
#######################################################
#                                                     #
#                        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:    58       3_B - 60_B        4.98    11.06
  LCS_AVERAGE:     59.27

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      66_B - 82_B        1.41    17.36
  LCS_AVERAGE:     16.08

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      22_B - 36_B        0.81    11.63
  LONGEST_CONTINUOUS_SEGMENT:    15      67_B - 81_B        0.99    17.38
  LCS_AVERAGE:     12.35

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      5    7   58      0    3    5    6    7    8   10   11   15   18   34   37   42   44   48   52   58   59   61   62 
LCS_GDT     M     4_B     M     4_B      5    7   58      3    4    5    6    7    8   10   11   15   29   34   37   42   47   48   55   58   59   61   62 
LCS_GDT     E     5_B     E     5_B      5   10   58      3   14   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     K     6_B     K     6_B      5   10   58      3    7   15   17   19   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     V     7_B     V     7_B      6   10   58      4    8   11   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     T     8_B     T     8_B      6   10   58      5    6    7   11   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     V     9_B     V     9_B      6   10   58      5    8   11   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     V    10_B     V    10_B      6   10   58      5    6    7    9   17   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    11_B     L    11_B      6   10   58      5    6    8   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     Y    12_B     Y    12_B      6   10   58      5    6    8   11   15   18   26   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     V    13_B     V    13_B      6   10   58      3    5    8    8   12   17   21   29   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     N    14_B     N    14_B      6   10   58      3    5    8    8   11   17   21   23   26   37   41   46   49   51   52   55   58   59   61   62 
LCS_GDT     G    15_B     G    15_B      6    8   58      3    5    8    8   10   13   17   21   23   26   30   39   44   48   52   55   58   59   61   62 
LCS_GDT     D    16_B     D    16_B      6    8   58      3    5    8    8   10   13   15   19   23   25   28   30   39   45   52   55   57   57   60   62 
LCS_GDT     E    17_B     E    17_B      4    7   58      3    3    4    7   13   18   21   25   30   39   43   48   49   51   52   55   58   59   60   62 
LCS_GDT     V    18_B     V    18_B      3    7   58      4    8   11   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     A    19_B     A    19_B      3    5   58      3    3    4   17   19   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    20_B     L    20_B      3   15   58      1    3    4    4    5    8   11   16   20   20   21   21   23   33   41   46   50   53   57   57 
LCS_GDT     V    21_B     V    21_B      3   16   58      3    3    4    6    8   14   18   23   26   27   29   42   48   49   51   53   54   57   58   62 
LCS_GDT     H    22_B     H    22_B     15   16   58     12   14   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     A    23_B     A    23_B     15   16   58     12   14   16   17   19   21   23   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     F    24_B     F    24_B     15   16   58     12   14   16   17   19   19   21   26   36   41   45   48   49   51   52   55   58   59   61   62 
LCS_GDT     M    25_B     M    25_B     15   16   58     12   14   16   17   19   24   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     T    26_B     T    26_B     15   16   58     12   14   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     T    27_B     T    27_B     15   16   58     12   14   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     A    28_B     A    28_B     15   16   58     12   14   16   17   19   19   32   34   37   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     S    29_B     S    29_B     15   16   58     12   14   16   17   19   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    30_B     L    30_B     15   16   58     12   14   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    31_B     L    31_B     15   16   58     12   14   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     A    32_B     A    32_B     15   16   58     12   14   16   17   19   24   32   34   36   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     K    33_B     K    33_B     15   16   58      3   14   16   17   19   24   30   34   37   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     E    34_B     E    34_B     15   16   58     12   14   16   17   20   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     G    35_B     G    35_B     15   16   58      3   14   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     K    36_B     K    36_B     15   16   58      4    8   16   17   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    37_B     L    37_B      3   16   58      1    3    5    6   10   15   26   32   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     V    38_B     V    38_B      3    8   58      3    3    4    5    6    8   10   18   29   41   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     E    39_B     E    39_B      5    8   58      3    3    5    7   10   18   21   26   37   42   46   48   49   51   52   55   58   59   60   62 
