
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , 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:    55       4_B - 58_B        4.95    11.42
  LONGEST_CONTINUOUS_SEGMENT:    55       5_B - 59_B        4.94    11.30
  LCS_AVERAGE:     55.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      18_B - 36_B        1.85    13.21
  LONGEST_CONTINUOUS_SEGMENT:    19      19_B - 37_B        1.64    12.39
  LCS_AVERAGE:     17.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      21_B - 36_B        0.99    12.78
  LONGEST_CONTINUOUS_SEGMENT:    16      66_B - 81_B        0.98    16.67
  LCS_AVERAGE:     13.18

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
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     G     3_B     G     3_B      6    8   17      0    4    6    6    7    9   10   10   10   18   25   25   43   47   50   52   54   57   59   60 
LCS_GDT     M     4_B     M     4_B      6    9   55      3    5    6    6    7    9   12   16   26   30   33   38   40   48   51   52   54   57   59   60 
LCS_GDT     E     5_B     E     5_B      6    9   55      3    5    9   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     K     6_B     K     6_B      6    9   55      3    5   10   17   18   20   28   32   35   40   43   46   47   50   51   53   54   57   59   60 
LCS_GDT     V     7_B     V     7_B      6    9   55      4    6    9   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     T     8_B     T     8_B      6    9   55      4    6    8   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     V     9_B     V     9_B      6    9   55      4    6    9   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     V    10_B     V    10_B      6    9   55      4    6    6    7   15   24   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    11_B     L    11_B      6    9   55      4    6    8   11   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     Y    12_B     Y    12_B      6    9   55      4    6    7    8   12   18   28   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     V    13_B     V    13_B      6    9   55      3    5    7    8   11   15   21   25   32   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     N    14_B     N    14_B      6    8   55      3    5    7    8   11   15   21   21   26   31   37   40   46   50   51   53   54   57   59   60 
LCS_GDT     G    15_B     G    15_B      6    8   55      3    5    7    8   10   13   16   18   22   25   28   34   37   44   50   53   54   57   59   60 
LCS_GDT     D    16_B     D    16_B      6    8   55      3    4    7    8   10   13   16   19   22   24   26   29   32   35   42   50   54   56   58   60 
LCS_GDT     E    17_B     E    17_B      4    8   55      3    3    4    7   10   14   18   21   27   32   39   44   47   49   51   53   54   57   59   60 
LCS_GDT     V    18_B     V    18_B      3   19   55      3    3    3    7   10   13   18   20   32   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     A    19_B     A    19_B      5   19   55      0    5   14   16   18   20   22   26   32   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    20_B     L    20_B      5   19   55      1    5   10   17   18   20   21   21   21   24   25   37   40   46   49   50   52   54   57   60 
LCS_GDT     V    21_B     V    21_B     16   19   55      3    5    6   17   18   20   21   21   24   32   37   43   46   48   50   52   54   55   57   60 
LCS_GDT     H    22_B     H    22_B     16   19   55      3    5   15   17   18   24   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     A    23_B     A    23_B     16   19   55     10   14   15   17   18   20   28   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     F    24_B     F    24_B     16   19   55     11   14   15   17   18   20   21   25   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     M    25_B     M    25_B     16   19   55     11   14   15   17   18   24   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     T    26_B     T    26_B     16   19   55     11   14   15   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     T    27_B     T    27_B     16   19   55     11   14   15   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     A    28_B     A    28_B     16   19   55     11   14   15   17   18   