
#######################################################
#                                                     #
#                        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        3.99     3.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      22_E - 83_E        1.95     4.10
  LCS_AVERAGE:     61.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      59_E - 83_E        0.99     4.89
  LCS_AVERAGE:     24.44

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      4    4   83      3    4    4    4    5    6    7    7    7    9    9   10   10   11   12   12   14   40   45   63 
LCS_GDT     S     2_E     S     2_E      4    4   83      3    4    4    4    4    6    7    8    8   33   41   52   64   73   76   79   81   82   82   82 
LCS_GDT     G     3_E     G     3_E      5   15   83      5    5   13   21   25   29   37   51   58   67   70   73   78   81   81   81   81   82   82   82 
LCS_GDT     D     4_E     D     4_E      5   17   83      5   10   27   44   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     N     5_E     N     5_E      5   17   83      5    5    5   12   15   16   26   44   56   66   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     F     6_E     F     6_E     15   17   83      5   12   14   15   15   16   33   45   55   70   75   79   80   81   81   81   81   82   82   82 
LCS_GDT     L     7_E     L     7_E     15   17   83      9   17   35   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K     8_E     K     8_E     15   17   83      9   12   14   15   15   34   40   55   60   70   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A     9_E     A     9_E     15   17   83      9   12   14   15   15   16   17   17   18   55   72   79   80   81   81   81   81   82   82   82 
LCS_GDT     F    10_E     F    10_E     15   17   83      7   12   14   15   31   46   57   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    11_E     A    11_E     15   17   83      8   28   37   47   56   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    12_E     A    12_E     15   17   83      9   12   14   15   15   16   17   17   55   70   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    13_E     L    13_E     15   17   83      9   12   14   15   15   16   17   44   57   72   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    14_E     E    14_E     15   17   83      9   12   14   15   37   57   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    15_E     A    15_E     15   17   83      9   12   27   42   51   56   61   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    16_E     L    16_E     15   17   83      9   12   14   15   15   16   38   63   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    17_E     A    17_E     15   17   83      9   12   14   27   37   46   58   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    18_E     A    18_E     15   17   83      6   12   14   15   15   16   49   55   68   73   75   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    19_E     L    19_E     15   34   83      4    7   27   33   48   56   60   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     P    20_E     P    20_E     15   39   83      3    3    8   28   42   53   63   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    21_E     A    21_E      5   39   83      3    4    5   16   28   31   41   51   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     S    22_E     S    22_E     20   62   83      3    7   19   27   42   53   60   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    23_E     A    23_E     20   62   83      7   17   27   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    24_E     K    24_E     20   62   83     12   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    25_E     E    25_E     20   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    26_E     L    26_E     20   62   83     12   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     Q    27_E     Q    27_E     20   62   83     12   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    28_E     L    28_E     20   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    29_E     E    29_E     20   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    30_E     L    30_E     20   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     I    31_E     I    31_E     20   62   83     12   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    32_E     K    32_E     20   62   83     12   25   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     Q    33_E     Q    33_E     20   62   83     13   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     F    34_E     F    34_E     20   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     M    35_E     M    35_E     20   62   83     12   23   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    36_E     A    36_E     20   62   83     11   18   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    