
#######################################################
#                                                     #
#                        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        4.00     4.00
  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     4.11
  LCS_AVERAGE:     61.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      38_E - 61_E        0.98     5.56
  LONGEST_CONTINUOUS_SEGMENT:    24      39_E - 62_E        0.96     5.45
  LONGEST_CONTINUOUS_SEGMENT:    24      60_E - 83_E        0.97     5.28
  LCS_AVERAGE:     24.74

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    3    4    4    4    6    7    7    7    9    9    9   11   12   17   19   29   50   53   61 
LCS_GDT     S     2_E     S     2_E      4    4   83      3    3    4    4    5    7    7    8   25   32   40   54   63   74   76   79   81   82   82   82 
LCS_GDT     G     3_E     G     3_E      5   17   83      3    5    5    7   22   27   32   44   57   65   69   74   78   80   81   81   81   82   82   82 
LCS_GDT     D     4_E     D     4_E      5   17   83      3    8   20   40   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     N     5_E     N     5_E     13   17   83      3    5    9   14   15   16   32   43   56   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     F     6_E     F     6_E     15   17   83      5   12   14   15   15   16   31   44   54   69   75   79   80   80   81   81   81   82   82   82 
LCS_GDT     L     7_E     L     7_E     15   17   83      8   18   31   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K     8_E     K     8_E     15   17   83      8   12   14   15   15   16   17   55   64   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A     9_E     A     9_E     15   17   83      8   12   14   15   15   16   17   17   18   54   70   79   80   80   81   81   81   82   82   82 
LCS_GDT     F    10_E     F    10_E     15   17   83      6   12   14   15   30   43   56   66   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    11_E     A    11_E     15   17   83     14   31   37   47   55   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    12_E     A    12_E     15   17   83      8   12   14   15   15   16   17   17   56   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    13_E     L    13_E     15   17   83      8   12   14   15   15   16   17   44   56   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    14_E     E    14_E     15   17   83      8   12   14   15   38   58   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    15_E     A    15_E     15   17   83      8   12   14   39   49   55   61   66   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    16_E     L    16_E     15   17   83      8   12   14   15   15   16   39   63   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    17_E     A    17_E     15   17   83      7   12   14   29   35   46   58   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    18_E     A    18_E     15   17   83      6   12   14   15   15   16   54   60   69   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    19_E     L    19_E     15   37   83      4    9   25   31   48   55   61   66   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     P    20_E     P    20_E     15   39   83      3    3    8   24   40   52   61   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    21_E     A    21_E      4   39   83      3    4    5   16   27   32   41   55   68   73   76   79   80   80   81   81   81   82   82   82 
LCS_GDT     S    22_E     S    22_E     21   62   83      3    7   22   29   40   51   60   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    23_E     A    23_E     21   62   83     11   18   37   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    24_E     K    24_E     21   62   83     11   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    25_E     E    25_E     21   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    26_E     L    26_E     21   62   83     12   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     Q    27_E     Q    27_E     21   62   83     12   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    28_E     L    28_E     21   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    29_E     E    29_E     21   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    30_E     L    30_E     21   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     I    31_E     I    31_E     21   62   83     12   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    32_E     K    32_E     21   62   83     12   27   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     Q    33_E     Q    33_E     21   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     F    34_E     F    34_E     21   62   83     14   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     M    35_E     M    35_E     21   62   83     12   22   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    36_E     