
#######################################################
#                                                     #
#                        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   85 (  660),  selected   83 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       7_A - 91_A        3.58     3.58
  LCS_AVERAGE:     86.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      13_A - 45_A        1.94     7.29
  LONGEST_CONTINUOUS_SEGMENT:    33      14_A - 46_A        2.00     7.38
  LCS_AVERAGE:     25.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    12      73_A - 84_A        0.93     6.59
  LONGEST_CONTINUOUS_SEGMENT:    12      75_A - 86_A        0.99     8.32
  LCS_AVERAGE:      9.04

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     L     7_A     L     7_A      6   19   83      4   11   18   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     T     8_A     T     8_A      7   21   83      5   11   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L     9_A     L     9_A     11   21   83      4   11   19   30   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    10_A     E    10_A     11   22   83      5    9   19   30   41   49   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    11_A     A    11_A     11   22   83      5   11   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    12_A     L    12_A     11   32   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    13_A     R    13_A     11   33   83      5    8   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     V    14_A     V    14_A     11   33   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     M    15_A     M    15_A     11   33   83      3    8   13   24   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     D    16_A     D    16_A     11   33   83      3    8   17   26   31   40   52   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    17_A     A    17_A     11   33   83      5    8   19   26   31   40   52   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     I    18_A     I    18_A     11   33   83      3    8   17   26   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     D    19_A     D    19_A     11   33   83      3    8   17   26   31   40   52   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    20_A     R    20_A     10   33   83      3    7   16   26   31   37   44   53   64   74   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    21_A     R    21_A      5   33   83      3    6   16   23   31   38   47   60   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     G    22_A     G    22_A      0   33   83      0    0    4   11   21   30   36   52   69   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     S    23_A     S    23_A      4   33   83      3    5    7   26   35   44   53   63   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     F    24_A     F    24_A      8   33   83      4    7   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    25_A     A    25_A      8   33   83      5    7   19   29   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    26_A     A    26_A      8   33   83      5    7   17   26   30   44   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    27_A     A    27_A      8   33   83      5    6   14   26   36   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    28_A     A    28_A      8   33   83      5    7   17   29   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     D    29_A     D    29_A      8   33   83      5    7   17   26   30   40   52   64   67   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    30_A     E    30_A      8   33   83      4    7   17   26   30   40   52   64   67   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    31_A     L    31_A      8   33   83      4    7   17   26   30   40   52   64   67   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     G    32_A     G    32_A      6   33   83      4    7   17   26   29   40   51   64   67   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    33_A     R    33_A      6   33   83      3    7   16   26   28   40   51   64   67   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     V    34_A     V    34_A      6   33   83      3    7   17   26   30   44   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     P    35_A     P    35_A      6   33   83      3    7   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     S    36_A     S    36_A      9   33   83      3    7   15   26   34   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    37_A     A    37_A      9   33   83      5    9   17   26   39   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    38_A     L    38_A      9   33   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     S    39_A     S    39_A      9   33   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     Y    40_A     Y    40_A      9   33   83      4    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     T    41_A     T    41_A     10   33   83      4    8   17   28   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     M    42_A     M    42_A     10   33   83      4    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     Q    43_A     Q    43_A     10   33   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     K    44_A     K    44_A     11   33   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    45_A     L    45_A     11   33   83      3    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    46_A     E    46_A     11   33   83      3    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    