
#######################################################
#                                                     #
#                        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   86 (  712),  selected   86 , name one
# Molecule2: number of CA atoms  260 ( 2069),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86      25_B - 110_B       4.90     4.90
  LCS_AVERAGE:     33.08

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52      43_B - 94_B        1.86     5.53
  LONGEST_CONTINUOUS_SEGMENT:    52      44_B - 95_B        1.76     5.85
  LCS_AVERAGE:     14.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      46_B - 94_B        0.97     5.77
  LCS_AVERAGE:     12.46

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     N    25_B     N    25_B     15   17   86      5   13   16   18   46   58   62   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     Y    26_B     Y    26_B     15   17   86      7   13   28   47   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     E    27_B     E    27_B     15   17   86      7   13   34   51   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     N    28_B     N    28_B     15   17   86      7   13   19   43   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     V    29_B     V    29_B     15   17   86      7   13   24   47   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     L    30_B     L    30_B     15   17   86     13   38   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     H    31_B     H    31_B     15   17   86     13   38   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     L    32_B     L    32_B     15   17   86     13   41   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     T    33_B     T    33_B     15   17   86     12   38   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     D    34_B     D    34_B     15   17   86     14   41   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     A    35_B     A    35_B     15   17   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     L    36_B     L    36_B     15   17   86     23   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     G    37_B     G    37_B     15   17   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     A    38_B     A    38_B     15   17   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     L    39_B     L    39_B     15   17   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     V    40_B     V    40_B     15   17   86     14   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     P    41_B     P    41_B      5   17   86      3   26   30   32   42   59   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     E    42_B     E    42_B      5    6   86      3    5    5    5    7    9   15   51   56   60   65   70   70   71   76   78   80   82   84   85 
LCS_GDT     S    43_B     S    43_B      5   52   86      3    5   21   30   31   35   45   51   59   66   67   70   70   73   76   78   80   82   84   85 
LCS_GDT     E    44_B     E    44_B      3   52   86      0    3    3    9   13   22   49   64   67   67   68   70   70   73   76   78   80   82   84   85 
LCS_GDT     T    45_B     T    45_B      3   52   86      1    3    3    4    4    5   10   14   28   42   68   70   70   71   71   77   80   82   82   85 
LCS_GDT     E    46_B     E    46_B     49   52   86      3   11   19   35   52   59   62   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     H    47_B     H    47_B     49   52   86      7   31   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     P    48_B     P    48_B     49   52   86      7   31   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     D    49_B     D    49_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     Q    50_B     Q    50_B     49   52   86     21   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     R    51_B     R    51_B     49   52   86     21   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     F    52_B     F    52_B     49   52   86     17   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     F    53_B     F    53_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     Q    54_B     Q    54_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     V    55_B     V    55_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     T    56_B     T    56_B     49   52   86     15   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     H    57_B     H    57_B     49   52   86     15   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     L    58_B     L    58_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     I    59_B     I    59_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     T    60_B     T    60_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     E    61_B     E    61_B     49   52   86     20   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     Y    62_B     Y    62_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     A    63_B     A    63_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     W    64_B     W    64_B     49   52   86     15   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     V    65_B     V    65_B     49   52   86     20   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     Q    66_B     Q    66_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     V    67_B     V    