
#######################################################
#                                                     #
#                        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        4.90     6.74
  LONGEST_CONTINUOUS_SEGMENT:    78      10_A - 87_A        4.92     6.82
  LONGEST_CONTINUOUS_SEGMENT:    78      11_A - 88_A        4.96     6.92
  LCS_AVERAGE:     93.61

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      11_A - 72_A        2.00     7.30
  LCS_AVERAGE:     60.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      12_A - 65_A        0.97     7.50
  LCS_AVERAGE:     47.48

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      7   10   67      5    7    7    7    9   10   11   11   12   14   14   21   26   27   40   57   62   63   64   65 
LCS_GDT     K     7_B     K     7_A      7   10   68      5    7    7    7    9   10   11   11   15   19   27   43   49   51   55   63   63   63   65   67 
LCS_GDT     P     8_B     P     8_A      7   10   74      5    7    7    7    9   10   11   19   33   40   44   57   61   62   62   63   64   66   67   68 
LCS_GDT     K     9_B     K     9_A      7   57   78      5    7    7   14   24   30   43   51   57   57   59   59   61   64   66   70   71   74   75   75 
LCS_GDT     A    10_B     A    10_A      7   60   78      5    7    7   14   25   42   49   55   57   57   59   59   61   65   66   70   71   74   75   75 
LCS_GDT     K    11_B     K    11_A     53   62   78      7   18   46   54   55   57   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     R    12_B     R    12_A     54   62   78      4   17   46   54   55   57   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     T    13_B     T    13_A     54   62   78      5   35   49   54   55   57   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     W    14_B     W    14_A     54   62   78     13   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     S    15_B     S    15_A     54   62   78      8   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    16_B     K    16_A     54   62   78     13   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     E    17_B     E    17_A     54   62   78     13   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     E    18_B     E    18_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     E    19_B     E    19_A     54   62   78     14   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     E    20_B     E    20_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     A    21_B     A    21_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    22_B     L    22_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     V    23_B     V    23_A     54   62   78     18   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     E    24_B     E    24_A     54   62   78     11   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     G    25_B     G    25_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    26_B     L    26_A     54   62   78     14   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    27_B     K    27_A     54   62   78     11   31   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     E    28_B     E    28_A     54   62   78      9   34   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     V    29_B     V    29_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     G    30_B     G    30_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     P    31_B     P    31_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     S    32_B     S    32_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     W    33_B     W    33_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     S    34_B     S    34_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    35_B     K    35_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     I    36_B     I    36_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    37_B     L    37_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     D    38_B     D    38_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    39_B     L    39_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     Y    40_B     Y    40_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     G    41_B     G    41_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     P    42_B     P    42_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     G    43_B     G    43_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     G    44_B     G    44_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    45_B     K    45_A     54   62   78     21   39   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     I    46_B     I    46_A     54   62   78     21   39   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     T    47_B     T    47_A     54   62   78     21   40   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     E    48_B     E    48_A     54   62   78     19   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     N    49_B     N    49_A     54   62   78     