
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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:    78      15_A - 92_A        4.67    16.05
  LCS_AVERAGE:     82.28

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.80    16.51
  LCS_AVERAGE:     73.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      57_A - 83_A        0.99    16.64
  LONGEST_CONTINUOUS_SEGMENT:    27      58_A - 84_A        0.95    16.70
  LCS_AVERAGE:     22.30

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     K    15_A     K    15_A     19   74   78      4    9   16   32   52   66   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    16_A     L    16_A     19   74   78      6   16   41   61   66   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    17_A     I    17_A     19   74   78     11   45   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    18_A     I    18_A     19   74   78     24   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    19_A     K    19_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    20_A     A    20_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    22_A     L    22_A     19   74   78     15   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    23_A     G    23_A     19   74   78      4   11   41   62   66   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    24_A     E    24_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    25_A     D    25_A     19   74   78      8   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    26_A     I    26_A     19   74   78     10   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    27_A     R    27_A     19   74   78     17   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    28_A     R    28_A     19   74   78     19   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    29_A     I    29_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     P    30_A     P    30_A     19   74   78      6   25   55   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    31_A     I    31_A     19   74   78      6   34   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     H    32_A     H    32_A     19   74   78      9   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     N    33_A     N    33_A     19   74   78     24   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    34_A     E    34_A     17   74   78      3    3    4   18   30   57   67   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    35_A     D    35_A     19   74   78     11   37   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    36_A     I    36_A     19   74   78      5   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    37_A     T    37_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    39_A     D    39_A     19   74   78     21   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    40_A     E    40_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    41_A     L    41_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    42_A     V    42_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    43_A     L    43_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     M    44_A     M    44_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     M    45_A     M    45_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    47_A     R    47_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    48_A     V    48_A     19   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    49_A     F    49_A     19   74   78     15   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    50_A     R    50_A     19   74   78      9   41   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    51_A     G    51_A     19   74   78     10   44   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    52_A     K    52_A     19   74   78      9   33   54   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    53_A     L    53_A     19   74   78      3   27   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    54_A     L    54_A     13   74   78      4    6   39   60   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    55_A     S    55_A     13   74   78      4    8   23   59   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     N    56_A     N    56_A     13   74   78      4   19   50   61   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    57_A     D    57_A     27   74   78      7   39   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    58_A     E    58_A     27   74   78     19   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     V    59_A     V    59_A     27   74   78     24   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    60_A     T    60_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    61_A     I    61_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    62_A     K    62_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     K    64_A     K    64_A     27   74   78     24   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    65_A     A    65_A     27   74   78     24   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     E    66_A     E    66_A     27   74   78     21   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    67_A     R    67_A     27   74   78      4   21   51   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     G    68_A     G    68_A     27   74   78      4   26   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    69_A     D    69_A     27   74   78      6   32   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    70_A     L    70_A     27   74   78      5   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    71_A     I    71_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     T    72_A     T    72_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    73_A     I    73_A     27   74   78     24   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    74_A     F    74_A     27   74   78      4   36   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    75_A     D    75_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    76_A     S    76_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    77_A     S    77_A     27   74   78     15   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     D    78_A     D    78_A     27   74   78     19   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    79_A     L    79_A     27   74   78     19   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    80_A     S    80_A     27   74   78      8   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     F    81_A     F    81_A     27   74   78     25   46   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     A    82_A     A    82_A     27   74   78      6   42   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    83_A     I    83_A     27   74   78      6   41   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     27   74   78     15   41   56   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     C    85_A     C    85_A     17   74   78      4   28   52   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     S    86_A     S    86_A     17   74   78      3   28   51   63   68   70   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     R    87_A     R    87_A     10   74   78      8   10   22   38   61   68   71   73   73   73   73   74   74   74   74   74   75   75   75   76 
LCS_GDT     I    88_A     I    88_A     10   74   78      8   10   10   10   10   16   25   32   45   58   71   74   74   74   74   74   75   75   75   76 
LCS_GDT     L    89_A     L    89_A     10   11   78      5   10   10   10   10   11   13   14   14   15   17   23   34   44   54   67   75   75   75   76 
LCS_GDT     K    90_A     K    90_A     10   11   78      8   10   10   10   10   10   13   14   14   15   17   21   26   30   39   46   54   61   70   76 
LCS_GDT     L    91_A     L    91_A     10   11   78      8   10   10   10   10   11   13   14   14   15   17   18   19   21   22   23   25   27   27   29 
LCS_GDT     T    92_A     T    92_A     10   11   78      8   10   10   10   10   10   13   14   14   15   17   18   19   21   22   23   25   27   27   29 
LCS_GDT     L    93_A     L    93_A     10   11   17      8   10   10   10   10   11   13   14   14   15   17   18   19   21   22   23   25   27   27   29 
LCS_GDT     F    94_A     F    94_A     10   11   17      8   10   10   10   10   11   13   14   14   15   17   18   19   21   22   23   25   27   27   29 
LCS_GDT     V    95_A     V    95_A     10   11   17      8   10   10   10   10   11   13   14   14   15   17   18   19   21   22   23   25   27   27   29 
LCS_GDT     N    96_A     N    96_A     10   11   17      4   10   10   10   10   11   13   14   14   15   17   18   19   21   22   23   24   27   27   29 
LCS_GDT     G    97_A     G    97_A      4    5   17      2    4    4    4    7    8   13   14   14   15   17   18   19   21   22   23   25   27   27   29 
LCS_GDT     Q    98_A     Q    98_A      4    5   17      3    4    4    4    5    5    8   10   12   15   17   18   19   21   22   23   25   27   27   29 
LCS_GDT     P    99_A     P    99_A      4    5   17      3    4    4    4    5    5    5    6    6    6    6    9   12   17   22   23   25   27   27   29 
LCS_GDT     R   100_A     R   100_A      4    5   17      3    4    4    4    5    5    5    6    6   10   12   14   16   19   20   22   23   23   24   27 
LCS_GDT     P   101_A     P   101_A      4    5    8      3    4    4    4    5    5    5    6    6    6    6    7   15   19   19   22   23   23   23   26 
LCS_AVERAGE  LCS_A:  59.48  (  22.30   73.84   82.28 )

