
#######################################################
#                                                     #
#                        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        4.02     4.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      22_E - 83_E        1.93     4.13
  LCS_AVERAGE:     61.49

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      35_E - 58_E        0.97     5.09
  LONGEST_CONTINUOUS_SEGMENT:    24      36_E - 59_E        0.99     5.30
  LONGEST_CONTINUOUS_SEGMENT:    24      38_E - 61_E        0.99     5.49
  LONGEST_CONTINUOUS_SEGMENT:    24      39_E - 62_E        0.98     5.39
  LCS_AVERAGE:     24.78

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    5   83      3    3    4    4    4    5    7    7    8    9    9    9   14   15   17   18   18   45   59   61 
LCS_GDT     S     2_E     S     2_E      4    5   83      3    3    4    4    4    6    8    8   24   35   41   52   60   73   77   80   81   82   82   82 
LCS_GDT     G     3_E     G     3_E      5   10   83      3    3    5    5   20   25   31   33   51   61   66   75   75   79   81   81   81   82   82   82 
LCS_GDT     D     4_E     D     4_E      5   17   83      3    6    9   30   45   58   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     N     5_E     N     5_E      5   17   83      3    4    5   11   15   16   30   44   55   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     F     6_E     F     6_E     15   17   83      7   12   14   15   15   16   26   42   53   70   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L     7_E     L     7_E     15   17   83      7   17   31   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K     8_E     K     8_E     15   17   83      7   12   14   15   15   36   42   56   59   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A     9_E     A     9_E     15   17   83      7   12   14   15   15   16   16   17   18   54   75   79   80   80   81   81   81   82   82   82 
LCS_GDT     F    10_E     F    10_E     15   17   83      7   12   14   19   30   36   54   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    11_E     A    11_E     15   17   83      7   19   38   49   55   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    12_E     A    12_E     15   17   83      7   12   14   15   15   16   16   17   55   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    13_E     L    13_E     15   17   83      7   12   14   15   15   16   16   39   56   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    14_E     E    14_E     15   17   83      7   12   14   15   29   57   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    15_E     A    15_E     15   17   83      7   12   14   35   50   56   61   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    16_E     L    16_E     15   17   83      7   12   14   15   15   16   43   63   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    17_E     A    17_E     15   17   83      7   12   15   27   34   43   56   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    18_E     A    18_E     15   17   83      5   12   14   15   15   16   45   65   67   73   74   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    19_E     L    19_E     15   37   83      4    5   21   34   48   56   58   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     P    20_E     P    20_E     15   40   83      3    3    9   20   41   51   61   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    21_E     A    21_E     19   40   83      4    4    5   15   27   34   40   56   67   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     S    22_E     S    22_E     21   62   83      4   11   23   28   41   48   59   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    23_E     A    23_E     22   62   83      4   18   30   49   57   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    24_E     K    24_E     22   62   83     13   19   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    25_E     E    25_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    26_E     L    26_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     Q    27_E     Q    27_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    28_E     L    28_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    29_E     E    29_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    30_E     L    30_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     I    31_E     I    31_E     22   62   83     13   26   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    32_E     K    32_E     22   62   83     13   21   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     Q    33_E     Q    33_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     F    34_E     F    34_E     22   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     M    35_E     M    35_E     24   62   83     13   21   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    36_E     A    36_E     24   62   83     13   18   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    37_E     E    37_E     24   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    38_E     A    38_E     24   62   83     11   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     M    39_E     M    39_E     24   62   83     11   21   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    40_E     K    40_E     24   62   83     12   21   