
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       9_A - 86_A        4.92     6.63
  LCS_AVERAGE:     93.35

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      10_A - 72_A        1.85     6.97
  LCS_AVERAGE:     61.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      11_A - 66_A        0.98     7.28
  LCS_AVERAGE:     50.50

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     R     6_B     R     6_A      4    7   69      3    4    4    6    6    7    8    8   11   13   14   15   15   18   24   24   50   56   59   63 
LCS_GDT     K     7_B     K     7_A      4    7   71      3    4    4    6    6    7    8    9   11   13   14   31   37   57   58   61   63   64   67   68 
LCS_GDT     P     8_B     P     8_A      4    7   77      3    4    4    6    7   10   28   38   47   53   56   57   59   60   63   64   66   68   71   73 
LCS_GDT     K     9_B     K     9_A      4   62   78      3    4    4   12   15   29   36   50   54   55   58   59   63   64   65   65   67   72   72   73 
LCS_GDT     A    10_B     A    10_A      4   63   78      3    3    4    8   39   53   55   60   61   62   63   65   65   68   69   71   71   73   75   76 
LCS_GDT     K    11_B     K    11_A     56   63   78      3    6   12   50   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     R    12_B     R    12_A     56   63   78      9   41   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     T    13_B     T    13_A     56   63   78     18   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     W    14_B     W    14_A     56   63   78     18   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     S    15_B     S    15_A     56   63   78     18   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    16_B     K    16_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     E    17_B     E    17_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     E    18_B     E    18_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     E    19_B     E    19_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     E    20_B     E    20_A     56   63   78     12   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     A    21_B     A    21_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    22_B     L    22_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     V    23_B     V    23_A     56   63   78      8   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     E    24_B     E    24_A     56   63   78     16   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     G    25_B     G    25_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    26_B     L    26_A     56   63   78     12   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    27_B     K    27_A     56   63   78     12   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     E    28_B     E    28_A     56   63   78     18   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     V    29_B     V    29_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     G    30_B     G    30_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     P    31_B     P    31_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     S    32_B     S    32_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     W    33_B     W    33_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     S    34_B     S    34_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    35_B     K    35_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     I    36_B     I    36_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    37_B     L    37_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     D    38_B     D    38_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    39_B     L    39_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     Y    40_B     Y    40_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     G    41_B     G    41_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     P    42_B     P    42_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     G    43_B     G    43_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     G    44_B     G    44_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    45_B     K    45_A     56   63   78     20   34   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     I    46_B     I    46_A     56   63   78     20   34   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     T    47_B     T    47_A     56   63   78     20   36   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     E    48_B     E    48_A     56   63   78     15   36   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     N    49_B     N    49_A     56   63   78     18   35   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    50_B     L    50_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    51_B     K    51_A     56   