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     S    29_B     S    29_B     16   19   55     11   14   15   17   18   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    30_B     L    30_B     16   19   55     11   14   15   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    31_B     L    31_B     16   19   55     11   14   15   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     A    32_B     A    32_B     16   19   55     11   14   15   17   18   20   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     K    33_B     K    33_B     16   19   55     11   14   15   17   18   20   24   30   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     E    34_B     E    34_B     16   19   55     11   14   15   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     G    35_B     G    35_B     16   19   55      3   14   15   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     K    36_B     K    36_B     16   19   55      3   14   15   17   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    37_B     L    37_B      4   19   55      3    4    9   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     V    38_B     V    38_B      5    9   55      3    4    5    7    9   14   22   29   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     E    39_B     E    39_B      5    9   55      3    4    6    7    9   14   20   25   30   36   42   45   47   49   51   53   54   55   59   60 
LCS_GDT     K    40_B     K    40_B      5    9   55      3    5    6    7   10   15   22   25   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    41_B     L    41_B      5    9   55      4    5    6    8   11   15   22   29   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     I    42_B     I    42_B      5    9   55      4    5    6    8   11   15   22   29   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    43_B     L    43_B      5    9   55      4    5    7    8   11   15   22   29   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     T    44_B     T    44_B      5    9   55      4    5    6    8   10   15   22   27   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     S    45_B     S    45_B      5    9   55      3    5    6    8   10   15   21   23   32   36   42   45   47   50   51   53   54   56   59   60 
LCS_GDT     N    46_B     N    46_B      4   15   55      3    5    6    7    8   12   18   28   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     F    47_B     F    47_B     13   15   55      3   10   13   13   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     T    48_B     T    48_B     13   15   55      5   10   13   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     E    49_B     E    49_B     13   15   55      5   10   13   13   18   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     R    50_B     R    50_B     13   15   55      5   10   13   13   18   22   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     T    51_B     T    51_B     13   15   55      5   10   13   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     V    52_B     V    52_B     13   15   55      5   10   13   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     R    53_B     R    53_B     13   15   55      5   10   13   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     R    54_B     R    54_B     13   15   55      5   10   13   13   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     A    55_B     A    55_B     13   15   55      5   10   13   13   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     F    56_B     F    56_B     13   15   55      5   10   13   13   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     D    57_B     D    57_B     13   15   55      5   10   13   14   19   25   29   32   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     L    58_B     L    58_B     13   15   55      4   10   13   13   14   14   18   28   35   40   44   46   47   50   51   53   54   57   59   60 
LCS_GDT     V    59_B     V    59_B     13   15   55      4   10   13   13   14   14   23   28   33   37   42   46   47   50   51   53   54   57   59   60 
LCS_GDT     R    60_B     R    60_B     12   15   44      4    8   10   13   14   18   23   28   33   37   40   46   47   50   51   53   54   57   59   60 