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     I    41_E     I    41_E     24   62   83     15   21   37   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     G    42_E     G    42_E     24   62   83     15   21   37   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     N    43_E     N    43_E     24   62   83     15   21   26   45   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    44_E     K    44_E     24   62   83     15   21   26   41   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    45_E     E    45_E     24   62   83     15   21   24   36   52   60   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     G    46_E     G    46_E     24   62   83     15   21   24   41   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    47_E     L    47_E     24   62   83     15   21   29   47   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    48_E     L    48_E     24   62   83     15   21   26   41   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    49_E     L    49_E     24   62   83     15   21   24   41   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    50_E     L    50_E     24   62   83     15   21   28   47   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    51_E     A    51_E     24   62   83     15   21   34   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    52_E     E    52_E     24   62   83     15   21   26   41   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     R    53_E     R    53_E     24   62   83     15   21   24   41   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    54_E     L    54_E     24   62   83     15   21   34   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    55_E     E    55_E     24   62   83     15   21   34   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    56_E     A    56_E     24   62   83     15   21   28   47   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    57_E     L    57_E     24   62   83     10   21   34   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    58_E     K    58_E     24   62   83      7   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     P    59_E     P    59_E     24   62   83      5   15   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    60_E     K    60_E     24   62   83      4   21   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     V    61_E     V    61_E     24   62   83      4   19   37   44   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     S    62_E     S    62_E     24   62   83      4   10   21   35   51   62   65   66   70   73   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     P    63_E     P    63_E     23   62   83      4   21   24   43   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    64_E     E    64_E     23   62   83      4   13   37   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     I    65_E     I    65_E     23   62   83      6   25   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    66_E     A    66_E     23   62   83      7   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     V    67_E     V    67_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    68_E     L    68_E     23   62   83      6   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     V    69_E     V    69_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    70_E     E    70_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    71_E     K    71_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    72_E     A    72_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    73_E     A    73_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    74_E     E    74_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     M    75_E     M    75_E     23   62   83      9   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    76_E     L    76_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    77_E     K    77_E     23   62   83      9   27   38   49   55   62   65   66   70   73   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    78_E     L    78_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    79_E     L    79_E     23   62   83     13   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    80_E     A    80_E     23   62   83      7   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    81_E     K    81_E     23   62   83      6   27   38   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    82_E     A    82_E     23   62   83      4   10   37   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    83_E     L    83_E     23   62   83      3   20   37   49   58   62   65   66   70   75   76   79   80   80   81   81   81   82   82   82 
LCS_AVERAGE  LCS_A:  62.09  (  24.78   61.49  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     15     27     38     49     58     62     65     66     70     75     76     79     80     80     81     81     81     82     82     82 
GDT PERCENT_AT  18.07  32.53  45.78  59.04  69.88  74.70  78.31  79.52  84.34  90.36  91.57  95.18  96.39  96.39  97.59  97.59  97.59  98.80  98.80  98.80
GDT RMS_LOCAL    0.25   0.64   0.91   1.30   1.71   1.79   1.95   2.02   2.24   2.80   2.80   2.96   3.07   3.07   3.24   3.24   3.24   3.50   3.50   3.50
GDT RMS_ALL_AT   5.81   4.71   4.77   4.42   4.14   4.16   4.13   4.12   4.12   4.12   4.13   4.10   4.09   4.09   4.06   4.06   4.06   4.03   4.03   4.03

