A:  52.34  (  23.34   33.69  100.00 )

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     14     20     23     29     36     42     47     53     58     62     67     71     75     78     80     81     82     82     82     82 
GDT PERCENT_AT  16.87  24.10  27.71  34.94  43.37  50.60  56.63  63.86  69.88  74.70  80.72  85.54  90.36  93.98  96.39  97.59  98.80  98.80  98.80  98.80
GDT RMS_LOCAL    0.24   0.55   0.77   1.38   1.70   2.07   2.23   2.60   3.01   3.12   3.58   3.68   4.02   4.19   4.32   4.40   4.49   4.49   4.49   4.49
GDT RMS_ALL_AT   9.75   8.76   8.35   7.20   6.76   6.06   6.19   5.62   5.16   5.25   4.82   4.96   4.72   4.71   4.70   4.71   4.69   4.69   4.69   4.69

# Checking swapping
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    14_E      E    14_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    45_E      E    45_E
#   possible swapping detected:  E    55_E      E    55_E
#   possible swapping detected:  E    64_E      E    64_E
#   possible swapping detected:  E    70_E      E    70_E
#   possible swapping detected:  E    74_E      E    74_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E    14.098     0    0.475   1.097    16.247    0.000    0.000
LGA    S     2_E      S     2_E     9.847     0    0.280   0.692    11.860    2.024    1.349
LGA    G     3_E      G     3_E     7.750     0    0.061   0.061     8.345   12.619   12.619
LGA    D     4_E      D     4_E     4.654     0    0.051   0.998     5.750   30.357   28.988
LGA    N     5_E      N     5_E     6.535     0    0.042   0.989     9.688   17.262   10.000
LGA    F     6_E      F     6_E     6.463     0    0.050   0.887    10.104   21.667   10.996
LGA    L     7_E      L     7_E     4.379     0    0.060   1.360     7.031   34.286   29.524
LGA    K     8_E      K     8_E     5.186     0    0.000   0.218     8.698   27.738   18.677
LGA    A     9_E      A     9_E     5.518     0    0.049   0.057     6.264   27.619   25.524
LGA    F    10_E      F    10_E     4.182     0    0.030   1.665    11.534   34.286   17.403
LGA    A    11_E      A    11_E     6.162     0    0.061   0.065     7.451   16.667   16.000
LGA    A    12_E      A    12_E     7.098     0    0.052   0.053     7.611   12.619   11.524
LGA    L    13_E      L    13_E     5.194     0    0.071   1.147     5.563   23.810   31.429
LGA    E    14_E      E    14_E     6.897     0    0.028   1.081     9.637   11.667    7.989
LGA    A    15_E      A    15_E     9.622     0    0.049   0.058    10.506    1.667    1.333
LGA    L    16_E      L    16_E     8.464     0    0.031   1.395    11.550    5.357    3.571
LGA    A    17_E      A    17_E     6.705     0    0.047   0.042     8.200    9.048   10.667
LGA    A    18_E      A    18_E    11.090     0    0.209   0.218    12.906    0.357    0.286
LGA    L    19_E      L    19_E    12.479     0    0.612   1.521    14.445    0.000    0.000
LGA    P    20_E      P    20_E    12.880     0    0.366   0.627    16.323    0.000    0.000
LGA    A    21_E      A    21_E    12.858     0    0.645   0.591    14.842    0.000    0.000
LGA    S    22_E      S    22_E    12.710     0    0.186   0.789    13.668    0.000    0.000
LGA    A    23_E      A    23_E    11.668     0    0.532   0.522    11.767    0.119    0.095
LGA    K    24_E      K    24_E    10.071     0    0.060   0.430    11.065    0.833    0.370
LGA    E    25_E      E    25_E     9.853     0    0.066   0.762    12.891    1.667    0.741
LGA    L    26_E      L    26_E     8.626     0    0.051   1.351    10.633    6.190    5.536
LGA    Q    27_E      Q    27_E     7.450     0    0.048   0.675    10.335   12.976    7.566
LGA    L    28_E      L    28_E     6.387     0    0.078   1.349     9.237   19.524   12.143
LGA    E    29_E      E    29_E     5.359     0    0.028   0.598     6.310   30.595   23.598
LGA    L    30_E      L    30_E     4.373     0    0.057   0.169     6.092   42.262   31.905
LGA    I    31_E      I    31_E     3.445     0    0.052   0.077     5.641   54.286   43.810
LGA    K    32_E      K    32_E     2.975     0    0.076   0.793     8.231   61.190   39.735
LGA    Q    33_E      Q    33_E     0.971     0    0.000   0.863     5.074   88.452   71.693
LGA    F    34_E      F    34_E     1.698     0    0.215   1.634     9.166   83.810   43.636
LGA    M    35_E      M    35_E     1.112     0    0.000   1.177     3.638   81.429   74.643
LGA    A    36_E      A    36_E     1.294     0    0.078   0.086     2.093   79.524   79.905
LGA    E    37_E      E    37_E     1.513     0    0.082   0.865     2.237   77.143   77.725
LGA    A    38_E      A    38_E     0.770     0    0.103   0.103     1.130   88.214   88.667
LGA    M    39_E      M    39_E     2.433     0    0.196   0.921     3.084   62.976   59.226
LGA    K    40_E      K    40_E     3.250     0    0.231   0.693     4.170   48.571   44.974