63   78     15   42   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     N    52_B     N    52_A     56   63   78     15   32   50   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     R    53_B     R    53_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     T    54_B     T    54_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     Q    55_B     Q    55_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     V    56_B     V    56_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     Q    57_B     Q    57_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    58_B     L    58_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    59_B     K    59_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     D    60_B     D    60_A     56   63   78     23   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    61_B     K    61_A     56   63   78     20   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     A    62_B     A    62_A     56   63   78     10   41   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     R    63_B     R    63_A     56   63   78     10   40   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     N    64_B     N    64_A     56   63   78     19   43   52   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     W    65_B     W    65_A     56   63   78     10   32   51   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    66_B     K    66_A     56   63   78      9   31   46   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    67_B     L    67_A     51   63   78      7   26   40   55   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     Q    68_B     Q    68_A     41   63   78      7   19   37   52   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     Y    69_B     Y    69_A     39   63   78      7   21   37   50   58   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     L    70_B     L    70_A     39   63   78      7   16   33   47   57   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     K    71_B     K    71_A     20   63   78      7   14   27   43   55   61   61   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     S    72_B     S    72_A      9   63   78      2    4   14   26   40   51   57   61   62   62   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     G    73_B     G    73_A      5   12   78      3    4    6   10   11   15   20   23   26   31   35   41   50   55   60   69   71   73   75   76 
LCS_GDT     K    74_B     K    74_A     10   12   78      3    5   10   10   11   15   20   23   26   31   34   41   47   55   57   64   70   73   75   76 
LCS_GDT     P    75_B     P    75_A     10   12   78      3    9   10   10   11   15   23   26   29   36   44   50   51   57   60   67   71   73   75   76 
LCS_GDT     L    76_B     L    76_A     10   12   78      5    9   10   10   13   20   28   33   42   47   51   57   64   68   70   71   71   73   75   76 
LCS_GDT     P    77_B     P    77_A     10   12   78      5    9   10   12   20   31   38   44   47   50   57   62   67   68   70   71   71   73   75   76 
LCS_GDT     D    78_B     D    78_A     10   12   78      5    9   10   10   11   27   37   42   47   48   54   59   64   68   70   71   71   73   75   76 
LCS_GDT     Y    79_B     Y    79_A     10   12   78      5    9   10   10   11   13   20   41   47   48   54   60   67   68   70   71   71   73   75   76 
LCS_GDT     L    80_B     L    80_A     10   12   78      4    9   10   11   20   29   37   44   47   50   60   65   67   68   70   71   71   73   75   76 
LCS_GDT     I    81_B     I    81_A     10   12   78      4    9   10   11   17   29   37   44   47   48   56   61   67   68   70   71   71   73   75   76 
LCS_GDT     K    82_B     K    82_A     10   12   78      5    9   10   10   11   18   34   42   47   48   54   59   66   68   70   71   71   73   75   76 
LCS_GDT     V    83_B     V    83_A     10   12   78      3    9   10   11   20   29   37   44   47   59   63   65   67   68   70   71   71   73   75   76 
LCS_GDT     T    84_B     T    84_A      3   12   78      3    4    5    8    9   13   22   24   30   36   45   48   53   60   63   69   71   73   75   76 
LCS_GDT     G    85_B     G    85_A      4    4   78      2    4    4    4    4    6   10   11   27   29   43   46   49   54   57   66   68   70   72   75 
LCS_GDT     N    86_B     N    86_A      4    4   78      3    3    4    4    9   11   14   20   29   33   43   46   49   60   65   66   71   73   75   76 
LCS_GDT     L    87_B     L    87_A      4    4   71      3    3    4    4    4    4    4    8   12   13   15   15   15   16   21   41   54   62   62   64 
LCS_GDT     E    88_B     E    88_A      4    4   59      3    3    4    4    4    9   10   11   13   14   15   25   27   31   35   36   47   62   62   65 
LCS_AVERAGE  LCS_A:  68.33  (  50.50   61.14   93.35 )