67_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     H    68_B     H    68_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     Y    69_B     Y    69_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     E    70_B     E    70_B     49   52   86     25   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     L    71_B     L    71_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     R    72_B     R    72_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     R    73_B     R    73_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     A    74_B     A    74_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     I    75_B     I    75_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     G    76_B     G    76_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     H    77_B     H    77_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     L    78_B     L    78_B     49   52   86     21   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     D    79_B     D    79_B     49   52   86     21   41   49   56   58   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     E    80_B     E    80_B     49   52   86      5   28   49   56   58   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     D    81_B     D    81_B     49   52   86     21   39   50   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     R    82_B     R    82_B     49   52   86     21   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     Y    83_B     Y    83_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     H    84_B     H    84_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   72   77   78   80   82   84   85 
LCS_GDT     Q    85_B     Q    85_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     A    86_B     A    86_B     49   52   86     28   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     V    87_B     V    87_B     49   52   86     21   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     R    88_B     R    88_B     49   52   86     18   41   50   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     M    89_B     M    89_B     49   52   86     18   43   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     F    90_B     F    90_B     49   52   86     21   42   51   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     D    91_B     D    91_B     49   52   86     21   41   50   56   58   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     R    92_B     R    92_B     49   52   86     21   41   50   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     A    93_B     A    93_B     49   52   86     21   40   50   56   59   62   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     T    94_B     T    94_B     49   52   86     14   35   49   54   58   61   63   65   67   67   68   70   70   73   77   78   80   82   84   85 
LCS_GDT     G    95_B     G    95_B      3   52   86      0    3    8   12   26   29   32   38   51   57   61   64   67   71   77   78   80   82   84   85 
LCS_GDT     L    96_B     L    96_B      4    5   86      4    4    4    5    5    5    8   10   12   13   24   33   34   37   40   43   51   61   69   84 
LCS_GDT     S    97_B     S    97_B      4    5   86      4    4    4    5    6    6    8   28   31   32   34   36   39   45   56   65   80   82   84   85 
LCS_GDT     E    98_B     E    98_B      4    5   86      4    4    4    5    6    6   26   28   31   32   34   39   47   56   63   70   80   82   84   85 
LCS_GDT     V    99_B     V    99_B      4    5   86      4    4    4    5    9   13   26   28   31   32   34   37   40   46   66   72   80   82   84   85 
LCS_GDT     T   100_B     T   100_B      4    5   86      0    3    4    5    6    6    8   10   22   32   36   52   67   71   77   78   80   82   84   85 
LCS_GDT     V   101_B     V   101_B     10   10   86      4    6   10   10   10   13   13   13   14   30   34   41   67   73   77   78   80   82   84   85 
LCS_GDT     Q   102_B     Q   102_B     10   10   86      4    9   10   10   10   13   18   20   25   30   44   55   66   73   77   78   80   82   84   85 
LCS_GDT     A   103_B     A   103_B     10   10   86      4    9   10   10   10   13   13   13   25   30   34   41   46   64   77   78   80   82   84   85 
LCS_GDT     V   104_B     V   104_B     10   10   86      4    9   10   10   10   13   13   20   25   30   34   41   46   64   77   78   80   82   84   85 
LCS_GDT     R   105_B     R   105_B     10   10   86      5    9   10   10   10   13   18   20   25   30   44   49   65   73   77   78   80   82   84   85 
LCS_GDT     L   106_B     L   106_B     10   10   86      5    9   10   10   10   13   18   20   25   30   34   46   55   71   77   78   80   82   84   85 
LCS_GDT     L   107_B     L   107_B     10   10   86      5    9   10   10   10   13   13   13   25   30   34   41   46   55   65   78   80   82   84   85 
LCS_GDT     T   108_B     T   108_B     10   10   86      5    9   10   10   10   13   18   20   25   36   44   49   62   73   77   78   80   82   84   85 
LCS_GDT     D   109_B     D   109_B     10   10   86      5    9   10   10   10   13   18   23   33   37   44   56   66   73   77   78   80   82   84   85 
LCS_GDT     H   110_B     H   110_B     10   10   86      3    9   10   10   10   13   13   13   25   30   44   49   62   73   77   78   80   82   84   85 
LCS_AVERAGE  LCS_A:  19.91  (  12.46   14.20   33.08 )