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   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    74_E      E    74_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E    18.911     0    0.230   1.213    26.661    0.000    0.000
LGA    S     2_E      S     2_E    12.559     0    0.367   0.389    15.160    0.000    0.000
LGA    G     3_E      G     3_E     9.757     0    0.628   0.628    10.313    8.810    8.810
LGA    D     4_E      D     4_E     3.897     0    0.638   1.294     6.055   25.952   36.310
LGA    N     5_E      N     5_E     7.596     0    0.089   1.257    12.114    9.643    4.821
LGA    F     6_E      F     6_E     7.554     0    0.413   1.459    15.025   17.381    6.450
LGA    L     7_E      L     7_E     1.357     0    0.063   1.347     6.139   67.024   50.119
LGA    K     8_E      K     8_E     6.657     0    0.066   0.573    15.185   17.857    8.095
LGA    A     9_E      A     9_E     8.376     0    0.047   0.054    10.383    9.524    7.619
LGA    F    10_E      F    10_E     4.797     0    0.086   1.434    11.055   41.190   19.697
LGA    A    11_E      A    11_E     2.672     0    0.094   0.092     5.142   59.643   52.952
LGA    A    12_E      A    12_E     6.550     0    0.045   0.047     9.139   20.833   16.952
LGA    L    13_E      L    13_E     6.790     0    0.094   0.982    12.475   23.095   11.905
LGA    E    14_E      E    14_E     3.916     0    0.029   1.402    10.941   48.452   25.767
LGA    A    15_E      A    15_E     4.119     0    0.061   0.062     6.489   47.143   41.143
LGA    L    16_E      L    16_E     5.478     0    0.082   0.140    12.291   34.524   18.214
LGA    A    17_E      A    17_E     5.258     0    0.085   0.086     7.158   32.976   28.381
LGA    A    18_E      A    18_E     4.768     0    0.214   0.216     6.664   39.048   33.905
LGA    L    19_E      L    19_E     4.494     0    0.593   1.457    10.205   52.500   29.167
LGA    P    20_E      P    20_E     4.561     0    0.708   0.807     7.922   31.429   23.333
LGA    A    21_E      A    21_E     6.859     0    0.660   0.593     8.822   19.405   16.095
LGA    S    22_E      S    22_E     5.038     0    0.029   0.185     5.612   35.238   32.222
LGA    A    23_E      A    23_E     2.187     0    0.295   0.297     3.311   65.119   63.524
LGA    K    24_E      K    24_E     1.793     0    0.030   1.071     5.285   72.857   60.423
LGA    E    25_E      E    25_E     1.183     0    0.028   1.235     5.586   81.429   60.794
LGA    L    26_E      L    26_E     1.193     0    0.044   0.143     1.779   83.690   81.488
LGA    Q    27_E      Q    27_E     1.103     0    0.022   1.056     3.389   81.429   77.937
LGA    L    28_E      L    28_E     1.050     0    0.051   0.905     4.239   83.690   70.952
LGA    E    29_E      E    29_E     0.974     0    0.040   0.654     1.862   88.214   81.587
LGA    L    30_E      L    30_E     0.857     0    0.063   0.099     0.968   90.476   92.857
LGA    I    31_E      I    31_E     1.456     0    0.030   1.175     2.931   77.143   72.024
LGA    K    32_E      K    32_E     1.759     0    0.046   0.833     4.550   70.833   64.815
LGA    Q    33_E      Q    33_E     1.591     0    0.037   1.015     3.611   72.857   63.545
LGA    F    34_E      F    34_E     1.427     0    0.031   1.245     5.971   77.143   59.697
LGA    M    35_E      M    35_E     1.837     0    0.062   1.220     4.322   68.810   65.714
LGA    A    36_E      A    36_E     2.320     0    0.043   0.049     2.782   62.857   63.238
LGA    E    37_E      E    37_E     2.064     0    0.037   1.142     5.980   64.762   48.360
LGA    A    38_E      A    38_E     2.025     0    0.131   0.128     2.138   68.810   68.000
LGA    M    39_E      M    39_E     2.308     0    0.155   0.761     2.800   64.762   62.857
LGA    K    40_E      K    40_E     1.542     0    0.147   0.942     2.093   77.143   74.921
LGA    I    41_E      I    41_E     0.577     0    0.590   1.637     3.661   76.429   75.952
LGA    G    42_E      G    42_E     0.975     0    0.046   0.046     2.213   79.643   79.643
LGA    N    43_E      N    43_E     2.134     0    0.040   0.769     4.524   66.786   60.655
LGA    K    44_E      K    44_E     3.124     0    0.035   1.093     9.423   51.786   36.402
LGA    E    45_E      E    45_E     3.840     0    0.041   1.029     4.686   46.667   45.291