47_A     E    47_A     11   24   83      4   11   17   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    48_A     E    48_A     11   23   83      4   11   17   29   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    49_A     L    49_A     11   23   83      4   11   17   29   36   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     D    50_A     D    50_A     11   23   83      4   11   17   29   36   48   55   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     V    51_A     V    51_A     11   23   83      3   11   17   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     V    52_A     V    52_A     11   23   83      3   11   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    53_A     L    53_A     11   23   83      3   11   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     F    54_A     F    54_A     11   23   83      3   11   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     D    55_A     D    55_A      9   23   83      3    8   17   29   35   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    56_A     R    56_A      8   23   83      3    6    9   20   34   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     S    57_A     S    57_A      4   14   83      3    4    7   10   13   13   21   30   46   59   71   77   80   82   83   83   83   83   83   83 
LCS_GDT     R    60_A     R    60_A      5   14   83      4    5   13   20   30   44   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     T    61_A     T    61_A      5   14   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     K    62_A     K    62_A      5   14   83      4    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     F    63_A     F    63_A      5   14   83      4    4    9   24   41   49   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     T    64_A     T    64_A      5   14   83      3    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     N    65_A     N    65_A      4   11   83      3    3    6   19   34   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     V    66_A     V    66_A      6   10   83      3    4   11   21   27   36   46   56   60   71   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     G    67_A     G    67_A      6   12   83      3    5    6   12   28   40   55   62   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    68_A     R    68_A      6   12   83      3    5    8   20   36   50   56   63   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     M    69_A     M    69_A      6   13   83      5    9   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    70_A     L    70_A      6   19   83      3    7   18   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    71_A     L    71_A      6   19   83      3    5    6   13   25   32   50   62   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    72_A     E    72_A      6   19   83      3    5   13   22   28   35   42   50   57   71   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    73_A     R    73_A     12   19   83      3   10   19   24   30   38   44   55   62   73   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     G    74_A     G    74_A     12   19   83      3    9   19   27   36   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     R    75_A     R    75_A     12   19   83      4   10   19   28   36   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     V    76_A     V    76_A     12   19   83      4   10   19   29   37   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    77_A     L    77_A     12   19   83      4   10   19   29   40   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    78_A     L    78_A     12   19   83      4    9   19   29   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    79_A     E    79_A     12   19   83      4   10   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    80_A     A    80_A     12   19   83      4   10   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    81_A     A    81_A     12   19   83      4   10   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     D    82_A     D    82_A     12   19   83      4   10   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     K    83_A     K    83_A     12   19   83      5   10   19   31   41   50   56   64   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    84_A     L    84_A     12   19   83      4    9   19   27   36   44   53   63   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     T    85_A     T    85_A     12   19   83      4    7   13   21   31   38   46   59   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     T    86_A     T    86_A     12   19   83      4    9   13   21   31   38   50   62   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     D    87_A     D    87_A     11   19   83      4    7   10   19   26   38   46   52   64   70   77   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    88_A     A    88_A      3   19   83      4   10   19   24   31   40   51   63   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     E    89_A     E    89_A      3   18   83      3    3    3   20   27   39   46   62   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     A    90_A     A    90_A      3   18   83      3    3   13   24   30   38   47   62   70   76   79   81   82   82   83   83   83   83   83   83 
LCS_GDT     L    91_A     L    91_A      3    3   83      3    3    3    3    4    9   30   45   53   65   76   81   82   82   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  40.33  (   9.04   25.50   86.46 )