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     25     46     56     63     68     70     71     73     73     73     73     74     74     74     74     74     75     75     75     76 
GDT PERCENT_AT  28.74  52.87  64.37  72.41  78.16  80.46  81.61  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  86.21  86.21  86.21  87.36
GDT RMS_LOCAL    0.33   0.58   0.80   0.99   1.20   1.27   1.35   1.52   1.52   1.52   1.52   1.80   1.80   1.80   1.80   1.80   2.24   2.24   2.24   2.80
GDT RMS_ALL_AT  16.56  16.60  16.63  16.56  16.54  16.52  16.52  16.53  16.53  16.53  16.53  16.51  16.51  16.51  16.51  16.51  16.44  16.44  16.44  16.35

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  F    74_A      F    74_A
#   possible swapping detected:  D    78_A      D    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     4.013     0    0.465   1.342     5.315   35.952   43.492
LGA    L    16_A      L    16_A     2.487     0    0.013   0.134     3.184   59.167   62.143
LGA    I    17_A      I    17_A     1.016     0    0.067   1.165     3.030   85.952   76.607
LGA    I    18_A      I    18_A     0.599     0    0.028   0.092     1.044   92.857   89.405
LGA    K    19_A      K    19_A     0.368     0    0.060   0.626     1.585  100.000   92.804
LGA    A    20_A      A    20_A     0.603     0    0.067   0.064     0.661   95.238   94.286
LGA    Q    21_A      Q    21_A     0.785     0    0.057   0.349     1.700   90.476   87.513
LGA    L    22_A      L    22_A     1.101     0    0.144   0.137     1.269   83.690   84.821
LGA    G    23_A      G    23_A     2.616     0    0.631   0.631     4.801   54.643   54.643
LGA    E    24_A      E    24_A     0.255     0    0.179   0.816     6.062   92.976   68.095
LGA    D    25_A      D    25_A     1.187     0    0.060   0.882     4.368   88.214   69.524
LGA    I    26_A      I    26_A     1.129     0    0.054   0.112     1.326   81.429   82.560
LGA    R    27_A      R    27_A     1.160     0    0.069   1.206     2.816   85.952   78.701
LGA    R    28_A      R    28_A     0.648     0    0.112   1.237     3.312   92.857   79.654
LGA    I    29_A      I    29_A     0.292     0    0.087   1.445     4.383   92.976   77.500
LGA    P    30_A      P    30_A     1.654     0    0.150   0.731     2.624   75.238   71.973
LGA    I    31_A      I    31_A     1.686     0    0.081   0.573     3.619   70.833   66.131
LGA    H    32_A      H    32_A     1.090     0    0.539   1.227     4.789   71.429   61.762
LGA    N    33_A      N    33_A     0.470     0    0.153   0.252     3.884   76.310   66.071
LGA    E    34_A      E    34_A     4.650     0    0.168   0.377    10.102   40.476   20.582
LGA    D    35_A      D    35_A     1.710     0    0.526   1.304     4.278   71.310   60.893
LGA    I    36_A      I    36_A     0.745     0    0.086   0.161     2.627   92.857   80.893
LGA    T    37_A      T    37_A     0.496     0    0.081   0.080     0.715   97.619   94.558
LGA    Y    38_A      Y    38_A     0.488     0    0.052   0.154     0.855   97.619   93.651
LGA    D    39_A      D    39_A     0.707     0    0.040   0.191     1.485   92.857   88.274
LGA    E    40_A      E    40_A     0.697     0    0.025   0.257     1.737   90.476   87.513