LGA    G    46_E      G    46_E     2.424     0    0.034   0.034     2.817   66.905   66.905
LGA    L    47_E      L    47_E     1.343     0    0.038   0.051     1.962   77.143   78.274
LGA    L    48_E      L    48_E     2.504     0    0.037   0.968     4.543   62.857   53.274
LGA    L    49_E      L    49_E     2.676     0    0.050   1.026     6.816   60.952   43.214
LGA    L    50_E      L    50_E     1.439     0    0.065   1.322     4.906   79.286   68.274
LGA    A    51_E      A    51_E     1.150     0    0.038   0.049     1.593   79.286   78.000
LGA    E    52_E      E    52_E     2.477     0    0.047   1.575     9.520   64.762   37.619
LGA    R    53_E      R    53_E     2.299     0    0.049   0.889     3.727   68.810   61.732
LGA    L    54_E      L    54_E     1.011     0    0.054   1.154     3.064   85.952   79.940
LGA    E    55_E      E    55_E     0.865     0    0.073   0.335     3.862   88.214   73.757
LGA    A    56_E      A    56_E     1.557     0    0.140   0.139     2.269   77.143   74.667
LGA    L    57_E      L    57_E     1.330     0    0.164   0.889     5.393   85.952   67.262
LGA    K    58_E      K    58_E     0.687     0    0.077   0.941     2.471   85.952   81.640
LGA    P    59_E      P    59_E     2.103     0    0.035   0.277     2.939   64.881   62.653
LGA    K    60_E      K    60_E     2.374     0    0.177   0.702     4.141   57.976   60.106
LGA    V    61_E      V    61_E     2.531     0    0.048   0.218     3.061   57.262   64.218
LGA    S    62_E      S    62_E     3.475     0    0.100   0.743     3.989   57.500   52.778
LGA    P    63_E      P    63_E     2.680     0    0.116   0.404     4.427   60.952   52.517
LGA    E    64_E      E    64_E     1.502     0    0.168   0.534     2.113   75.000   72.910
LGA    I    65_E      I    65_E     0.955     0    0.219   1.487     3.694   97.619   79.524
LGA    A    66_E      A    66_E     0.790     0    0.051   0.051     1.514   86.190   85.238
LGA    V    67_E      V    67_E     1.746     0    0.052   0.122     2.851   75.000   68.435
LGA    L    68_E      L    68_E     1.045     0    0.067   0.137     1.939   85.952   81.548
LGA    V    69_E      V    69_E     0.722     0    0.021   1.230     3.107   85.952   78.435
LGA    E    70_E      E    70_E     1.512     0    0.040   0.627     3.312   75.000   66.085
LGA    K    71_E      K    71_E     1.713     0    0.100   0.993     7.237   77.143   54.868
LGA    A    72_E      A    72_E     1.144     0    0.054   0.054     1.834   77.143   79.810
LGA    A    73_E      A    73_E     1.763     0    0.037   0.056     2.071   70.833   71.238
LGA    E    74_E      E    74_E     2.070     0    0.086   1.256     3.966   70.833   59.418
LGA    M    75_E      M    75_E     1.570     0    0.029   1.608     6.181   72.857   63.036
LGA    L    76_E      L    76_E     1.817     0    0.037   0.890     2.832   68.810   65.893
LGA    K    77_E      K    77_E     2.652     0    0.037   1.115     3.384   62.857   59.894
LGA    L    78_E      L    78_E     2.003     0    0.076   1.242     3.013   70.952   65.060
LGA    L    79_E      L    79_E     1.327     0    0.044   1.226     2.742   79.286   76.369
LGA    A    80_E      A    80_E     1.931     0    0.072   0.071     2.586   72.857   69.714
LGA    K    81_E      K    81_E     1.792     0    0.133   1.081     3.187   77.143   66.931
LGA    A    82_E      A    82_E     1.378     0    0.667   0.638     3.243   73.571   73.429
LGA    L    83_E      L    83_E     0.746     0    0.151   0.274     7.129   62.024   46.607

# 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):     4.016          3.774                  4.834           61.612   54.746

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     66    2.02    67.169    70.250     3.118

LGA_LOCAL      RMSD:   2.017  Number of atoms:   66  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.122  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.016  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.247171 * X  +  -0.840524 * Y  +   0.482106 * Z  +  -6.239495
  Y_new =  -0.457487 * X  +   0.337369 * Y  +   0.822732 * Z  + -52.986198
  Z_new =  -0.854173 * X  +  -0.423913 * Y  +  -0.301141 * Z  + -36.212311 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.075447  1.023959 -2.188458   [DEG:  -61.6186   58.6685 -125.3894 ]
ZXZ:  2.611544  1.876686 -2.031467   [DEG:  149.6305  107.5262 -116.3945 ]
 
# END of job