37_E     E    37_E     23   62   83     13   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    38_E     A    38_E     23   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     M    39_E     M    39_E     23   62   83     11   19   35   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    40_E     K    40_E     23   62   83      5   19   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     I    41_E     I    41_E     23   62   83     11   19   36   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     G    42_E     G    42_E     23   62   83      3   19   36   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     N    43_E     N    43_E     23   62   83     13   19   24   39   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    44_E     K    44_E     23   62   83     13   19   24   41   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    45_E     E    45_E     23   62   83     13   19   24   39   54   62   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     G    46_E     G    46_E     23   62   83     12   19   24   41   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    47_E     L    47_E     23   62   83     13   19   27   46   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    48_E     L    48_E     23   62   83     13   19   25   41   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    49_E     L    49_E     23   62   83     13   19   24   41   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    50_E     L    50_E     23   62   83     13   19   27   46   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    51_E     A    51_E     23   62   83     13   19   33   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    52_E     E    52_E     23   62   83     13   19   25   41   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     R    53_E     R    53_E     23   62   83     13   19   24   41   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    54_E     L    54_E     23   62   83     13   19   35   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    55_E     E    55_E     23   62   83     13   19   35   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    56_E     A    56_E     23   62   83     13   19   27   46   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    57_E     L    57_E     23   62   83     11   19   31   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    58_E     K    58_E     23   62   83     10   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     P    59_E     P    59_E     25   62   83      7   23   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    60_E     K    60_E     25   62   83      7   25   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     V    61_E     V    61_E     25   62   83      4   11   36   46   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     S    62_E     S    62_E     25   62   83      4   12   23   44   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     P    63_E     P    63_E     25   62   83      4   19   24   46   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    64_E     E    64_E     25   62   83      4   10   36   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     I    65_E     I    65_E     25   62   83      9   18   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    66_E     A    66_E     25   62   83      9   27   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     V    67_E     V    67_E     25   62   83     13   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    68_E     L    68_E     25   62   83      9   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     V    69_E     V    69_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    70_E     E    70_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    71_E     K    71_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    72_E     A    72_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    73_E     A    73_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     E    74_E     E    74_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     M    75_E     M    75_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    76_E     L    76_E     25   62   83     14   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    77_E     K    77_E     25   62   83     13   28   37   47   56   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    78_E     L    78_E     25   62   83     10   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    79_E     L    79_E     25   62   83      6   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    80_E     A    80_E     25   62   83     13   28   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     K    81_E     K    81_E     25   62   83      8   27   37   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     A    82_E     A    82_E     25   62   83      3   10   36   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_GDT     L    83_E     L    83_E     25   62   83      3   19   36   47   58   63   65   68   70   73   76   79   80   81   81   81   81   82   82   82 