A    36_E     23   62   83     12   18   26   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    37_E     E    37_E     23   62   83     12   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    38_E     A    38_E     24   62   83     12   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     M    39_E     M    39_E     24   62   83     11   20   37   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    40_E     K    40_E     24   62   83      9   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     I    41_E     I    41_E     24   62   83     14   20   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     G    42_E     G    42_E     24   62   83      6   20   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     N    43_E     N    43_E     24   62   83     11   20   26   45   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    44_E     K    44_E     24   62   83     14   20   24   42   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    45_E     E    45_E     24   62   83     14   20   24   36   52   60   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     G    46_E     G    46_E     24   62   83     14   20   24   42   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    47_E     L    47_E     24   62   83     14   20   29   46   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    48_E     L    48_E     24   62   83     14   20   26   42   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    49_E     L    49_E     24   62   83     14   20   24   42   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    50_E     L    50_E     24   62   83     14   20   30   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    51_E     A    51_E     24   62   83     14   20   31   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    52_E     E    52_E     24   62   83     14   20   26   42   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     R    53_E     R    53_E     24   62   83     14   20   24   42   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    54_E     L    54_E     24   62   83     14   20   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    55_E     E    55_E     24   62   83     14   20   36   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    56_E     A    56_E     24   62   83     14   20   30   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    57_E     L    57_E     24   62   83     13   20   36   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    58_E     K    58_E     24   62   83      5   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     P    59_E     P    59_E     24   62   83      5   19   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    60_E     K    60_E     24   62   83      6   25   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     V    61_E     V    61_E     24   62   83      5   21   37   46   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     S    62_E     S    62_E     24   62   83      4   12   23   39   52   63   65   66   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     P    63_E     P    63_E     24   62   83      4   20   24   40   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    64_E     E    64_E     24   62   83      4    8   27   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     I    65_E     I    65_E     24   62   83      9   27   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    66_E     A    66_E     24   62   83      9   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     V    67_E     V    67_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    68_E     L    68_E     24   62   83     14   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     V    69_E     V    69_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    70_E     E    70_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    71_E     K    71_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    72_E     A    72_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    73_E     A    73_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     E    74_E     E    74_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     M    75_E     M    75_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    76_E     L    76_E     24   62   83     15   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    77_E     K    77_E     24   62   83     15   31   38   47   55   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    78_E     L    78_E     24   62   83     10   31   38   47   56   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    79_E     L    79_E     24   62   83      8   31   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     A    80_E     A    80_E     24   62   83     14   31   38   47   56   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     K    81_E     K    81_E     24   62   83      7   31   38   47   55   63   65   67   70   73   77   78   80   80   81   81   81   82   82   82 
