
#######################################################
#                                                     #
#                        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:    79       8_A - 86_A        5.00     6.32
  LCS_AVERAGE:     94.72

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63       9_A - 71_A        1.80     6.89
  LONGEST_CONTINUOUS_SEGMENT:    63      10_A - 72_A        1.77     6.98
  LCS_AVERAGE:     62.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      11_A - 68_A        0.95     6.98
  LCS_AVERAGE:     52.90

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      6    7   69      4    4    6    7    7    7    9   11   12   13   13   14   15   15   15   29   30   32   52   60 
LCS_GDT     K     7_B     K     7_A      6    7   77      4    4    6    7    7    7   10   11   12   15   16   29   48   57   59   62   63   65   66   68 
LCS_GDT     P     8_B     P     8_A      6   61   79      4    4    6    7   11   30   38   49   55   57   58   59   61   64   64   68   70   72   73   74 
LCS_GDT     K     9_B     K     9_A      6   63   79      4    4    6    7   36   51   56   56   58   60   61   63   65   66   67   70   71   73   73   74 
LCS_GDT     A    10_B     A    10_A     56   63   79      3    4    6    7   50   55   56   57   60   60   63   65   66   67   70   71   72   73   74   75 
LCS_GDT     K    11_B     K    11_A     58   63   79     13   39   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     R    12_B     R    12_A     58   63   79      9   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     T    13_B     T    13_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     W    14_B     W    14_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     S    15_B     S    15_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    16_B     K    16_A     58   63   79     31   49   55   57   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     E    17_B     E    17_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     E    18_B     E    18_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     E    19_B     E    19_A     58   63   79     30   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     E    20_B     E    20_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     A    21_B     A    21_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    22_B     L    22_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     V    23_B     V    23_A     58   63   79     13   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     E    24_B     E    24_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     G    25_B     G    25_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    26_B     L    26_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    27_B     K    27_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     E    28_B     E    28_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     V    29_B     V    29_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     G    30_B     G    30_A     58   63   79     15   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     P    31_B     P    31_A     58   63   79     18   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     S    32_B     S    32_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     W    33_B     W    33_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     S    34_B     S    34_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    35_B     K    35_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     I    36_B     I    36_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    37_B     L    37_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     D    38_B     D    38_A     58   63   79     21   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    39_B     L    39_A     58   63   79     21   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     Y    40_B     Y    40_A     58   63   79     30   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     G    41_B     G    41_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     P    42_B     P    42_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     G    43_B     G    43_A     58   63   79     16   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     G    44_B     G    44_A     58   63   79     21   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    45_B     K    45_A     58   63   79     16   44   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     I    46_B     I    46_A     58   63   79     16   35   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     T    47_B     T    47_A     58   63   79     16   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     E    48_B     E    48_A     58   63   79     14   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     N    49_B     N    49_A     58   63   79     18   48   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    