15   31   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    50_B     L    50_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    51_B     K    51_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     N    52_B     N    52_A     54   62   78     21   40   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     R    53_B     R    53_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     T    54_B     T    54_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     Q    55_B     Q    55_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     V    56_B     V    56_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     Q    57_B     Q    57_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    58_B     L    58_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    59_B     K    59_A     54   62   78     22   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     D    60_B     D    60_A     54   62   78     21   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    61_B     K    61_A     54   62   78     19   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     A    62_B     A    62_A     54   62   78     11   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     R    63_B     R    63_A     54   62   78     11   42   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     N    64_B     N    64_A     54   62   78      6   26   49   54   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     W    65_B     W    65_A     54   62   78      7   30   49   53   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    66_B     K    66_A     53   62   78      7    8   35   52   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    67_B     L    67_A     36   62   78      7   14   29   44   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     Q    68_B     Q    68_A     34   62   78      7   14   29   47   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     Y    69_B     Y    69_A      9   62   78      7   24   34   52   56   58   59   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    70_B     L    70_A      9   62   78      7   12   29   41   54   58   58   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     K    71_B     K    71_A      9   62   78      7   10   26   38   52   58   58   59   61   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     S    72_B     S    72_A      3   62   78      3    6    9   19   32   43   53   57   59   59   62   65   67   70   71   73   73   75   76   76 
LCS_GDT     G    73_B     G    73_A      8   12   78      3    5    8    9   14   14   16   21   24   28   33   40   46   54   64   68   70   75   76   76 
LCS_GDT     K    74_B     K    74_A      8   13   78      3    7    9   10   14   17   20   25   29   34   42   49   53   62   67   70   72   75   76   76 
LCS_GDT     P    75_B     P    75_A      8   13   78      3    7    9   10   14   18   23   27   33   39   47   49   53   62   67   70   72   75   76   76 
LCS_GDT     L    76_B     L    76_A      8   13   78      4    7    9   14   20   26   38   44   48   53   59   62   65   70   71   73   73   75   76   76 
LCS_GDT     P    77_B     P    77_A      8   13   78      4    7    9   14   24   33   41   46   49   54   59   63   67   70   71   73   73   75   76   76 
LCS_GDT     D    78_B     D    78_A      8   13   78      4    7    9   14   21   31   39   46   49   51   57   62   65   70   71   73   73   75   76   76 
LCS_GDT     Y    79_B     Y    79_A      8   13   78      4    7    9   14   24   33   41   46   49   55   60   65   67   70   71   73   73   75   76   76 
LCS_GDT     L    80_B     L    80_A      8   13   78      3    7    9   14   24   33   41   46   53   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     I    81_B     I    81_A      8   13   78      3    6    9   14   21   30   39   46   49   52   59   63   67   70   71   73   73   75   76   76 
LCS_GDT     K    82_B     K    82_A      8   13   78      3    5    9   14   19   26   35   41   47   49   52   56   63   67   71   73   73   75   76   76 
LCS_GDT     V    83_B     V    83_A      8   13   78      3    6    9   14   19   29   38   46   50   61   63   65   67   70   71   73   73   75   76   76 
LCS_GDT     T    84_B     T    84_A      8   13   78      3    5    9   12   15   21   26   30   35   43   48   55   63   68   69   73   73   75   76   76 
LCS_GDT     G    85_B     G    85_A      6   13   78      3    4    6   11   18   23   35   44   48   57   59   62   65   68   69   73   73   75   76   76 
LCS_GDT     N    86_B     N    86_A      4   13   78      3    4    5    9   13   14   26   33   39   57   60   64   66   70   71   73   73   75   76   76 
LCS_GDT     L    87_B     L    87_A      4    4   78      3    4    4    5    6    7   10   14   15   15   16   16   30   32   40   48   57   62   64   66 
LCS_GDT     E    88_B     E    88_A      4    4   78      3    4    4    5    7    9   12   14   15   15   16   16   30   32   40   47   57   59   64   66 
LCS_AVERAGE  LCS_A:  67.26  (  47.48   60.68   93.61 )