LCS_GDT     E    61_B     E    61_B      4   10   41      4    4    4    5    7    9   11   13   15   16   20   23   31   38   43   46   51   53   58   60 
LCS_GDT     L    62_B     L    62_B      4    6   22      4    4    4    5    7    9   10   12   15   16   18   21   25   29   31   36   41   42   49   54 
LCS_GDT     L    63_B     L    63_B      3    6   22      3    3    4    4    6    9    9   11   14   17   18   21   25   29   31   36   41   42   46   53 
LCS_GDT     P    64_B     P    64_B      3    6   22      3    3    4    5    6    7    8   20   21   23   23   23   24   25   34   35   36   40   47   52 
LCS_GDT     A    65_B     A    65_B      3    5   22      0    3    4    8    8    8   10   14   16   16   19   23   24   24   26   29   31   34   37   39 
LCS_GDT     K    66_B     K    66_B     16   17   22      3    6   12   16   16   17   17   18   18   19   22   22   24   26   28   29   32   34   37   39 
LCS_GDT     A    67_B     A    67_B     16   17   22      3    9   15   16   16   17   17   18   18   19   22   22   24   26   28   29   32   34   35   39 
LCS_GDT     E    68_B     E    68_B     16   17   22      5   12   15   16   16   17   17   18   18   19   22   22   24   26   28   32   35   35   37   39 
LCS_GDT     I    69_B     I    69_B     16   17   22      5   12   15   16   16   17   17   18   18   19   22   22   24   26   30   32   35   36   40   43 
LCS_GDT     I    70_B     I    70_B     16   17   22      9   12   15   16   16   17   17   18   18   19   22   22   24   26   31   33   35   39   46   49 
LCS_GDT     D    71_B     D    71_B     16   17   22      5    9   15   16   16   17   17   18   18   19   22   22   24   26   31   33   41   42   46   49 
LCS_GDT     A    72_B     A    72_B     16   17   22      9   12   15   16   16   17   17   18   18   19   22   22   25   30   38   43   48   51   52   57 
LCS_GDT     L    73_B     L    73_B     16   17   22      9   12   15   16   16   17   17   18   18   19   22   24   31   41   44   47   51   55   57   60 
LCS_GDT     R    74_B     R    74_B     16   17   22      9   12   15   16   16   17   17   18   18   19   23   25   31   36   40   46   51   55   57   60 
LCS_GDT     E    75_B     E    75_B     16   17   22      9   12   15   16   16   17   17   18   18   19   22   30   35   41   44   46   51   55   57   60 
LCS_GDT     E    76_B     E    76_B     16   17   22      9   12   15   16   16   17   17   18   18   19   35   39   43   46   51   52   54   57   59   60 
LCS_GDT     A    77_B     A    77_B     16   17   22      9   12   15   16   16   17   17   19   24   27   28   37   40   47   51   52   54   57   59   60 
LCS_GDT     E    78_B     E    78_B     16   17   22      9   12   15   16   16   17   17   18   18   21   25   26   31   36   41   45   52   55   58   60 
LCS_GDT     K    79_B     K    79_B     16   17   22      9   12   15   16   16   17   17   18   21   26   28   30   38   46   51   52   54   57   59   60 
LCS_GDT     Y    80_B     Y    80_B     16   17   22      8   12   15   16   16   17   17   18   18   21   22   22   33   35   40   50   54   57   59   60 
LCS_GDT     F    81_B     F    81_B     16   17   22      9   12   15   16   16   17   17   18   18   19   22   22   24   26   28   29   34   37   43   47 
LCS_GDT     A    82_B     A    82_B      3   17   22      3    3    3    6   13   17   17   18   18   19   22   22   24   31   34   39   43   46   51   58 
LCS_GDT     E    83_B     E    83_B      3    4   22      3    3    3    3    4   10   13   17   18   19   22   22   24   26   28   29   32   38   43   50 
LCS_AVERAGE  LCS_A:  28.78  (  13.18   17.27   55.88 )

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     11     14     15     17     19     25     29     32     35     40     44     46     47     50     51     53     54     57     59     60 
GDT PERCENT_AT  13.58  17.28  18.52  20.99  23.46  30.86  35.80  39.51  43.21  49.38  54.32  56.79  58.02  61.73  62.96  65.43  66.67  70.37  72.84  74.07
GDT RMS_LOCAL    0.22   0.46   0.79   1.14   1.84   2.20   2.40   2.59   2.83   3.40   3.72   3.84   3.95   4.24   4.33   4.59   4.64   5.17   5.32   5.43
GDT RMS_ALL_AT  12.56  12.25  16.70  11.23  10.34  10.50  10.61  10.54  10.46  10.85  10.99  11.05  10.69  10.90  10.90  11.07  11.11  10.45  10.61  10.63