LGA    L    41_A      L    41_A     0.440     0    0.027   0.090     0.586  100.000   98.810
LGA    V    42_A      V    42_A     0.453     0    0.032   0.060     0.476  100.000  100.000
LGA    L    43_A      L    43_A     0.478     0    0.025   0.131     0.732   97.619   94.048
LGA    M    44_A      M    44_A     0.397     0    0.032   0.698     2.527  100.000   85.833
LGA    M    45_A      M    45_A     0.406     0    0.054   0.661     2.228   95.238   90.833
LGA    Q    46_A      Q    46_A     0.766     0    0.100   1.181     4.993   88.214   77.407
LGA    R    47_A      R    47_A     0.714     0    0.040   1.187     3.904   90.476   78.745
LGA    V    48_A      V    48_A     0.603     0    0.097   1.193     2.747   90.476   82.041
LGA    F    49_A      F    49_A     1.139     0    0.376   0.308     3.117   73.690   83.550
LGA    R    50_A      R    50_A     1.636     0    0.520   1.878     4.577   73.690   63.030
LGA    G    51_A      G    51_A     0.925     0    0.095   0.095     2.860   77.738   77.738
LGA    K    52_A      K    52_A     1.756     0    0.166   1.232     5.471   77.143   58.466
LGA    L    53_A      L    53_A     1.549     0    0.114   0.095     2.587   71.310   72.143
LGA    L    54_A      L    54_A     2.813     0    0.052   0.109     3.931   60.952   55.536
LGA    S    55_A      S    55_A     3.260     0    0.029   0.037     4.051   51.786   47.937
LGA    N    56_A      N    56_A     2.732     0    0.146   0.712     3.715   57.143   56.369
LGA    D    57_A      D    57_A     1.626     0    0.051   0.229     3.188   75.119   71.190
LGA    E    58_A      E    58_A     0.566     0    0.043   0.596     2.676   95.238   82.275
LGA    V    59_A      V    59_A     0.451     0    0.058   0.153     0.941   92.857   93.197
LGA    T    60_A      T    60_A     0.711     0    0.069   0.217     1.306   95.238   91.905
LGA    I    61_A      I    61_A     0.705     0    0.062   0.073     1.395   92.857   87.143
LGA    K    62_A      K    62_A     0.566     0    0.080   0.148     0.859   92.857   91.534
LGA    Y    63_A      Y    63_A     0.300     0    0.076   0.244     2.174  100.000   85.595
LGA    K    64_A      K    64_A     0.517     0    0.114   0.240     2.469   95.238   86.772
LGA    A    65_A      A    65_A     0.464     0    0.157   0.227     2.215   86.548   87.333
LGA    E    66_A      E    66_A     0.547     0    0.616   0.750     2.680   84.524   75.397
LGA    R    67_A      R    67_A     2.552     0    0.437   1.275    12.212   66.905   32.338
LGA    G    68_A      G    68_A     2.112     0    0.043   0.043     2.112   68.810   68.810
LGA    D    69_A      D    69_A     1.882     0    0.103   0.970     2.360   81.786   74.286
LGA    L    70_A      L    70_A     1.096     0    0.072   1.361     3.113   85.952   76.607
LGA    I    71_A      I    71_A     0.459     0    0.101   1.075     2.259  100.000   85.595
LGA    T    72_A      T    72_A     0.081     0    0.058   1.067     2.799   97.619   87.483
LGA    I    73_A      I    73_A     0.753     0    0.034   1.062     2.809   85.952   76.905
LGA    F    74_A      F    74_A     1.570     0    0.202   0.160     5.360   83.810   56.320
LGA    D    75_A      D    75_A     0.463     0    0.087   0.995     2.860   92.857   84.107