LCS_GDT     K    40_B     K    40_B      6    8   58      4    6    8   11   15   18   21   28   37   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    41_B     L    41_B      6    8   58      4    6    8   11   15   18   22   29   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     I    42_B     I    42_B      6    8   58      4    6    8   11   15   18   23   30   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    43_B     L    43_B      6    8   58      4    6    8   11   15   18   22   30   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     T    44_B     T    44_B      6    8   58      4    6    8   11   15   18   21   29   37   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     S    45_B     S    45_B      6    8   58      4    6    8   11   13   18   21   25   34   39   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     N    46_B     N    46_B      4   15   58      3    4    5    7    8   16   22   30   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     F    47_B     F    47_B     13   15   58      3   10   13   14   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     T    48_B     T    48_B     13   15   58      5   10   13   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     E    49_B     E    49_B     13   15   58      5   10   13   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     R    50_B     R    50_B     13   15   58      5   10   13   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     T    51_B     T    51_B     13   15   58      5   10   13   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     V    52_B     V    52_B     13   15   58      6   10   13   14   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     R    53_B     R    53_B     13   15   58      6   10   13   15   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     R    54_B     R    54_B     13   15   58      6   10   13   14   21   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     A    55_B     A    55_B     13   15   58      6   10   13   14   19   26   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     F    56_B     F    56_B     13   15   58      6   10   13   14   19   26   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     D    57_B     D    57_B     13   15   58      6    9   13   14   19   27   32   34   38   43   46   48   49   51   52   55   58   59   61   62 
LCS_GDT     L    58_B     L    58_B     13   15   58      6    9   13   14   14   14   18   29   36   42   45   47   49   51   52   55   58   59   61   62 
LCS_GDT     V    59_B     V    59_B     13   15   58      5    9   13   14   14   14   19   28   35   39   43   46   48   51   52   55   58   59   61   62 
LCS_GDT     R    60_B     R    60_B     11   15   58      4    8   10   14   14   14   21   28   35   39   42   46   48   51   52   55   58   59   61   62 
LCS_GDT     E    61_B     E    61_B      4   10   41      4    4    4    5    7    9   11   14   16   16   19   22   30   36   39   46   49   53   61   62 
LCS_GDT     L    62_B     L    62_B      4    7   22      4    4    4    5    7    9   11   12   15   16   16   20   25   29   31   35   39   45   49   54 
LCS_GDT     L    63_B     L    63_B      3    7   22      3    3    4    5    6    8   10   11   13   15   16   20   25   25   31   35   39   41   46   55 
LCS_GDT     P    64_B     P    64_B      3    7   22      3    3    4    4    6    7    9   11   13   17   19   20   22   24   27   29   34   40   49   55 
LCS_GDT     A    65_B     A    65_B      3    7   22      0    3    4    4    6    7    9   10   12   15   16   19   21   22   23   26   29   31   34   37 
LCS_GDT     K    66_B     K    66_B     10   17   22      4    6   12   14   16   17   17   18   18   19   20   21   23   25   25   28   29   31   34   37 
LCS_GDT     A    67_B     A    67_B     15   17   22      4    7   13   15   16   17   17   18   18   19   20   21   23   25   25   28   29   31   34   37 
LCS_GDT     E    68_B     E    68_B     15   17   22      4   10   14   15   16   17   17   18   18   19   20   21   23   25   25   28   34   35   36   38 
LCS_GDT     I    69_B     I    69_B     15   17   22      4   12   14   15   16   17   17   18   18   19   20   21   23   25   29   30   34   36   38   42 
LCS_GDT     I    70_B     I    70_B     15   17   22      4   12   14   15   16   17   17   18   18   19   20   21   23   25   29   32   34   41   46   49 
LCS_GDT     D    71_B     D    71_B     15   17   22      4   12   14   15   16   17   17   18   18   19   20   21   23   25   29   32   39   41   46   49 
LCS_GDT     A    72_B     A    72_B     15   17   22      4   12   14   15   16   17   17   18   18   19   20   22   26   31   36   41   48   51   54   58 
LCS_GDT     L    73_B     L    73_B     15   17   22      8   11   14   15   16   17   17   18   18   19   20   28   34   42   44   46   50   55   59   61 
LCS_GDT     R    74_B     R    74_B     15   17   22      8   12   14   15   16   17   17   18   18   19   20   21   27   34   42   46   50   55   59   61 
LCS_GDT     E    75_B     E    75_B     15   17   22      8   12   14   15   16   17   17   18   18   19   24   32   38   42   44   48   53   56   61   62 
LCS_GDT     E    76_B     E    76_B     15   17   22      8   12   14   15   16   17   17   18   18   23   38   42   44   48   52   55   58   59   61   62 
LCS_GDT     A    77_B     A    77_B     15   17   22      8   12   14   15   16   17   17   19   20   29   30   39   44   49   52   55   58   59   61   62 
LCS_GDT     E    78_B     E    78_B     15   17   22      8   12   14   15   16   17   17   18   18   19   25   27   30   37   42   49   53   56   61   62 
LCS_GDT     K    79_B     K    79_B     15   17   22      8   12   14   15   16   17   17   19   20   29   30   32   44   49   51   55   58   59   61   62 
LCS_GDT     Y    80_B     Y    80_B     15   17   22      8   12   14   15   16   17   17   18   21   24   29   33   38   43   45   51   57   59   61   62 
LCS_GDT     F    81_B     F    81_B     15   17   22      8   12   14   15   16   17   17   18   18   18   20   21   23   25   29   32   36   49   53   55 
LCS_GDT     A    82_B     A    82_B      3   17   22      1    4   10   14   15   17   17   18   18   19   20   23   25   27   32   35   42   49   53   55 
LCS_GDT     E    83_B     E    83_B      3    3   22      0    3    3    5    6    6    7   12   15   19   19   23   25   31   32   38   46   52   61   62 
LCS_AVERAGE  LCS_A:  29.23  (  12.35   16.08   59.27 )