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  F    24_B      F    24_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    68_B      E    68_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    83_B      E    83_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     9.366     0    0.045   0.045    12.099    7.500    7.500
LGA    M     4_B      M     4_B     7.788     0    0.606   1.289    15.137   21.190   10.655
LGA    E     5_B      E     5_B     1.285     0    0.107   1.230     5.715   61.905   53.175
LGA    K     6_B      K     6_B     3.914     0    0.115   0.562    15.142   48.452   23.333
LGA    V     7_B      V     7_B     0.781     0    0.094   1.163     4.984   75.833   59.456
LGA    T     8_B      T     8_B     2.477     0    0.144   0.897     6.664   67.262   46.531
LGA    V     9_B      V     9_B     1.157     0    0.076   1.186     5.654   81.786   59.728
LGA    V    10_B      V    10_B     3.462     0    0.045   0.084     7.468   45.833   31.497
LGA    L    11_B      L    11_B     2.632     0    0.122   1.416     5.987   64.881   49.286
LGA    Y    12_B      Y    12_B     4.336     0    0.346   0.295     7.373   34.286   25.159
LGA    V    13_B      V    13_B     6.150     0    0.034   0.178     7.766   15.119   15.578
LGA    N    14_B      N    14_B     8.414     0    0.594   0.929     9.429    3.690    3.869
LGA    G    15_B      G    15_B    10.501     0    0.178   0.178    11.665    0.119    0.119
LGA    D    16_B      D    16_B    11.409     0    0.546   1.074    14.066    0.000    0.000
LGA    E    17_B      E    17_B     8.578     0    0.096   0.633    10.206    3.929    3.651
LGA    V    18_B      V    18_B     7.123     0    0.657   1.232     9.836   18.214   11.293
LGA    A    19_B      A    19_B     6.159     0    0.645   0.626     6.896   15.238   17.429
LGA    L    20_B      L    20_B     9.920     0    0.091   1.197    15.395    1.548    0.774
LGA    V    21_B      V    21_B     8.752     0    0.661   0.997    10.555    7.262    4.218
LGA    H    22_B      H    22_B     3.299     0    0.211   1.185     8.116   54.762   39.857
LGA    A    23_B      A    23_B     3.852     0    0.069   0.074     5.436   45.000   41.238
LGA    F    24_B      F    24_B     4.959     0    0.030   0.683     9.863   35.833   17.489
LGA    M    25_B      M    25_B     3.192     0    0.025   1.179     3.624   57.738   53.929
LGA    T    26_B      T    26_B     0.532     0    0.041   0.840     2.760   88.214   80.612
LGA    T    27_B      T    27_B     2.287     0    0.033   0.182     4.590   72.976   57.687
LGA    A    28_B      A    28_B     2.921     0    0.061   0.059     4.043   60.952   56.190
LGA    S    29_B      S    29_B     3.185     0    0.043   0.728     3.762   53.810   50.317
LGA    L    30_B      L    30_B     2.403     0    0.033   1.271     6.583   68.810   55.000
LGA    L    31_B      L    31_B     0.506     0    0.107   0.981     3.273   88.333   72.917
LGA    A    32_B      A    32_B     3.824     0    0.043   0.045     5.065   47.143   42.952
LGA    K    33_B      K    33_B     4.985     0    0.046   0.830     7.457   34.286   24.497
LGA    E    34_B      E    34_B     2.982     0    0.106   1.143     7.316   59.167   45.132
LGA    G    35_B      G    35_B     1.573     0    0.198   0.198     1.844   77.262   77.262
LGA    K    36_B      K    36_B     1.879     0    0.559   0.885     3.505   69.881   62.910
LGA    L    37_B      L    37_B     1.857     0    0.196   1.124     7.410   54.762   38.988
LGA    V    38_B      V    38_B     6.871     0    0.060   0.069    11.083   19.405   11.701
LGA    E    39_B      E    39_B    10.104     0    0.422   1.078    16.960    1.190    0.529
LGA    K    40_B      K    40_B     8.517     0    0.220   0.947    17.816    7.262    3.280
LGA    L    41_B      L    41_B     6.455     0    0.164   1.276     9.954   12.619   10.655
LGA    I    42_B      I    42_B     6.700     0    0.073   0.088     7.215   17.262   14.464
LGA    L    43_B      L    43_B     6.498     0    0.082   1.138     8.577   11.310   14.464
LGA    T    44_B      T    44_B     7.378     0    0.244   0.235     8.214   10.357   10.952
LGA    S    45_B      S    45_B     9.052     0    0.072   0.741     9.867    8.929    6.111
LGA    N    46_B      N    46_B     6.606     0    0.421   1.065    10.616   15.000    8.452