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     22     42     49     54     56     58     59     59     61     61     63     65     67     70     71     73     73     75     76     76 
GDT PERCENT_AT  26.51  50.60  59.04  65.06  67.47  69.88  71.08  71.08  73.49  73.49  75.90  78.31  80.72  84.34  85.54  87.95  87.95  90.36  91.57  91.57
GDT RMS_LOCAL    0.35   0.61   0.75   1.01   1.29   1.53   1.47   1.47   1.72   1.72   2.27   2.67   3.09   3.54   3.69   3.92   3.92   4.34   4.53   4.53
GDT RMS_ALL_AT   7.63   7.61   7.60   7.53   7.35   7.35   7.31   7.31   7.29   7.29   7.10   7.05   6.94   6.85   6.81   6.71   6.71   6.84   6.94   6.94

# Checking swapping
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  Y    69_B      Y    69_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    25.730     0    0.507   1.658    34.519    0.000    0.000
LGA    K     7_B      K     7_A    21.513     0    0.063   1.441    23.708    0.000    0.000
LGA    P     8_B      P     8_A    16.236     0    0.100   0.138    19.642    0.000    0.000
LGA    K     9_B      K     9_A    11.289     0    0.048   0.369    12.904    0.000    5.503
LGA    A    10_B      A    10_A     9.664     0    0.582   0.584    10.328    2.619    2.095
LGA    K    11_B      K    11_A     3.683     0    0.208   1.168     5.514   36.310   39.048
LGA    R    12_B      R    12_A     3.067     0    0.202   1.122     9.460   59.167   36.147
LGA    T    13_B      T    13_A     2.250     0    0.044   1.115     3.234   69.048   64.014
LGA    W    14_B      W    14_A     0.734     0    0.136   0.246     1.283   85.952   88.537
LGA    S    15_B      S    15_A     0.937     0    0.068   0.654     1.241   90.476   87.460
LGA    K    16_B      K    16_A     1.266     0    0.041   0.808     2.016   81.429   78.677
LGA    E    17_B      E    17_A     1.161     0    0.020   0.115     1.741   85.952   80.582
LGA    E    18_B      E    18_A     0.606     0    0.035   0.340     1.563   90.476   87.513
LGA    E    19_B      E    19_A     0.939     0    0.047   0.100     1.127   85.952   87.460
LGA    E    20_B      E    20_A     0.936     0    0.063   0.794     4.819   88.214   70.847
LGA    A    21_B      A    21_A     0.825     0    0.040   0.044     0.935   90.476   90.476
LGA    L    22_B      L    22_A     0.789     0    0.047   0.104     0.985   90.476   90.476
LGA    V    23_B      V    23_A     1.263     0    0.074   0.077     1.588   79.286   80.204
LGA    E    24_B      E    24_A     1.183     0    0.030   0.861     2.406   81.429   77.725
LGA    G    25_B      G    25_A     0.625     0    0.034   0.034     0.809   90.476   90.476
LGA    L    26_B      L    26_A     1.179     0    0.027   0.271     2.039   83.690   80.476
LGA    K    27_B      K    27_A     1.739     0    0.184   0.941     6.115   71.071   58.413
LGA    E    28_B      E    28_A     1.267     0    0.090   0.839     5.245   83.690   64.868
LGA    V    29_B      V    29_A     0.238     0    0.265   1.186     2.892   90.833   84.626
LGA    G    30_B      G    30_A     1.025     0    0.216   0.216     1.838   81.548   81.548
LGA    P    31_B      P    31_A     1.191     0    0.252   0.492     1.964   81.548   81.565
LGA    S    32_B      S    32_A     1.028     0    0.106   0.109     1.307   85.952   84.444
LGA    W    33_B      W    33_A     0.869     0    0.035   1.258     5.885   90.476   70.374
LGA    S    34_B      S    34_A     0.944     0    0.030   0.614     2.066   90.476   84.683
LGA    K    35_B      K    35_A     0.663     0    0.033   1.001     4.143   90.476   73.810
LGA    I    36_B      I    36_A     0.303     0    0.032   0.191     1.177  100.000   97.679
LGA    L    37_B      L    37_A     0.377     0    0.049   0.940     2.518   95.238   86.488
LGA    D    38_B      D    38_A     0.921     0    0.028   0.197     2.128   88.214   80.595
LGA    L    39_B      L    39_A     0.891     0    0.033   0.839     3.498   90.476   82.083
LGA    Y    40_B      Y    40_A     0.566     0    0.086   0.268     1.684   95.238   86.865
LGA    G    41_B      G    41_A     0.261     0    0.053   0.053     0.389  100.000  100.000
LGA    P    42_B      P    42_A     0.402     0    0.042   0.357     1.820   97.619   92.041
LGA    G    43_B      G    43_A     0.602     0    0.048   0.048     0.946   90.476   90.476
LGA    G    44_B      G    44_A     0.820     0    0.040   0.040     1.087   85.952   85.952
LGA    K    45_B      K    45_A     1.632     0    0.097   1.406     9.660   72.976   47.672
LGA    I    46_B      I    46_A     1.736     0    0.081   1.162     4.981   72.857   61.488
LGA    T    47_B      T    47_A     1.172     0    0.073   0.971     2.886   81.429   74.490