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     23     43     52     55     58     61     61     61     62     62     63     65     67     68     70     71     71     73     75     76 
GDT PERCENT_AT  27.71  51.81  62.65  66.27  69.88  73.49  73.49  73.49  74.70  74.70  75.90  78.31  80.72  81.93  84.34  85.54  85.54  87.95  90.36  91.57
GDT RMS_LOCAL    0.34   0.58   0.77   0.93   1.16   1.45   1.45   1.45   1.69   1.62   1.95   2.39   3.02   3.10   3.56   3.62   3.62   4.19   4.39   4.58
GDT RMS_ALL_AT   7.39   7.47   7.38   7.28   7.18   7.02   7.02   7.02   7.01   6.99   6.88   6.80   6.70   6.66   6.69   6.65   6.65   6.95   6.69   6.77

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    22.326     0    0.673   1.114    27.693    0.000    0.000
LGA    K     7_B      K     7_A    18.350     0    0.067   0.808    19.307    0.000    0.000
LGA    P     8_B      P     8_A    13.466     0    0.071   0.286    16.732    0.000    0.000
LGA    K     9_B      K     9_A    10.239     0    0.235   0.776    11.549    5.119    2.434
LGA    A    10_B      A    10_A     6.047     0    0.293   0.367     7.961   29.405   24.952
LGA    K    11_B      K    11_A     2.361     0    0.180   0.682     8.625   59.524   34.074
LGA    R    12_B      R    12_A     1.333     0    0.202   1.100     8.996   83.690   48.225
LGA    T    13_B      T    13_A     1.448     0    0.081   0.982     4.179   81.429   74.014
LGA    W    14_B      W    14_A     1.043     0    0.074   0.193     1.588   79.286   86.633
LGA    S    15_B      S    15_A     1.835     0    0.060   0.064     2.049   72.857   71.508
LGA    K    16_B      K    16_A     2.173     0    0.036   0.636     3.829   68.810   59.206
LGA    E    17_B      E    17_A     1.779     0    0.031   1.145     5.778   77.143   60.212
LGA    E    18_B      E    18_A     0.789     0    0.038   0.580     1.728   88.214   86.508
LGA    E    19_B      E    19_A     1.121     0    0.038   0.356     2.004   83.690   84.656
LGA    E    20_B      E    20_A     1.618     0    0.043   0.781     5.684   77.143   58.519
LGA    A    21_B      A    21_A     0.933     0    0.055   0.057     1.127   88.214   88.667
LGA    L    22_B      L    22_A     0.832     0    0.072   0.091     1.089   85.952   88.214
LGA    V    23_B      V    23_A     1.624     0    0.031   0.050     2.333   77.143   72.993
LGA    E    24_B      E    24_A     1.091     0    0.038   0.682     2.695   85.952   75.185
LGA    G    25_B      G    25_A     0.586     0    0.034   0.034     0.814   90.476   90.476
LGA    L    26_B      L    26_A     1.391     0    0.048   1.112     4.377   81.429   71.667
LGA    K    27_B      K    27_A     1.569     0    0.190   1.135     7.109   72.976   53.386
LGA    E    28_B      E    28_A     1.123     0    0.073   0.790     2.594   85.952   76.085
LGA    V    29_B      V    29_A     0.706     0    0.249   1.211     2.792   83.810   80.748
LGA    G    30_B      G    30_A     1.335     0    0.115   0.115     1.335   81.429   81.429
LGA    P    31_B      P    31_A     1.355     0    0.130   0.494     1.355   83.690   86.667
LGA    S    32_B      S    32_A     1.156     0    0.082   0.103     2.058   85.952   81.667
LGA    W    33_B      W    33_A     0.862     0    0.030   1.417     4.289   90.476   72.687
LGA    S    34_B      S    34_A     0.808     0    0.044   0.665     1.129   90.476   87.460
LGA    K    35_B      K    35_A     0.681     0    0.040   1.454     8.142   90.476   63.175
LGA    I    36_B      I    36_A     0.391     0    0.026   0.124     0.753   97.619   97.619
LGA    L    37_B      L    37_A     0.360     0    0.036   0.979     2.482   95.238   88.810
LGA    D    38_B      D    38_A     0.941     0    0.037   0.826     4.313   85.952   69.464
LGA    L    39_B      L    39_A     1.040     0    0.027   1.014     2.727   85.952   77.500
LGA    Y    40_B      Y    40_A     0.839     0    0.051   0.087     1.968   90.476   82.341
LGA    G    41_B      G    41_A     0.456     0    0.043   0.043     0.584   95.238   95.238
LGA    P    42_B      P    42_A     0.405     0    0.036   0.192     0.946   95.238   94.558
LGA    G    43_B      G    43_A     0.744     0    0.064   0.064     1.111   88.214   88.214
LGA    G    44_B      G    44_A     1.058     0    0.036   0.036     1.548   81.548   81.548
LGA    K    45_B      K    45_A     1.957     0    0.071   1.066     8.330   66.905   46.190
LGA    I    46_B      I    46_A     1.970     0    0.055   0.636     2.609   70.833   67.857
LGA    T    47_B      T    47_A     1.520     0    0.035   0.964     3.152   75.000   67.551