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      5     11     19     31     41     50     56     64     70     76     79     81     82     82     83     83     83     83     83     83 
GDT PERCENT_AT   5.21  11.46  19.79  32.29  42.71  52.08  58.33  66.67  72.92  79.17  82.29  84.37  85.42  85.42  86.46  86.46  86.46  86.46  86.46  86.46
GDT RMS_LOCAL    0.15   0.59   1.09   1.59   1.81   2.16   2.33   2.71   2.96   3.18   3.32   3.45   3.50   3.50   3.58   3.58   3.58   3.58   3.58   3.58
GDT RMS_ALL_AT  11.21   5.17   5.10   3.93   3.95   4.06   3.94   3.94   3.61   3.60   3.61   3.59   3.59   3.59   3.58   3.58   3.58   3.58   3.58   3.58

# Checking swapping
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    87_A      D    87_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     7_A      L     7_A     2.677     0    0.639   1.363     4.865   47.143   59.345
LGA    T     8_A      T     8_A     1.988     0    0.044   0.073     2.425   68.810   74.218
LGA    L     9_A      L     9_A     3.206     0    0.201   1.383     8.208   55.357   36.250
LGA    E    10_A      E    10_A     3.002     0    0.043   1.599     3.974   55.476   55.820
LGA    A    11_A      A    11_A     1.980     0    0.046   0.050     2.412   72.976   71.333
LGA    L    12_A      L    12_A     1.322     0    0.182   1.380     3.580   77.143   70.298
LGA    R    13_A      R    13_A     1.461     0    0.061   1.381    10.123   79.286   44.935
LGA    V    14_A      V    14_A     1.155     0    0.177   0.921     3.033   83.690   79.524
LGA    M    15_A      M    15_A     2.624     0    0.111   0.942     7.043   59.286   43.869
LGA    D    16_A      D    16_A     3.856     0    0.111   0.975     8.028   45.238   30.417
LGA    A    17_A      A    17_A     3.774     0    0.036   0.043     4.172   46.667   44.762
LGA    I    18_A      I    18_A     1.769     0    0.075   0.079     2.596   64.881   76.607
LGA    D    19_A      D    19_A     4.233     0    0.100   1.192     5.981   33.690   37.321
LGA    R    20_A      R    20_A     6.172     0    0.093   0.923    11.390   20.476   10.043
LGA    R    21_A      R    21_A     5.597     0    0.682   1.418     7.756   23.929   24.675
LGA    G    22_A      G    22_A     5.533     0    0.514   0.514     5.533   27.619   27.619
LGA    S    23_A      S    23_A     4.813     0    0.616   0.858     5.433   30.238   32.619
LGA    F    24_A      F    24_A     1.565     0    0.149   1.091     3.352   75.119   64.416
LGA    A    25_A      A    25_A     1.200     0    0.170   0.173     1.721   79.286   79.714
LGA    A    26_A      A    26_A     3.065     0    0.000   0.011     3.986   55.476   53.048
LGA    A    27_A      A    27_A     2.564     0    0.033   0.032     2.864   65.000   63.429
LGA    A    28_A      A    28_A     1.306     0    0.009   0.000     2.534   71.190   71.524
LGA    D    29_A      D    29_A     3.951     0    0.612   1.162     6.051   38.690   39.583
LGA    E    30_A      E    30_A     4.218     0    0.135   0.279     4.711   37.262   37.937
LGA    L    31_A      L    31_A     4.340     0    0.284   0.905     4.524   35.714   42.262
LGA    G    32_A      G    32_A     4.474     0    0.384   0.384     4.474   38.690   38.690
LGA    R    33_A      R    33_A     4.470     0    0.185   1.474     8.203   34.286   30.216
LGA    V    34_A      V    34_A     3.279     0    0.062   0.081     4.808   57.738   50.816
LGA    P    35_A      P    35_A     1.446     0    0.027   0.035     2.270   72.976   71.769
LGA    S    36_A      S    36_A     3.645     0    0.339   0.373     6.478   55.595   44.286
LGA    A    37_A      A    37_A     2.364     0    0.160   0.173     2.892   66.905   64.952
LGA    L    38_A      L    38_A     1.357     0    0.220   1.460     4.486   77.143   66.131
LGA    S    39_A      S    39_A     0.815     0    0.057   0.674     1.623   85.952   83.016
LGA    Y    40_A      Y    40_A     1.793     0    0.069   0.091     4.015   70.952   60.238
LGA    T    41_A      T    41_A     2.637     0    0.014   0.058     3.538   60.952   55.306
LGA    M    42_A      M    42_A     1.670     0    0.116   0.889     2.524   72.857   70.952
LGA    Q    43_A      Q    43_A     1.852     0    0.071   0.372     3.582   70.833   65.132
LGA    K    44_A      K    44_A     2.203     0    0.047   1.156     4.641   70.833   57.354
LGA    L    45_A      L    45_A     1.570     0    0.078   1.399     5.115   70.833   56.369
LGA    E    46_A      E    46_A     2.136     0    0.155   0.757     3.230   63.095   65.820
LGA    E    47_A      E    47_A     2.816     0    0.086   0.347     4.544   55.833   48.360
LGA    E    48_A      E    48_A     2.969     0    0.009   0.975     4.081   51.905   53.439