LGA    F    47_B      F    47_B     2.831     0    0.602   1.550    11.056   67.143   31.818
LGA    T    48_B      T    48_B     1.206     0    0.055   0.242     3.418   83.690   71.293
LGA    E    49_B      E    49_B     2.858     0    0.056   0.942     5.250   59.048   45.714
LGA    R    50_B      R    50_B     3.306     0    0.036   1.095    11.847   57.381   26.234
LGA    T    51_B      T    51_B     1.468     0    0.030   1.116     4.072   81.548   72.789
LGA    V    52_B      V    52_B     2.062     0    0.023   0.873     5.302   70.952   55.170
LGA    R    53_B      R    53_B     2.277     0    0.018   1.398    14.741   73.095   32.511
LGA    R    54_B      R    54_B     2.554     0    0.032   1.718     7.529   61.190   40.909
LGA    A    55_B      A    55_B     3.000     0    0.054   0.075     4.091   50.476   50.381
LGA    F    56_B      F    56_B     2.936     0    0.113   1.009     8.349   57.262   34.242
LGA    D    57_B      D    57_B     2.546     0    0.074   0.198     4.554   49.167   57.143
LGA    L    58_B      L    58_B     5.172     0    0.109   1.124     9.804   26.071   17.262
LGA    V    59_B      V    59_B     6.414     0    0.554   1.180     8.751   12.857   17.347
LGA    R    60_B      R    60_B     6.943     0    0.067   1.427    11.090    7.738   18.658
LGA    E    61_B      E    61_B    13.778     0    0.034   1.322    19.182    0.000    0.000
LGA    L    62_B      L    62_B    16.295     0    0.611   1.038    17.664    0.000    0.000
LGA    L    63_B      L    63_B    17.851     0    0.315   1.424    21.446    0.000    0.000
LGA    P    64_B      P    64_B    19.436     0    0.679   0.645    21.367    0.000    0.000
LGA    A    65_B      A    65_B    24.152     0    0.678   0.613    25.073    0.000    0.000
LGA    K    66_B      K    66_B    24.017     0    0.719   0.865    28.139    0.000    0.000
LGA    A    67_B      A    67_B    25.744     0    0.100   0.098    27.727    0.000    0.000
LGA    E    68_B      E    68_B    26.488     0    0.055   1.237    33.059    0.000    0.000
LGA    I    69_B      I    69_B    21.001     0    0.041   0.489    25.132    0.000    0.000
LGA    I    70_B      I    70_B    18.955     0    0.043   0.699    20.487    0.000    0.000
LGA    D    71_B      D    71_B    20.421     0    0.067   1.542    25.917    0.000    0.000
LGA    A    72_B      A    72_B    16.918     0    0.031   0.050    18.440    0.000    0.000
LGA    L    73_B      L    73_B    12.047     0    0.081   0.894    14.230    0.000    0.000
LGA    R    74_B      R    74_B    14.451     0    0.061   1.159    21.966    0.000    0.000
LGA    E    75_B      E    75_B    14.348     0    0.083   1.467    20.104    0.000    0.000
LGA    E    76_B      E    76_B     8.853     0    0.103   1.123    10.710    2.619    7.143
LGA    A    77_B      A    77_B     9.670     0    0.039   0.043    12.162    0.476    0.381
LGA    E    78_B      E    78_B    14.341     0    0.087   0.755    20.903    0.000    0.000
LGA    K    79_B      K    79_B    11.422     0    0.070   0.736    12.319    0.000    2.222
LGA    Y    80_B      Y    80_B    11.883     0    0.055   1.602    16.186    0.000    0.000
LGA    F    81_B      F    81_B    16.776     0    0.700   0.627    22.052    0.000    0.000
LGA    A    82_B      A    82_B    16.926     0    0.152   0.153    17.944    0.000    0.000
LGA    E    83_B      E    83_B    16.559     0    0.298   1.048    20.420    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):     9.272          9.098                 10.287           29.716   23.482

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     32    2.59    35.802    32.230     1.192

LGA_LOCAL      RMSD:   2.585  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.538  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   9.272  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.840524 * X  +   0.518305 * Y  +   0.157731 * Z  +   8.765710
  Y_new =  -0.154279 * X  +  -0.508069 * Y  +   0.847387 * Z  + -41.140003
  Z_new =   0.519343 * X  +   0.687914 * Y  +   0.507008 * Z  + -115.415977 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.960062 -0.546082  0.935653   [DEG: -169.5991  -31.2882   53.6090 ]
ZXZ:  2.957561  1.039087  0.646663   [DEG:  169.4557   59.5353   37.0511 ]
 
# END of job