50_B     L    50_A     58   63   79     18   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    51_B     K    51_A     58   63   79     24   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     N    52_B     N    52_A     58   63   79     18   48   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     R    53_B     R    53_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     T    54_B     T    54_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     Q    55_B     Q    55_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     V    56_B     V    56_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     Q    57_B     Q    57_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    58_B     L    58_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    59_B     K    59_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     D    60_B     D    60_A     58   63   79     31   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    61_B     K    61_A     58   63   79     30   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     A    62_B     A    62_A     58   63   79     18   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     R    63_B     R    63_A     58   63   79     18   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     N    64_B     N    64_A     58   63   79     11   41   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     W    65_B     W    65_A     58   63   79     18   49   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    66_B     K    66_A     58   63   79     12   36   55   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    67_B     L    67_A     58   63   79      6   21   44   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     Q    68_B     Q    68_A     58   63   79      6   17   40   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     Y    69_B     Y    69_A     56   63   79     12   31   48   58   59   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    70_B     L    70_A     38   63   79      3    4    8   39   55   59   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    71_B     K    71_A      9   63   79      3    6   27   51   58   60   61   61   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     S    72_B     S    72_A      6   63   79      5    6    9   12   17   32   46   58   62   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     G    73_B     G    73_A      6   14   79      5    6    9   12   15   18   24   28   32   40   45   57   64   70   71   72   73   74   74   75 
LCS_GDT     K    74_B     K    74_A      7   14   79      5    6    9   12   15   18   23   27   32   36   42   50   53   64   68   72   73   74   74   75 
LCS_GDT     P    75_B     P    75_A      7   14   79      5    6    9   12   15   18   23   27   32   36   41   50   53   56   60   68   73   74   74   75 
LCS_GDT     L    76_B     L    76_A      7   14   79      5    6    9   12   17   23   29   36   47   51   56   63   68   70   71   72   73   74   74   75 
LCS_GDT     P    77_B     P    77_A      7   14   79      4    6    8   13   21   31   39   45   50   55   60   67   68   70   71   72   73   74   74   75 
LCS_GDT     D    78_B     D    78_A      7   14   79      4    6    9   14   22   29   37   45   47   55   59   64   68   70   71   72   73   74   74   75 
LCS_GDT     Y    79_B     Y    79_A      7   14   79      4    6    9   14   22   32   41   46   52   61   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     L    80_B     L    80_A      7   14   79      4    6    9   14   22   31   41   46   60   62   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     I    81_B     I    81_A      7   14   79      4    5    9   13   21   29   34   45   47   55   61   67   68   70   71   72   73   74   74   75 
LCS_GDT     K    82_B     K    82_A      7   14   79      4    5    8   13   18   24   30   37   47   49   54   59   64   70   71   72   73   74   74   75 
LCS_GDT     V    83_B     V    83_A      7   14   79      4    5    9   13   19   25   33   40   47   59   64   67   68   70   71   72   73   74   74   75 
LCS_GDT     T    84_B     T    84_A      3   14   79      1    3    3    9   15   18   24   29   32   37   45   54   58   67   70   71   73   74   74   75 
LCS_GDT     G    85_B     G    85_A      3    4   79      0    3    3    3    4    5   12   15   20   27   33   37   43   62   64   65   67   73   73   75 
LCS_GDT     N    86_B     N    86_A      3    4   79      3    3    3    3    4    4    5    9   12   15   22   28   35   39   48   61   62   63   64   73 
LCS_GDT     L    87_B     L    87_A      3    4   78      3    3    3    3    3    4    4   10   12   15   22   23   35   54   57   61   62   63   64   69 
LCS_GDT     E    88_B     E    88_A      3    4   60      3    3    3    3    3    4    4    6   12   15   22   31   35   43   57   61   62   63   64   73 
LCS_AVERAGE  LCS_A:  69.97  (  52.90   62.29   94.72 )