LGA    S    76_A      S    76_A     0.238     0    0.059   0.620     2.625  100.000   92.857
LGA    S    77_A      S    77_A     0.949     0    0.052   0.196     2.272   92.857   84.841
LGA    D    78_A      D    78_A     0.842     0    0.046   0.160     1.401   90.476   85.952
LGA    L    79_A      L    79_A     0.703     0    0.069   0.342     0.915   90.476   91.667
LGA    S    80_A      S    80_A     0.743     0    0.041   0.703     1.941   92.857   87.619
LGA    F    81_A      F    81_A     0.836     0    0.026   0.153     3.306   90.476   70.909
LGA    A    82_A      A    82_A     1.267     0    0.177   0.179     1.769   81.548   81.524
LGA    I    83_A      I    83_A     1.191     0    0.030   0.180     3.676   85.952   72.738
LGA    Q    84_A      Q    84_A     1.634     0    0.012   1.099     6.677   72.976   51.693
LGA    C    85_A      C    85_A     2.091     0    0.194   0.207     2.968   68.810   64.921
LGA    S    86_A      S    86_A     2.149     0    0.615   0.712     5.242   64.881   54.841
LGA    R    87_A      R    87_A     3.973     0    0.571   1.077     8.503   27.381   25.152
LGA    I    88_A      I    88_A     8.492     0    0.089   1.180    13.311    9.524    5.000
LGA    L    89_A      L    89_A    11.991     0    0.045   0.110    17.591    0.000    0.000
LGA    K    90_A      K    90_A    15.164     0    0.072   0.894    17.183    0.000    0.000
LGA    L    91_A      L    91_A    22.019     0    0.057   0.909    23.850    0.000    0.000
LGA    T    92_A      T    92_A    26.525     0    0.084   0.094    29.924    0.000    0.000
LGA    L    93_A      L    93_A    33.913     0    0.161   1.311    37.162    0.000    0.000
LGA    F    94_A      F    94_A    39.137     0    0.170   0.165    42.692    0.000    0.000
LGA    V    95_A      V    95_A    46.153     0    0.086   1.107    48.192    0.000    0.000
LGA    N    96_A      N    96_A    52.028     0    0.269   0.253    53.584    0.000    0.000
LGA    G    97_A      G    97_A    51.862     0    0.298   0.298    52.190    0.000    0.000
LGA    Q    98_A      Q    98_A    52.164     0    0.306   0.598    53.285    0.000    0.000
LGA    P    99_A      P    99_A    51.442     0    0.072   0.152    53.034    0.000    0.000
LGA    R   100_A      R   100_A    53.744     0    0.205   0.992    55.225    0.000    0.000
LGA    P   101_A      P   101_A    59.264     0    0.760   0.965    62.642    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    14.180         14.282                 14.048           69.624   63.460

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.52    73.563    76.168     4.512

LGA_LOCAL      RMSD:   1.518  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.532  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  14.180  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.661371 * X  +  -0.627002 * Y  +   0.411651 * Z  +  -7.481525
  Y_new =  -0.578932 * X  +  -0.077783 * Y  +   0.811657 * Z  + -27.525726
  Z_new =  -0.476891 * X  +  -0.775125 * Y  +  -0.414435 * Z  + 116.303925 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.719029  0.497114 -2.061793   [DEG:  -41.1973   28.4826 -118.1320 ]
ZXZ:  2.672223  1.998119 -2.590039   [DEG:  153.1071  114.4838 -148.3983 ]
 
# END of job