LGA    I    41_E      I    41_E     2.322     0    0.171   1.160     5.904   68.810   59.464
LGA    G    42_E      G    42_E     1.704     0    0.038   0.038     2.108   70.833   70.833
LGA    N    43_E      N    43_E     2.882     0    0.066   0.381     5.824   59.048   46.190
LGA    K    44_E      K    44_E     3.172     0    0.000   1.010     8.580   50.000   33.757
LGA    E    45_E      E    45_E     4.252     0    0.046   0.178     7.788   41.905   26.455
LGA    G    46_E      G    46_E     3.233     0    0.050   0.050     3.444   53.571   53.571
LGA    L    47_E      L    47_E     1.525     0    0.068   1.088     4.493   72.976   64.821
LGA    L    48_E      L    48_E     2.590     0    0.024   0.111     4.378   59.048   52.083
LGA    L    49_E      L    49_E     3.383     0    0.043   0.176     5.618   53.571   41.310
LGA    L    50_E      L    50_E     2.229     0    0.046   1.406     6.558   68.810   50.119
LGA    A    51_E      A    51_E     1.225     0    0.056   0.055     1.783   81.429   79.714
LGA    E    52_E      E    52_E     2.252     0    0.000   1.088     9.575   70.833   41.587
LGA    R    53_E      R    53_E     2.440     0    0.020   1.363     4.788   64.762   51.429
LGA    L    54_E      L    54_E     2.014     0    0.035   1.436     4.356   68.810   66.429
LGA    E    55_E      E    55_E     1.688     0    0.083   0.604     5.555   79.286   59.312
LGA    A    56_E      A    56_E     1.504     0    0.135   0.146     2.357   75.000   72.952
LGA    L    57_E      L    57_E     2.205     0    0.184   0.176     3.948   67.024   57.738
LGA    K    58_E      K    58_E     2.272     0    0.034   0.527     3.678   59.524   55.926
LGA    P    59_E      P    59_E     3.201     0    0.044   0.618     4.066   50.119   47.279
LGA    K    60_E      K    60_E     3.251     0    0.537   1.019     5.446   50.119   44.762
LGA    V    61_E      V    61_E     4.510     0    0.154   1.137     7.173   45.476   32.925
LGA    S    62_E      S    62_E     1.895     0    0.090   0.524     3.512   73.214   66.825
LGA    P    63_E      P    63_E     2.745     0    0.079   0.385     4.241   55.833   54.626
LGA    E    64_E      E    64_E     4.556     0    0.193   1.069     9.618   36.190   19.947
LGA    I    65_E      I    65_E     3.884     0    0.187   0.546     6.520   54.048   38.036
LGA    A    66_E      A    66_E     1.245     0    0.078   0.082     2.323   75.119   73.048
LGA    V    67_E      V    67_E     3.611     0    0.035   0.104     5.977   51.905   39.524
LGA    L    68_E      L    68_E     2.749     0    0.000   1.355     6.433   65.000   52.619
LGA    V    69_E      V    69_E     1.537     0    0.000   0.057     3.622   77.143   65.578
LGA    E    70_E      E    70_E     3.008     0    0.047   0.806     7.491   57.500   40.212
LGA    K    71_E      K    71_E     2.799     0    0.090   1.051    12.061   65.000   35.979
LGA    A    72_E      A    72_E     1.057     0    0.048   0.046     1.825   83.690   81.524
LGA    A    73_E      A    73_E     2.452     0    0.060   0.058     3.513   67.024   62.286
LGA    E    74_E      E    74_E     2.735     0    0.085   0.137     6.497   66.905   44.709
LGA    M    75_E      M    75_E     1.254     0    0.040   1.323     6.944   83.690   61.012
LGA    L    76_E      L    76_E     2.237     0    0.054   0.154     4.839   68.929   53.988
LGA    K    77_E      K    77_E     2.683     0    0.027   0.455     6.043   64.881   44.921
LGA    L    78_E      L    78_E     1.383     0    0.086   0.241     4.547   83.690   65.536
LGA    L    79_E      L    79_E     2.113     0    0.049   0.275     3.337   65.238   59.405
LGA    A    80_E      A    80_E     3.180     0    0.058   0.058     3.800   55.476   53.048
LGA    K    81_E      K    81_E     1.389     0    0.143   0.730     7.750   77.143   57.725
LGA    A    82_E      A    82_E     2.538     0    0.080   0.083     4.100   52.619   52.095
LGA    L    83_E      L    83_E     5.298     0    0.085   0.125     6.222   29.286   26.012

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     623    623  100.00                83
SUMMARY(RMSD_GDC):     4.679          4.543                  5.292           46.377   38.568

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     53    2.60    55.120    51.902     1.960

LGA_LOCAL      RMSD:   2.604  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.621  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.679  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.876280 * X  +  -0.121534 * Y  +  -0.466223 * Z  + 232.254807
  Y_new =   0.289252 * X  +  -0.906575 * Y  +  -0.307334 * Z  + 140.694458
  Z_new =  -0.385314 * X  +  -0.404167 * Y  +   0.829567 * Z  +  20.094490 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.822763  0.395548 -0.453357   [DEG:  161.7324   22.6633  -25.9754 ]
ZXZ: -0.987980  0.592464 -2.380069   [DEG:  -56.6071   33.9457 -136.3679 ]
 
# END of job