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     31     49     55     58     59     60     61     61     62     62     64     67     68     70     71     72     73     74     74     75 
GDT PERCENT_AT  37.35  59.04  66.27  69.88  71.08  72.29  73.49  73.49  74.70  74.70  77.11  80.72  81.93  84.34  85.54  86.75  87.95  89.16  89.16  90.36
GDT RMS_LOCAL    0.37   0.58   0.71   1.00   1.01   1.13   1.28   1.28   1.58   1.58   2.15   2.84   3.05   3.41   3.58   3.77   3.93   4.13   4.01   4.21
GDT RMS_ALL_AT   7.18   7.08   7.07   6.96   6.97   7.00   6.98   6.98   7.03   7.03   6.85   6.62   6.58   6.67   6.62   6.70   6.63   6.71   6.57   6.64

# Checking swapping
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    23.693     0    0.665   1.023    32.793    0.000    0.000
LGA    K     7_B      K     7_A    18.810     0    0.048   1.048    20.088    0.000    0.000
LGA    P     8_B      P     8_A    12.371     0    0.094   0.124    16.177    0.000    0.000
LGA    K     9_B      K     9_A     8.672     0    0.064   0.878     9.446    8.929    7.513
LGA    A    10_B      A    10_A     6.378     0    0.079   0.075     8.432   25.476   21.333
LGA    K    11_B      K    11_A     0.811     0    0.540   1.064     7.865   82.143   49.418
LGA    R    12_B      R    12_A     1.567     0    0.173   0.805     6.944   83.810   51.126
LGA    T    13_B      T    13_A     1.807     0    0.077   1.009     4.536   72.857   67.211
LGA    W    14_B      W    14_A     1.142     0    0.068   0.156     1.522   79.286   86.633
LGA    S    15_B      S    15_A     1.548     0    0.062   0.060     1.622   79.286   78.571
LGA    K    16_B      K    16_A     1.723     0    0.043   1.183     4.116   77.143   64.868
LGA    E    17_B      E    17_A     1.193     0    0.021   1.232     5.373   85.952   67.884
LGA    E    18_B      E    18_A     0.462     0    0.041   0.299     1.050   92.857   92.646
LGA    E    19_B      E    19_A     0.949     0    0.038   0.751     4.529   85.952   68.201
LGA    E    20_B      E    20_A     0.954     0    0.046   0.857     3.708   90.476   74.974
LGA    A    21_B      A    21_A     0.723     0    0.042   0.045     0.794   90.476   90.476
LGA    L    22_B      L    22_A     0.661     0    0.074   0.973     2.199   90.476   86.250
LGA    V    23_B      V    23_A     1.251     0    0.035   0.082     1.838   81.429   80.204
LGA    E    24_B      E    24_A     0.660     0    0.042   0.729     2.715   90.476   85.767
LGA    G    25_B      G    25_A     0.622     0    0.036   0.036     0.888   90.476   90.476
LGA    L    26_B      L    26_A     1.139     0    0.032   0.295     1.479   83.690   83.690
LGA    K    27_B      K    27_A     1.274     0    0.155   1.498     8.043   79.286   55.979
LGA    E    28_B      E    28_A     0.948     0    0.094   0.360     1.807   90.476   86.508
LGA    V    29_B      V    29_A     0.973     0    0.239   1.184     2.984   81.548   78.095
LGA    G    30_B      G    30_A     1.465     0    0.220   0.220     1.892   79.286   79.286
LGA    P    31_B      P    31_A     1.264     0    0.278   0.485     2.105   77.262   77.959
LGA    S    32_B      S    32_A     0.760     0    0.099   0.702     3.001   90.476   82.222
LGA    W    33_B      W    33_A     0.629     0    0.026   1.269     5.348   90.476   72.143
LGA    S    34_B      S    34_A     0.499     0    0.031   0.084     0.884   97.619   95.238
LGA    K    35_B      K    35_A     0.523     0    0.027   1.020     5.350   95.238   70.899
LGA    I    36_B      I    36_A     0.234     0    0.034   0.147     1.036  100.000   97.679
LGA    L    37_B      L    37_A     0.165     0    0.042   0.080     0.832   97.619   95.238
LGA    D    38_B      D    38_A     0.642     0    0.033   0.174     1.131   90.476   89.345
LGA    L    39_B      L    39_A     0.757     0    0.021   0.981     2.600   90.476   82.976
LGA    Y    40_B      Y    40_A     0.585     0    0.073   0.178     1.593   92.857   87.540
LGA    G    41_B      G    41_A     0.252     0    0.052   0.052     0.455  100.000  100.000
LGA    P    42_B      P    42_A     0.323     0    0.597   0.681     3.498   82.857   88.844
LGA    G    43_B      G    43_A     0.395     0    0.156   0.156     0.838   92.857   92.857
LGA    G    44_B      G    44_A     0.878     0    0.032   0.032     1.164   85.952   85.952
LGA    K    45_B      K    45_A     1.575     0    0.093   0.746     3.566   72.976   69.630
LGA    I    46_B      I    46_A     1.637     0    0.062   1.454     5.202   75.000   61.667
LGA    T    47_B      T    47_A     1.191     0    0.054   0.920     2.823   81.429   74.490