LCS_AVERAGE  LCS_A:  61.97  (  24.44   61.46  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     28     37     47     58     63     65     68     70     73     76     79     80     81     81     81     81     82     82     82 
GDT PERCENT_AT  16.87  33.73  44.58  56.63  69.88  75.90  78.31  81.93  84.34  87.95  91.57  95.18  96.39  97.59  97.59  97.59  97.59  98.80  98.80  98.80
GDT RMS_LOCAL    0.38   0.66   0.89   1.24   1.72   1.82   1.91   2.06   2.19   2.38   2.69   2.96   3.07   3.21   3.21   3.21   3.21   3.46   3.46   3.46
GDT RMS_ALL_AT   4.86   4.72   4.71   4.43   4.11   4.12   4.11   4.12   4.11   4.12   4.11   4.07   4.07   4.04   4.04   4.04   4.04   4.01   4.01   4.01

# Checking swapping
#   possible swapping detected:  F     6_E      F     6_E
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    14_E      E    14_E
#   possible swapping detected:  E    29_E      E    29_E
#   possible swapping detected:  E    45_E      E    45_E
#   possible swapping detected:  E    52_E      E    52_E
#   possible swapping detected:  E    64_E      E    64_E
#   possible swapping detected:  E    70_E      E    70_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E    19.251     0    0.153   0.365    25.696    0.000    0.000
LGA    S     2_E      S     2_E    12.568     0    0.313   0.705    15.258    0.000    0.000
LGA    G     3_E      G     3_E     8.966     0    0.668   0.668     9.948   14.048   14.048
LGA    D     4_E      D     4_E     2.101     0    0.131   1.305     4.717   49.048   57.083
LGA    N     5_E      N     5_E     8.047     0    0.078   0.584    12.585    9.524    4.762
LGA    F     6_E      F     6_E     7.679     0    0.446   1.529    14.962   16.667    6.190
LGA    L     7_E      L     7_E     1.116     0    0.097   1.318     5.024   69.048   55.238
LGA    K     8_E      K     8_E     6.560     0    0.052   0.937    12.276   17.857    8.095
LGA    A     9_E      A     9_E     8.552     0    0.048   0.051    10.629    9.048    7.238
LGA    F    10_E      F    10_E     4.946     0    0.070   1.417    10.787   41.190   19.957
LGA    A    11_E      A    11_E     2.401     0    0.088   0.086     4.918   63.333   56.952
LGA    A    12_E      A    12_E     6.434     0    0.062   0.061     9.071   22.857   18.571
LGA    L    13_E      L    13_E     6.807     0    0.079   0.991    12.305   23.095   11.905
LGA    E    14_E      E    14_E     4.037     0    0.034   1.204    10.143   45.238   26.984
LGA    A    15_E      A    15_E     3.843     0    0.075   0.076     6.197   50.357   43.714
LGA    L    16_E      L    16_E     5.271     0    0.054   0.967    12.368   34.524   18.214
LGA    A    17_E      A    17_E     5.520     0    0.085   0.086     7.431   30.476   26.381
LGA    A    18_E      A    18_E     4.881     0    0.208   0.209     6.668   37.381   32.571
LGA    L    19_E      L    19_E     3.948     0    0.592   1.467     9.660   59.762   33.869
LGA    P    20_E      P    20_E     4.136     0    0.711   0.804     7.274   37.143   28.163
LGA    A    21_E      A    21_E     6.998     0    0.659   0.592     9.048   18.333   14.952
LGA    S    22_E      S    22_E     5.101     0    0.042   0.718     5.743   35.238   31.429
LGA    A    23_E      A    23_E     2.288     0    0.331   0.340     3.392   65.119   62.095
LGA    K    24_E      K    24_E     1.587     0    0.036   0.704     3.595   77.143   65.450
LGA    E    25_E      E    25_E     1.337     0    0.030   1.184     4.811   81.429   66.243
LGA    L    26_E      L    26_E     1.254     0    0.044   1.406     3.027   83.690   75.595
LGA    Q    27_E      Q    27_E     0.817     0    0.034   0.976     2.920   90.476   82.804
LGA    L    28_E      L    28_E     0.811     0    0.063   0.928     3.523   88.214   80.119
LGA    E    29_E      E    29_E     1.032     0    0.048   0.638     1.310   85.952   87.460
LGA    L    30_E      L    30_E     0.799     0    0.067   0.077     0.830   90.476   91.667
LGA    I    31_E      I    31_E     1.153     0    0.024   1.240     3.562   81.548   74.583
LGA    K    32_E      K    32_E     1.667     0    0.034   0.909     3.545   72.976   64.550
LGA    Q    33_E      Q    33_E     1.543     0    0.039   0.545     2.446   72.857   74.868
LGA    F    34_E      F    34_E     1.462     0    0.039   1.316     6.501   77.143   57.013
LGA    M    35_E      M    35_E     1.714     0    0.058   0.907     2.857   70.833   69.940
LGA    A    36_E      A    36_E     2.178     0    0.046   0.049     2.671   64.881   64.857
LGA    E    37_E      E    37_E     1.974     0    0.036   0.387     3.389   72.857   64.233
LGA    A    38_E      A    38_E     1.941     0    0.125   0.123     1.963   72.857   72.857
LGA    M    39_E      M    39_E     2.471     0    0.123   0.938     3.197   64.762   61.012