LCS_GDT     A    82_E     A    82_E     24   62   83      4   12   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_GDT     L    83_E     L    83_E     24   62   83      3   16   38   47   57   63   65   67   70   73   77   79   80   80   81   81   81   82   82   82 
LCS_AVERAGE  LCS_A:  62.09  (  24.74   61.53  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     31     38     47     57     63     65     67     70     73     77     79     80     80     81     81     81     82     82     82 
GDT PERCENT_AT  18.07  37.35  45.78  56.63  68.67  75.90  78.31  80.72  84.34  87.95  92.77  95.18  96.39  96.39  97.59  97.59  97.59  98.80  98.80  98.80
GDT RMS_LOCAL    0.35   0.67   0.95   1.18   1.71   1.82   1.92   2.10   2.22   2.40   2.78   3.07   3.06   3.06   3.22   3.22   3.22   3.48   3.48   3.48
GDT RMS_ALL_AT   4.79   4.66   4.55   4.48   4.09   4.13   4.11   4.12   4.11   4.12   4.09   4.07   4.08   4.08   4.04   4.04   4.04   4.01   4.01   4.01

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    25_E      E    25_E
#   possible swapping detected:  E    29_E      E    29_E
#   possible swapping detected:  F    34_E      F    34_E
#   possible swapping detected:  E    45_E      E    45_E
#   possible swapping detected:  E    52_E      E    52_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E    19.254     0    0.097   0.662    25.803    0.000    0.000
LGA    S     2_E      S     2_E    12.865     0    0.338   0.360    15.480    0.000    0.000
LGA    G     3_E      G     3_E     9.334     0    0.648   0.648    10.250   11.190   11.190
LGA    D     4_E      D     4_E     2.797     0    0.644   0.796     5.556   35.476   47.500
LGA    N     5_E      N     5_E     7.699     0    0.048   1.197    12.754   10.833    5.417
LGA    F     6_E      F     6_E     7.834     0    0.307   1.332    15.064   17.381    6.450
LGA    L     7_E      L     7_E     0.968     0    0.053   1.362     6.139   71.548   54.702
LGA    K     8_E      K     8_E     6.549     0    0.057   0.975    12.952   19.286    8.730
LGA    A     9_E      A     9_E     8.518     0    0.052   0.056    10.524    9.048    7.238
LGA    F    10_E      F    10_E     4.665     0    0.045   1.308    10.668   44.881   21.645
LGA    A    11_E      A    11_E     2.658     0    0.108   0.106     5.210   59.643   52.952
LGA    A    12_E      A    12_E     6.678     0    0.048   0.048     9.292   21.905   17.810
LGA    L    13_E      L    13_E     6.514     0    0.085   0.823    12.595   24.405   12.798
LGA    E    14_E      E    14_E     3.560     0    0.038   1.061     8.863   52.024   30.582
LGA    A    15_E      A    15_E     4.302     0    0.064   0.062     6.717   45.595   39.143
LGA    L    16_E      L    16_E     5.364     0    0.068   1.188    10.809   35.952   18.929
LGA    A    17_E      A    17_E     4.671     0    0.073   0.072     6.629   38.810   33.714
LGA    A    18_E      A    18_E     4.653     0    0.206   0.210     6.668   37.738   32.857
LGA    L    19_E      L    19_E     4.669     0    0.594   1.455    10.512   49.048   26.964
LGA    P    20_E      P    20_E     4.176     0    0.708   0.801     7.649   37.143   27.211
LGA    A    21_E      A    21_E     6.276     0    0.653   0.586     8.246   23.929   20.095
LGA    S    22_E      S    22_E     4.590     0    0.061   0.729     5.081   41.190   37.063
LGA    A    23_E      A    23_E     1.387     0    0.342   0.353     2.607   75.357   73.238
LGA    K    24_E      K    24_E     1.123     0    0.040   0.912     4.157   81.429   68.571
LGA    E    25_E      E    25_E     1.145     0    0.033   0.791     3.130   81.429   73.280
LGA    L    26_E      L    26_E     1.045     0    0.045   0.134     1.898   85.952   81.548
LGA    Q    27_E      Q    27_E     0.662     0    0.038   1.215     4.341   90.476   76.190
LGA    L    28_E      L    28_E     0.956     0    0.046   0.994     3.580   85.952   76.905
LGA    E    29_E      E    29_E     1.145     0    0.064   0.666     1.577   81.429   81.481
LGA    L    30_E      L    30_E     1.145     0    0.056   0.860     2.692   81.429   78.393
LGA    I    31_E      I    31_E     1.453     0    0.028   1.182     2.782   77.143   73.095
LGA    K    32_E      K    32_E     1.690     0    0.071   0.716     2.317   70.833   71.111
LGA    Q    33_E      Q    33_E     1.493     0    0.034   0.863     4.972   77.143   62.011
LGA    F    34_E      F    34_E     1.388     0    0.070   1.150     5.256   77.143   61.775
LGA    M    35_E      M    35_E     1.934     0    0.058   0.919     3.502   68.810   68.333
LGA    A    36_E      A    36_E     2.383     0    0.033   0.042     2.771   62.857   63.238
LGA    E    37_E      E    37_E     1.992     0    0.043   0.385     2.577   70.833   67.513
LGA    A    38_E      A    38_E     1.949     0    0.114   0.112     2.041   72.857   71.238
LGA    M    39_E      M    39_E     1.967     0    0.157   1.070     2.543   68.810   67.857