LGA    E    48_B      E    48_A     1.086     0    0.188   0.817     2.481   85.952   79.683
LGA    N    49_B      N    49_A     1.093     0    0.120   1.040     4.052   81.429   71.726
LGA    L    50_B      L    50_A     0.759     0    0.060   1.040     3.612   92.857   83.512
LGA    K    51_B      K    51_A     0.757     0    0.135   0.697     3.109   88.214   79.153
LGA    N    52_B      N    52_A     1.001     0    0.217   0.919     4.952   81.548   65.774
LGA    R    53_B      R    53_A     0.610     0    0.021   0.099     1.166   90.476   88.009
LGA    T    54_B      T    54_A     0.523     0    0.058   0.065     0.644   90.476   91.837
LGA    Q    55_B      Q    55_A     0.450     0    0.026   0.858     2.492   95.238   82.222
LGA    V    56_B      V    56_A     0.641     0    0.043   0.989     2.442   90.476   84.286
LGA    Q    57_B      Q    57_A     0.736     0    0.027   0.388     1.685   90.476   88.519
LGA    L    58_B      L    58_A     0.469     0    0.035   0.084     0.608   92.857   96.429
LGA    K    59_B      K    59_A     0.588     0    0.062   1.108     7.045   90.476   71.429
LGA    D    60_B      D    60_A     0.724     0    0.064   0.168     1.161   88.214   89.345
LGA    K    61_B      K    61_A     0.566     0    0.024   0.643     1.677   90.476   87.513
LGA    A    62_B      A    62_A     0.686     0    0.041   0.046     0.929   90.476   90.476
LGA    R    63_B      R    63_A     1.001     0    0.054   1.068     3.618   83.690   73.420
LGA    N    64_B      N    64_A     1.108     0    0.056   0.151     2.003   81.429   77.202
LGA    W    65_B      W    65_A     0.984     0    0.039   1.487     5.039   88.214   69.660
LGA    K    66_B      K    66_A     1.047     0    0.043   0.709     1.832   81.548   83.545
LGA    L    67_B      L    67_A     2.177     0    0.028   0.228     2.899   64.881   61.012
LGA    Q    68_B      Q    68_A     2.317     0    0.059   1.527     5.247   62.857   52.540
LGA    Y    69_B      Y    69_A     2.014     0    0.589   1.509     9.893   61.190   40.675
LGA    L    70_B      L    70_A     4.655     0    0.096   1.108     8.264   32.976   24.821
LGA    K    71_B      K    71_A     3.619     0    0.079   0.555     8.399   34.167   28.783
LGA    S    72_B      S    72_A     7.614     0    0.702   0.762     9.066    8.214    6.746
LGA    G    73_B      G    73_A    12.755     0    0.394   0.394    16.410    0.000    0.000
LGA    K    74_B      K    74_A    13.703     0    0.082   0.917    16.827    0.000    0.000
LGA    P    75_B      P    75_A    15.718     0    0.025   0.115    18.840    0.000    0.000
LGA    L    76_B      L    76_A    11.868     0    0.031   1.213    14.218    0.000    0.000
LGA    P    77_B      P    77_A    11.098     0    0.100   0.152    11.205    0.000    0.000
LGA    D    78_B      D    78_A    12.448     0    0.031   0.906    13.789    0.000    0.000
LGA    Y    79_B      Y    79_A     9.391     0    0.161   1.456    10.364    2.857    4.405
LGA    L    80_B      L    80_A     8.408     0    0.200   1.029     9.174    2.976   10.476
LGA    I    81_B      I    81_A    11.167     0    0.034   0.194    13.127    0.000    0.000
LGA    K    82_B      K    82_A    12.782     0    0.261   1.117    14.854    0.000    0.000
LGA    V    83_B      V    83_A     9.348     0    0.657   1.181    10.382    1.190    6.122
LGA    T    84_B      T    84_A    12.642     0    0.603   1.261    17.283    0.000    0.000
LGA    G    85_B      G    85_A    15.176     0    0.576   0.576    15.176    0.000    0.000
LGA    N    86_B      N    86_A    15.854     0    0.591   1.444    17.120    0.000    0.000
LGA    L    87_B      L    87_A    14.348     0    0.141   0.338    16.185    0.000    0.000
LGA    E    88_B      E    88_A    17.258     0    0.044   1.190    20.956    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):     6.157          6.123                  6.802           62.424   57.363

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     61    1.28    72.289    70.470     4.412

LGA_LOCAL      RMSD:   1.283  Number of atoms:   61  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.975  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   6.157  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.296066 * X  +  -0.346457 * Y  +  -0.890119 * Z  +  61.336502
  Y_new =  -0.719336 * X  +  -0.532228 * Y  +   0.446418 * Z  +  57.132587
  Z_new =  -0.628411 * X  +   0.772465 * Y  +  -0.091644 * Z  + -31.312723 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.961248  0.679508  1.688883   [DEG: -112.3712   38.9330   96.7659 ]
ZXZ: -2.035664  1.662569 -0.682927   [DEG: -116.6349   95.2582  -39.1288 ]
 
# END of job