LGA    L    49_A      L    49_A     3.488     0    0.115   0.192     3.650   48.333   48.333
LGA    D    50_A      D    50_A     3.878     0    0.088   0.837     5.639   45.119   36.369
LGA    V    51_A      V    51_A     3.002     0    0.130   0.186     3.913   50.119   48.163
LGA    V    52_A      V    52_A     1.850     0    0.040   0.121     2.174   68.810   70.544
LGA    L    53_A      L    53_A     1.653     0    0.239   1.173     2.925   75.000   69.940
LGA    F    54_A      F    54_A     2.128     0    0.210   1.227     5.950   64.762   54.459
LGA    D    55_A      D    55_A     3.181     0    0.154   1.149     5.266   51.786   43.869
LGA    R    56_A      R    56_A     3.552     0    0.373   1.113     5.829   42.024   43.420
LGA    S    57_A      S    57_A     7.840     0    0.647   0.824    12.122   11.786    7.857
LGA    R    60_A      R    60_A     3.958     6    0.161   0.214     4.866   47.262   20.043
LGA    T    61_A      T    61_A     1.116     0    0.241   1.063     4.576   72.976   60.544
LGA    K    62_A      K    62_A     1.675     0    0.118   0.811     3.658   77.143   66.190
LGA    F    63_A      F    63_A     2.617     0    0.504   0.926     8.138   69.048   37.316
LGA    T    64_A      T    64_A     1.643     0    0.411   1.327     4.855   72.976   67.075
LGA    N    65_A      N    65_A     3.173     0    0.438   0.414     4.822   45.476   40.595
LGA    V    66_A      V    66_A     5.744     0    0.412   0.413     9.852   36.786   21.973
LGA    G    67_A      G    67_A     4.440     0    0.184   0.184     4.861   37.262   37.262
LGA    R    68_A      R    68_A     3.652     0    0.049   1.335     4.825   48.690   57.100
LGA    M    69_A      M    69_A     1.288     0    0.239   1.188     6.279   77.381   59.226
LGA    L    70_A      L    70_A     1.081     0    0.064   0.191     2.697   71.190   72.083
LGA    L    71_A      L    71_A     4.232     0    0.131   1.399     6.585   36.190   33.095
LGA    E    72_A      E    72_A     5.842     0    0.046   0.843    10.000   22.857   12.381
LGA    R    73_A      R    73_A     5.361     0    0.105   0.935     6.251   27.500   25.974
LGA    G    74_A      G    74_A     2.871     0    0.330   0.330     3.548   53.690   53.690
LGA    R    75_A      R    75_A     2.875     0    0.074   1.135     6.738   55.357   43.247
LGA    V    76_A      V    76_A     2.579     0    0.017   0.088     2.998   60.952   59.320
LGA    L    77_A      L    77_A     2.649     0    0.107   0.881     6.098   62.976   49.940
LGA    L    78_A      L    78_A     2.427     0    0.160   0.158     4.582   69.048   55.536
LGA    E    79_A      E    79_A     1.462     0    0.000   0.857     4.487   79.286   66.667
LGA    A    80_A      A    80_A     2.357     0    0.190   0.199     3.290   61.190   58.952
LGA    A    81_A      A    81_A     2.897     0    0.257   0.264     3.568   53.690   52.952
LGA    D    82_A      D    82_A     2.314     0    0.040   0.903     3.939   59.524   57.560
LGA    K    83_A      K    83_A     3.250     0    0.045   1.165     5.319   42.619   47.566
LGA    L    84_A      L    84_A     5.876     0    0.039   1.420     7.525   19.286   20.119
LGA    T    85_A      T    85_A     6.550     0    0.052   0.066     8.404   12.381   14.014
LGA    T    86_A      T    86_A     6.682     0    0.156   0.159     8.942   10.119   17.075
LGA    D    87_A      D    87_A     8.955     0    0.618   1.255    13.357    6.071    3.036
LGA    A    88_A      A    88_A     7.067     0    0.474   0.452     7.828   10.952   10.190
LGA    E    89_A      E    89_A     6.673     0    0.575   0.964     9.630   11.905    9.418
LGA    A    90_A      A    90_A     8.111     0    0.000   0.000     9.671    4.167    3.905
LGA    L    91_A      L    91_A    11.085     0    0.120   1.388    17.353    0.119    0.060

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     640    640  100.00                96
SUMMARY(RMSD_GDC):     3.584          3.537                  4.240           44.800   40.745

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   85   96    4.0     64    2.71    49.219    47.622     2.279

LGA_LOCAL      RMSD:   2.708  Number of atoms:   64  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.937  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   3.584  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.793554 * X  +  -0.098382 * Y  +  -0.600495 * Z  + 266.968933
  Y_new =   0.397463 * X  +  -0.831040 * Y  +  -0.389095 * Z  +  99.346519
  Z_new =  -0.460755 * X  +  -0.547443 * Y  +   0.698578 * Z  +   3.127817 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.677253  0.478846 -0.664693   [DEG:  153.3953   27.4359  -38.0841 ]
ZXZ: -0.995858  0.797388 -2.441966   [DEG:  -57.0585   45.6870 -139.9144 ]
 
# END of job