LGA    E    48_B      E    48_A     0.962     0    0.159   0.466     2.315   88.214   79.788
LGA    N    49_B      N    49_A     1.525     0    0.084   0.851     3.296   77.143   69.167
LGA    L    50_B      L    50_A     0.714     0    0.032   0.213     1.027   92.857   90.536
LGA    K    51_B      K    51_A     0.767     0    0.124   0.883     5.451   85.952   65.185
LGA    N    52_B      N    52_A     1.195     0    0.263   0.359     2.473   77.262   79.345
LGA    R    53_B      R    53_A     0.617     0    0.014   0.282     1.441   90.476   88.009
LGA    T    54_B      T    54_A     0.649     0    0.049   0.054     0.928   90.476   90.476
LGA    Q    55_B      Q    55_A     0.731     0    0.032   1.091     3.538   90.476   82.275
LGA    V    56_B      V    56_A     0.813     0    0.049   1.027     2.323   90.476   84.286
LGA    Q    57_B      Q    57_A     0.874     0    0.038   0.594     1.601   90.476   85.556
LGA    L    58_B      L    58_A     0.795     0    0.025   0.159     0.854   90.476   92.857
LGA    K    59_B      K    59_A     0.713     0    0.050   1.355     5.689   90.476   74.603
LGA    D    60_B      D    60_A     0.840     0    0.069   0.215     1.310   88.214   88.214
LGA    K    61_B      K    61_A     0.822     0    0.043   0.666     1.906   90.476   85.503
LGA    A    62_B      A    62_A     0.886     0    0.085   0.085     1.193   88.214   88.667
LGA    R    63_B      R    63_A     0.869     0    0.082   0.965     3.116   90.476   72.381
LGA    N    64_B      N    64_A     1.364     0    0.502   0.658     3.168   71.429   73.274
LGA    W    65_B      W    65_A     1.283     0    0.061   1.406     3.892   75.119   70.646
LGA    K    66_B      K    66_A     2.818     0    0.059   0.827     7.565   53.810   40.370
LGA    L    67_B      L    67_A     4.071     0    0.046   0.121     5.035   38.929   35.238
LGA    Q    68_B      Q    68_A     3.607     0    0.039   1.289     4.067   41.786   48.042
LGA    Y    69_B      Y    69_A     3.493     0    0.046   1.520    10.915   42.143   27.460
LGA    L    70_B      L    70_A     5.318     0    0.036   1.065     6.572   24.048   23.512
LGA    K    71_B      K    71_A     6.048     0    0.464   1.592     7.779   14.643   21.376
LGA    S    72_B      S    72_A     9.347     0    0.711   0.768    12.932    1.548    1.746
LGA    G    73_B      G    73_A    16.656     0    0.149   0.149    19.490    0.000    0.000
LGA    K    74_B      K    74_A    15.667     0    0.049   0.935    18.544    0.000    0.000
LGA    P    75_B      P    75_A    16.577     0    0.054   0.113    19.503    0.000    0.000
LGA    L    76_B      L    76_A    12.497     0    0.129   0.947    14.214    0.000    0.357
LGA    P    77_B      P    77_A    11.984     0    0.071   0.186    12.080    0.000    0.000
LGA    D    78_B      D    78_A    13.439     0    0.041   0.777    15.863    0.000    0.000
LGA    Y    79_B      Y    79_A    10.411     0    0.210   1.323    11.378    0.833    0.913
LGA    L    80_B      L    80_A     9.146     0    0.151   0.205     9.833    0.952    4.881
LGA    I    81_B      I    81_A    11.766     0    0.046   0.706    14.320    0.000    0.000
LGA    K    82_B      K    82_A    12.973     0    0.269   1.602    14.011    0.000    0.000
LGA    V    83_B      V    83_A     9.134     0    0.137   1.140    10.249    0.595    4.694
LGA    T    84_B      T    84_A    11.925     0    0.069   1.081    15.950    0.119    0.068
LGA    G    85_B      G    85_A    10.276     0    0.281   0.281    10.957    1.905    1.905
LGA    N    86_B      N    86_A     8.588     0    0.154   1.145    11.826    1.429    3.690
LGA    L    87_B      L    87_A    13.075     0    0.120   0.645    15.933    0.000    0.000
LGA    E    88_B      E    88_A    13.797     0    0.088   0.915    15.050    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):     6.495          6.446                  7.152           59.149   55.216

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     59    1.47    68.675    67.637     3.761

LGA_LOCAL      RMSD:   1.469  Number of atoms:   59  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.307  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   6.495  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.260093 * X  +  -0.431352 * Y  +  -0.863879 * Z  +  67.337601
  Y_new =  -0.734480 * X  +  -0.492396 * Y  +   0.466997 * Z  +  53.099499
  Z_new =  -0.626810 * X  +   0.755964 * Y  +  -0.188750 * Z  + -29.021587 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.911136  0.677453  1.815475   [DEG: -109.5000   38.8152  104.0190 ]
ZXZ: -2.066380  1.760685 -0.692266   [DEG: -118.3948  100.8798  -39.6639 ]
 
# END of job