LGA    K    40_E      K    40_E     1.712     0    0.188   1.258     5.120   75.000   67.989
LGA    I    41_E      I    41_E     0.673     0    0.592   1.643     3.853   80.476   75.119
LGA    G    42_E      G    42_E     1.074     0    0.062   0.062     2.521   73.214   73.214
LGA    N    43_E      N    43_E     3.037     0    0.641   0.555     6.335   54.048   43.155
LGA    K    44_E      K    44_E     3.328     0    0.187   1.047     8.708   50.000   34.497
LGA    E    45_E      E    45_E     3.895     0    0.040   0.642     6.334   46.667   36.720
LGA    G    46_E      G    46_E     2.791     0    0.043   0.043     3.138   61.190   61.190
LGA    L    47_E      L    47_E     1.713     0    0.029   1.419     3.478   70.833   65.119
LGA    L    48_E      L    48_E     2.824     0    0.051   0.981     7.203   57.143   40.655
LGA    L    49_E      L    49_E     3.042     0    0.024   0.990     7.150   55.357   39.167
LGA    L    50_E      L    50_E     1.726     0    0.044   1.016     3.882   75.119   71.429
LGA    A    51_E      A    51_E     1.225     0    0.039   0.050     1.666   79.286   78.000
LGA    E    52_E      E    52_E     2.627     0    0.038   1.562     9.823   62.857   35.873
LGA    R    53_E      R    53_E     2.541     0    0.061   1.670     8.897   66.905   37.619
LGA    L    54_E      L    54_E     1.171     0    0.058   1.423     3.337   83.810   76.667
LGA    E    55_E      E    55_E     1.109     0    0.053   0.619     4.513   81.429   70.317
LGA    A    56_E      A    56_E     2.004     0    0.145   0.144     2.795   70.833   68.095
LGA    L    57_E      L    57_E     1.658     0    0.160   0.190     2.554   77.143   71.012
LGA    K    58_E      K    58_E     0.694     0    0.088   0.488     2.361   90.476   84.656
LGA    P    59_E      P    59_E     1.910     0    0.029   0.233     2.793   70.952   67.211
LGA    K    60_E      K    60_E     2.152     0    0.174   0.889     5.395   59.524   55.926
LGA    V    61_E      V    61_E     2.282     0    0.050   0.167     2.640   62.976   68.571
LGA    S    62_E      S    62_E     2.984     0    0.100   0.729     3.311   62.976   58.651
LGA    P    63_E      P    63_E     2.379     0    0.075   0.381     3.967   64.881   57.551
LGA    E    64_E      E    64_E     1.371     0    0.201   0.779     4.396   77.143   62.646
LGA    I    65_E      I    65_E     1.178     0    0.233   1.499     4.178   90.595   78.393
LGA    A    66_E      A    66_E     0.680     0    0.072   0.070     1.126   88.214   86.857
LGA    V    67_E      V    67_E     1.160     0    0.040   0.139     1.944   83.690   79.048
LGA    L    68_E      L    68_E     0.786     0    0.061   0.124     1.830   90.476   84.940
LGA    V    69_E      V    69_E     0.747     0    0.029   0.149     1.330   88.333   87.959
LGA    E    70_E      E    70_E     1.449     0    0.047   0.265     3.229   77.143   67.831
LGA    K    71_E      K    71_E     1.585     0    0.090   1.124     4.839   79.286   62.751
LGA    A    72_E      A    72_E     1.011     0    0.041   0.042     1.663   79.286   81.524
LGA    A    73_E      A    73_E     1.724     0    0.038   0.056     2.006   72.976   72.952
LGA    E    74_E      E    74_E     2.058     0    0.082   0.949     2.689   70.833   65.767
LGA    M    75_E      M    75_E     1.603     0    0.033   0.903     3.036   72.857   70.000
LGA    L    76_E      L    76_E     1.771     0    0.034   0.076     2.139   68.810   70.893
LGA    K    77_E      K    77_E     2.617     0    0.039   0.954     5.949   62.857   44.074
LGA    L    78_E      L    78_E     1.897     0    0.065   1.246     3.092   75.119   66.190
LGA    L    79_E      L    79_E     0.897     0    0.041   1.245     3.867   85.952   75.774
LGA    A    80_E      A    80_E     1.861     0    0.085   0.084     2.604   75.000   71.429
LGA    K    81_E      K    81_E     1.543     0    0.112   0.781     8.267   77.143   49.947
LGA    A    82_E      A    82_E     1.329     0    0.648   0.625     3.151   73.571   73.429
LGA    L    83_E      L    83_E     1.348     0    0.339   0.396     7.141   57.262   43.988

# 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):     3.995          3.741                  4.803           62.374   55.018

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     68    2.06    67.470    70.205     3.148

LGA_LOCAL      RMSD:   2.060  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.117  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   3.995  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.274199 * X  +  -0.790647 * Y  +   0.547442 * Z  +  -9.002102
  Y_new =  -0.419310 * X  +   0.414004 * Y  +   0.807948 * Z  + -56.104210
  Z_new =  -0.865445 * X  +  -0.451086 * Y  +  -0.218007 * Z  + -35.136436 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.991665  1.046037 -2.020989   [DEG:  -56.8182   59.9335 -115.7942 ]
ZXZ:  2.546079  1.790568 -2.051275   [DEG:  145.8796  102.5920 -117.5294 ]
 
# END of job