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     28     43     51     56     59     62     63     65     67     67     68     70     70     73     77     78     80     82     84     85 
GDT PERCENT_AT  10.77  16.54  19.62  21.54  22.69  23.85  24.23  25.00  25.77  25.77  26.15  26.92  26.92  28.08  29.62  30.00  30.77  31.54  32.31  32.69
GDT RMS_LOCAL    0.36   0.52   0.80   0.94   1.29   1.39   1.45   1.64   1.83   1.83   1.97   2.27   2.27   3.40   4.00   3.90   4.06   4.29   4.67   4.72
GDT RMS_ALL_AT   5.41   5.43   5.31   5.31   5.27   5.26   5.25   5.26   5.22   5.22   5.25   5.21   5.21   4.99   4.94   4.96   4.95   4.93   4.90   4.90

# Checking swapping
#   possible swapping detected:  F    53_B      F    53_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  E    80_B      E    80_B
#   possible swapping detected:  E    98_B      E    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    25_B      N    25_B     4.502     0    0.638   0.732     7.313   33.690   33.095
LGA    Y    26_B      Y    26_B     2.987     0    0.033   0.161     3.598   55.595   58.571
LGA    E    27_B      E    27_B     2.601     0    0.026   0.624     5.654   61.190   46.878
LGA    N    28_B      N    28_B     3.218     0    0.018   1.129     7.093   51.786   37.143
LGA    V    29_B      V    29_B     2.979     0    0.046   1.027     5.270   59.167   55.102
LGA    L    30_B      L    30_B     0.655     0    0.169   1.027     2.362   88.214   86.310
LGA    H    31_B      H    31_B     0.746     0    0.037   0.477     2.221   90.476   80.857
LGA    L    32_B      L    32_B     0.554     0    0.035   1.358     3.714   92.857   80.357
LGA    T    33_B      T    33_B     0.432     0    0.038   1.000     2.770  100.000   86.395
LGA    D    34_B      D    34_B     0.618     0    0.033   0.778     3.912   90.595   74.583
LGA    A    35_B      A    35_B     0.930     0    0.042   0.047     1.176   85.952   85.048
LGA    L    36_B      L    36_B     1.155     0    0.033   0.142     1.653   81.548   80.417
LGA    G    37_B      G    37_B     1.446     0    0.088   0.088     2.094   75.119   75.119
LGA    A    38_B      A    38_B     1.177     0    0.067   0.063     1.367   85.952   85.048
LGA    L    39_B      L    39_B     0.823     0    0.168   0.938     2.736   77.619   73.274
LGA    V    40_B      V    40_B     1.262     0    0.105   1.102     5.110   75.833   58.707
LGA    P    41_B      P    41_B     4.891     0    0.024   0.103     7.359   47.619   35.034
LGA    E    42_B      E    42_B     7.503     0    0.022   0.429    16.054   12.738    5.661
LGA    S    43_B      S    43_B     7.608     0    0.651   0.854    11.272   20.119   13.492
LGA    E    44_B      E    44_B     5.412     0    0.663   0.762     9.984   19.524   13.175
LGA    T    45_B      T    45_B     6.305     0    0.567   1.061     9.111   31.190   21.497
LGA    E    46_B      E    46_B     4.394     0    0.712   1.241    11.175   40.476   19.418
LGA    H    47_B      H    47_B     1.298     0    0.089   1.121     2.901   81.786   76.762
LGA    P    48_B      P    48_B     1.290     0    0.071   0.178     1.863   83.690   81.565
LGA    D    49_B      D    49_B     1.134     0    0.176   0.160     2.751   90.595   76.786
LGA    Q    50_B      Q    50_B     0.228     0    0.047   0.794     2.563  100.000   89.101
LGA    R    51_B      R    51_B     0.638     0    0.039   1.280     9.563   90.476   55.325
LGA    F    52_B      F    52_B     1.177     0    0.025   0.337     3.415   83.690   69.004
LGA    F    53_B      F    53_B     1.106     0    0.052   0.152     1.293   81.429   83.074
LGA    Q    54_B      Q    54_B     0.579     0    0.042   1.161     4.850   90.476   79.259
LGA    V    55_B      V    55_B     0.487     0    0.039   0.895     2.966   95.238   84.762
LGA    T    56_B      T    56_B     1.267     0    0.066   1.161     4.377   81.429   72.653
LGA    H    57_B      H    57_B     1.150     0    0.050   0.103     2.297   85.952   77.333
LGA    L    58_B      L    58_B     0.469     0    0.040   1.094     3.804   97.619   85.893
LGA    I    59_B      I    59_B     0.350     0    0.027   1.372     4.113  100.000   79.345
LGA    T    60_B      T    60_B     0.592     0    0.043   0.951     2.954   92.857   82.313
LGA    E    61_B      E    61_B     0.988     0    0.057   0.967     7.577   90.476   58.942
LGA    Y    62_B      Y    62_B     0.648     0    0.037   0.578     2.352   95.238   82.579
LGA    A    63_B      A    63_B     0.122     0    0.034   0.053     0.486  100.000  100.000
LGA    W    64_B      W    64_B     0.979     0    0.071   1.179     9.701   90.476   43.299
LGA    V    65_B      V    65_B     1.323     0    0.069   1.021     2.699   85.952   76.939
LGA    Q    66_B      Q    66_B     0.812     0    0.024   1.341     5.824   92.857   66.402
LGA    V    67_B      V    67_B     0.341     0    0.027   0.945     2.671  100.000   88.844