LGA    E    48_B      E    48_A     1.446     0    0.191   1.017     3.192   81.429   73.439
LGA    N    49_B      N    49_A     1.462     0    0.122   1.134     3.439   79.286   69.345
LGA    L    50_B      L    50_A     0.558     0    0.186   0.164     1.225   90.476   89.345
LGA    K    51_B      K    51_A     0.912     0    0.720   0.734     2.767   82.143   82.804
LGA    N    52_B      N    52_A     1.699     0    0.066   0.786     3.504   77.143   72.381
LGA    R    53_B      R    53_A     0.699     0    0.045   0.999     3.185   90.476   85.974
LGA    T    54_B      T    54_A     0.703     0    0.053   1.011     2.891   90.476   83.197
LGA    Q    55_B      Q    55_A     0.542     0    0.047   0.843     3.354   90.476   81.164
LGA    V    56_B      V    56_A     0.719     0    0.057   0.076     0.868   90.476   93.197
LGA    Q    57_B      Q    57_A     0.784     0    0.036   1.010     2.564   90.476   84.815
LGA    L    58_B      L    58_A     0.649     0    0.028   1.079     2.488   90.476   86.429
LGA    K    59_B      K    59_A     0.833     0    0.049   1.306     6.698   90.476   68.307
LGA    D    60_B      D    60_A     0.946     0    0.049   0.099     1.357   88.214   85.952
LGA    K    61_B      K    61_A     0.800     0    0.020   0.735     3.193   90.476   79.259
LGA    A    62_B      A    62_A     0.618     0    0.079   0.077     0.796   90.476   90.476
LGA    R    63_B      R    63_A     1.192     0    0.045   1.233     4.757   85.952   57.143
LGA    N    64_B      N    64_A     1.024     0    0.074   0.111     2.172   88.214   79.583
LGA    W    65_B      W    65_A     0.949     0    0.044   1.416     5.003   83.810   65.510
LGA    K    66_B      K    66_A     1.433     0    0.012   0.671     2.390   77.381   74.868
LGA    L    67_B      L    67_A     1.942     0    0.030   0.197     2.725   66.905   72.024
LGA    Q    68_B      Q    68_A     2.556     0    0.051   0.794     3.559   57.262   56.508
LGA    Y    69_B      Y    69_A     2.956     0    0.059   1.450     7.596   50.357   47.540
LGA    L    70_B      L    70_A     3.748     0    0.027   0.967     4.692   40.476   41.964
LGA    K    71_B      K    71_A     3.969     0    0.539   1.655     6.207   32.500   44.074
LGA    S    72_B      S    72_A     7.286     0    0.716   0.631    10.276    7.976    9.365
LGA    G    73_B      G    73_A    14.164     0    0.718   0.718    16.418    0.000    0.000
LGA    K    74_B      K    74_A    15.589     0    0.076   0.707    18.415    0.000    0.000
LGA    P    75_B      P    75_A    15.968     0    0.077   0.240    18.821    0.000    0.000
LGA    L    76_B      L    76_A    12.916     0    0.111   1.010    14.000    0.000    0.000
LGA    P    77_B      P    77_A    11.818     0    0.065   0.080    11.934    0.000    0.000
LGA    D    78_B      D    78_A    13.306     0    0.058   0.600    15.042    0.000    0.000
LGA    Y    79_B      Y    79_A    10.966     0    0.236   1.150    11.503    0.119    5.516
LGA    L    80_B      L    80_A     9.764     0    0.215   0.906    10.217    0.595    5.179
LGA    I    81_B      I    81_A    11.353     0    0.616   1.004    14.231    0.000    0.000
LGA    K    82_B      K    82_A    11.609     0    0.109   0.717    19.656    0.000    0.000
LGA    V    83_B      V    83_A     9.019     0    0.253   1.010    11.407    0.476    8.912
LGA    T    84_B      T    84_A    12.826     0    0.215   1.161    14.253    0.000    0.000
LGA    G    85_B      G    85_A    14.014     0    0.475   0.475    14.014    0.000    0.000
LGA    N    86_B      N    86_A    12.218     0    0.261   0.877    14.268    0.000    0.000
LGA    L    87_B      L    87_A    15.991     0    0.173   0.806    17.659    0.000    0.000
LGA    E    88_B      E    88_A    15.455     0    0.066   0.705    19.193    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     6.393          6.315                  6.917           60.409   55.574

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     61    1.45    69.277    68.768     3.939

LGA_LOCAL      RMSD:   1.448  Number of atoms:   61  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.017  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   6.393  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.347099 * X  +  -0.416626 * Y  +  -0.840205 * Z  +  67.374275
  Y_new =  -0.699640 * X  +  -0.481569 * Y  +   0.527821 * Z  +  50.698578
  Z_new =  -0.624521 * X  +   0.771047 * Y  +  -0.124336 * Z  + -30.970558 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.031327  0.674518  1.730677   [DEG: -116.3865   38.6471   99.1605 ]
ZXZ: -2.131697  1.695455 -0.680788   [DEG: -122.1373   97.1424  -39.0063 ]
 
# END of job