LGA    K    40_E      K    40_E     1.306     0    0.190   0.709     2.142   83.690   77.778
LGA    I    41_E      I    41_E     0.597     0    0.593   1.492     3.434   80.476   77.917
LGA    G    42_E      G    42_E     1.022     0    0.045   0.045     2.055   77.262   77.262
LGA    N    43_E      N    43_E     2.256     0    0.057   0.481     4.576   66.786   57.857
LGA    K    44_E      K    44_E     3.257     0    0.038   1.175     8.120   51.786   37.249
LGA    E    45_E      E    45_E     4.045     0    0.058   1.065     5.212   45.119   42.434
LGA    G    46_E      G    46_E     2.657     0    0.033   0.033     3.051   61.190   61.190
LGA    L    47_E      L    47_E     1.517     0    0.033   1.148     4.691   75.000   65.774
LGA    L    48_E      L    48_E     2.648     0    0.041   0.177     4.624   62.857   50.833
LGA    L    49_E      L    49_E     2.801     0    0.033   0.989     6.988   60.952   43.214
LGA    L    50_E      L    50_E     1.399     0    0.069   1.341     5.095   81.548   66.726
LGA    A    51_E      A    51_E     1.050     0    0.041   0.050     1.464   81.429   81.429
LGA    E    52_E      E    52_E     2.242     0    0.049   1.558     9.037   70.833   41.217
LGA    R    53_E      R    53_E     2.103     0    0.050   0.911     3.476   68.810   65.931
LGA    L    54_E      L    54_E     0.870     0    0.064   1.352     3.825   88.214   78.036
LGA    E    55_E      E    55_E     0.673     0    0.059   1.137     3.074   90.476   73.069
LGA    A    56_E      A    56_E     1.485     0    0.145   0.144     2.304   79.286   76.381
LGA    L    57_E      L    57_E     1.476     0    0.170   0.221     2.968   81.429   72.202
LGA    K    58_E      K    58_E     1.072     0    0.109   0.898     1.862   79.405   78.677
LGA    P    59_E      P    59_E     2.613     0    0.033   0.173     3.298   59.286   57.415
LGA    K    60_E      K    60_E     2.969     0    0.135   1.039     6.451   52.262   47.672
LGA    V    61_E      V    61_E     2.827     0    0.028   0.105     3.429   53.571   60.748
LGA    S    62_E      S    62_E     3.910     0    0.123   0.718     4.419   50.357   45.952
LGA    P    63_E      P    63_E     3.260     0    0.071   0.380     5.011   53.571   44.966
LGA    E    64_E      E    64_E     1.960     0    0.180   0.937     4.322   68.810   64.444
LGA    I    65_E      I    65_E     0.961     0    0.234   1.156     3.977   90.476   76.071
LGA    A    66_E      A    66_E     1.087     0    0.066   0.064     1.495   85.952   85.048
LGA    V    67_E      V    67_E     1.048     0    0.066   0.186     1.795   85.952   82.789
LGA    L    68_E      L    68_E     0.479     0    0.043   0.192     1.122   92.857   90.595
LGA    V    69_E      V    69_E     0.948     0    0.044   0.137     1.671   85.952   82.789
LGA    E    70_E      E    70_E     1.628     0    0.044   0.144     3.236   75.000   66.878
LGA    K    71_E      K    71_E     1.707     0    0.101   0.876     6.986   77.143   53.280
LGA    A    72_E      A    72_E     1.237     0    0.041   0.046     1.785   77.143   78.000
LGA    A    73_E      A    73_E     1.767     0    0.029   0.036     1.940   72.857   72.857
LGA    E    74_E      E    74_E     1.911     0    0.052   0.998     3.439   72.857   65.026
LGA    M    75_E      M    75_E     1.718     0    0.037   0.976     3.323   72.857   66.071
LGA    L    76_E      L    76_E     1.801     0    0.045   1.426     3.720   70.833   62.500
LGA    K    77_E      K    77_E     2.504     0    0.046   1.087     6.745   62.857   44.233
LGA    L    78_E      L    78_E     2.020     0    0.056   0.502     3.301   73.095   68.214
LGA    L    79_E      L    79_E     0.890     0    0.041   0.729     2.651   85.952   83.036
LGA    A    80_E      A    80_E     2.006     0    0.081   0.080     2.837   70.833   68.095
LGA    K    81_E      K    81_E     2.453     0    0.130   0.599     6.097   66.786   46.720
LGA    A    82_E      A    82_E     1.722     0    0.101   0.103     1.935   77.143   76.286
LGA    L    83_E      L    83_E     0.998     0    0.123   0.175     3.751   70.357   67.083

# 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):     4.001          3.748                  4.757           62.509   55.551

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     67    2.10    68.072    70.472     3.049

LGA_LOCAL      RMSD:   2.098  Number of atoms:   67  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.119  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.001  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.191811 * X  +  -0.837582 * Y  +   0.511533 * Z  +  -6.068074
  Y_new =  -0.441472 * X  +   0.391867 * Y  +   0.807182 * Z  + -55.069427
  Z_new =  -0.876534 * X  +  -0.380654 * Y  +  -0.294604 * Z  + -37.321918 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.160923  1.068613 -2.229445   [DEG:  -66.5160   61.2270 -127.7378 ]
ZXZ:  2.576743  1.869837 -1.980494   [DEG:  147.6365  107.1338 -113.4739 ]
 
# END of job