LGA    H    68_B      H    68_B     0.477     0    0.047   1.125     2.215   92.857   84.571
LGA    Y    69_B      Y    69_B     0.827     0    0.039   0.101     2.142   90.476   80.198
LGA    E    70_B      E    70_B     0.753     0    0.067   0.306     2.217   95.238   83.810
LGA    L    71_B      L    71_B     0.312     0    0.039   1.376     3.787   97.619   81.964
LGA    R    72_B      R    72_B     0.778     0    0.055   1.278     5.419   90.476   75.368
LGA    R    73_B      R    73_B     0.920     0    0.037   0.222     1.535   90.476   83.939
LGA    A    74_B      A    74_B     0.336     0    0.062   0.062     0.778   95.238   96.190
LGA    I    75_B      I    75_B     0.991     0    0.031   0.975     3.334   85.952   73.690
LGA    G    76_B      G    76_B     1.488     0    0.027   0.027     1.694   79.286   79.286
LGA    H    77_B      H    77_B     1.240     0    0.057   0.194     2.144   79.286   79.000
LGA    L    78_B      L    78_B     1.570     0    0.038   0.813     4.777   70.952   60.179
LGA    D    79_B      D    79_B     2.986     0    0.108   0.232     3.924   55.476   50.238
LGA    E    80_B      E    80_B     3.200     0    0.187   1.051     8.221   57.262   37.302
LGA    D    81_B      D    81_B     2.000     0    0.060   0.348     2.925   72.976   68.929
LGA    R    82_B      R    82_B     1.331     0    0.115   1.246     7.333   83.810   55.368
LGA    Y    83_B      Y    83_B     0.463     0    0.025   1.418     8.277   97.619   61.111
LGA    H    84_B      H    84_B     0.934     0    0.032   1.167     6.430   85.952   57.810
LGA    Q    85_B      Q    85_B     1.118     0    0.072   1.406     4.992   81.429   67.831
LGA    A    86_B      A    86_B     0.408     0    0.059   0.058     0.665   92.857   94.286
LGA    V    87_B      V    87_B     1.372     0    0.043   1.208     3.843   79.405   74.898
LGA    R    88_B      R    88_B     1.872     0    0.081   1.382     6.407   70.833   55.065
LGA    M    89_B      M    89_B     1.171     0    0.046   0.320     1.989   81.429   82.619
LGA    F    90_B      F    90_B     1.334     0    0.036   0.217     1.898   77.143   79.870
LGA    D    91_B      D    91_B     2.434     0    0.081   0.298     3.094   61.190   61.071
LGA    R    92_B      R    92_B     2.506     0    0.034   0.188     3.294   60.952   57.922
LGA    A    93_B      A    93_B     1.924     0    0.036   0.038     2.375   66.786   68.000
LGA    T    94_B      T    94_B     3.450     0    0.496   0.940     5.834   43.929   35.646
LGA    G    95_B      G    95_B     8.666     0    0.584   0.584    11.425    3.214    3.214
LGA    L    96_B      L    96_B    13.868     0    0.643   1.008    19.872    0.000    0.000
LGA    S    97_B      S    97_B    11.273     0    0.060   0.693    12.409    0.119    0.079
LGA    E    98_B      E    98_B    11.544     0    0.118   1.211    12.508    0.000    0.000
LGA    V    99_B      V    99_B    12.780     0    0.615   0.871    16.947    0.000    0.000
LGA    T   100_B      T   100_B    10.785     0    0.594   0.555    12.280    0.000    1.633
LGA    V   101_B      V   101_B    10.255     0    0.569   0.617    12.217    0.357    0.204
LGA    Q   102_B      Q   102_B    10.329     0    0.076   1.375    10.716    0.000    3.122
LGA    A   103_B      A   103_B    11.270     0    0.068   0.066    11.442    0.000    0.000
LGA    V   104_B      V   104_B    11.399     0    0.057   0.159    11.536    0.000    0.000
LGA    R   105_B      R   105_B    10.851     0    0.092   1.100    13.293    0.000    0.303
LGA    L   106_B      L   106_B    11.058     0    0.041   1.375    11.297    0.000    0.536
LGA    L   107_B      L   107_B    11.840     0    0.043   0.967    12.116    0.000    0.000
LGA    T   108_B      T   108_B    11.060     0    0.020   1.038    12.669    0.000    0.000
LGA    D   109_B      D   109_B    10.402     0    0.118   1.168    10.666    0.000    2.798
LGA    H   110_B      H   110_B    10.370     0    0.267   1.166    13.384    0.000    0.095

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     712    712  100.00               260
SUMMARY(RMSD_GDC):     4.895          4.821                  5.388           20.877   18.129

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   86  260    4.0     65    1.64    23.269    21.400     3.732

LGA_LOCAL      RMSD:   1.642  Number of atoms:   65  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.257  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   4.895  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.178896 * X  +  -0.309093 * Y  +  -0.934055 * Z  +   9.390596
  Y_new =  -0.870868 * X  +  -0.491500 * Y  +  -0.004149 * Z  +   0.436906
  Z_new =  -0.457806 * X  +   0.814180 * Y  +  -0.357106 * Z  +  19.416058 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.368193  0.475526  1.984137   [DEG:  -78.3917   27.2456  113.6826 ]
ZXZ: -1.566355  1.935964 -0.512230   [DEG:  -89.7455  110.9226  -29.3486 ]
 
# END of job