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     12     14     16     17     21     27     32     34     38     43     46     48     49     51     52     55     58     59     61     62 
GDT PERCENT_AT  14.81  17.28  19.75  20.99  25.93  33.33  39.51  41.98  46.91  53.09  56.79  59.26  60.49  62.96  64.20  67.90  71.60  72.84  75.31  76.54
GDT RMS_LOCAL    0.25   0.44   0.83   0.92   1.79   2.13   2.38   2.50   3.12   3.40   3.68   3.83   3.89   4.10   4.19   4.61   4.94   5.05   5.71   5.54
GDT RMS_ALL_AT  12.50  12.28  11.46  11.18  10.90  10.71  10.54  10.54  10.91  10.98  11.19  11.25  11.18  10.89  10.93  10.66  10.54  10.54  10.04  10.35

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  D    16_B      D    16_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    39_B      E    39_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    75_B      E    75_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     9.687     0    0.128   0.128    12.063    1.190    1.190
LGA    M     4_B      M     4_B     8.907     0    0.574   1.470    16.015   11.905    5.952
LGA    E     5_B      E     5_B     2.103     0    0.083   1.113     6.545   49.048   40.212
LGA    K     6_B      K     6_B     3.018     0    0.174   0.458    14.173   59.643   29.683
LGA    V     7_B      V     7_B     0.983     0    0.100   0.182     5.154   75.833   57.755
LGA    T     8_B      T     8_B     2.673     0    0.119   0.918     6.949   61.190   42.517
LGA    V     9_B      V     9_B     0.898     0    0.054   1.199     5.622   82.143   60.884
LGA    V    10_B      V    10_B     3.102     0    0.026   0.064     7.135   52.262   36.259
LGA    L    11_B      L    11_B     2.171     0    0.125   0.885     7.015   70.952   53.036
LGA    Y    12_B      Y    12_B     4.117     0    0.328   1.151     7.302   38.690   29.841
LGA    V    13_B      V    13_B     5.843     0    0.044   0.156     7.606   17.024   18.435
LGA    N    14_B      N    14_B     8.249     0    0.598   0.535     9.463    4.762    4.821
LGA    G    15_B      G    15_B    10.137     0    0.276   0.276    10.426    0.357    0.357
LGA    D    16_B      D    16_B    10.732     0    0.462   1.087    12.498    1.429    0.714
LGA    E    17_B      E    17_B     7.544     0    0.093   1.236     8.242   14.881   16.455
LGA    V    18_B      V    18_B     1.551     0    0.621   1.223     3.351   67.143   62.925
LGA    A    19_B      A    19_B     3.150     0    0.697   0.659     6.763   35.476   38.381
LGA    L    20_B      L    20_B    10.422     0    0.103   0.190    17.424    1.786    0.893
LGA    V    21_B      V    21_B     8.864     0    0.676   0.951    11.487    6.190    3.537
LGA    H    22_B      H    22_B     2.832     0    0.599   0.632     7.211   56.071   42.143
LGA    A    23_B      A    23_B     4.368     0    0.030   0.047     5.898   40.238   36.476
LGA    F    24_B      F    24_B     5.161     0    0.048   0.681    10.550   32.976   15.498
LGA    M    25_B      M    25_B     3.264     0    0.027   0.979     7.175   55.714   42.560
LGA    T    26_B      T    26_B     0.548     0    0.039   0.843     2.331   88.214   80.476
LGA    T    27_B      T    27_B     2.812     0    0.033   0.169     5.113   62.857   49.456
LGA    A    28_B      A    28_B     3.366     0    0.049   0.049     4.317   55.357   51.714
LGA    S    29_B      S    29_B     2.483     0    0.039   0.729     2.711   64.881   63.571
LGA    L    30_B      L    30_B     1.299     0    0.027   1.233     5.611   85.952   70.119
LGA    L    31_B      L    31_B     1.418     0    0.094   1.144     4.515   83.690   64.583
LGA    A    32_B      A    32_B     3.245     0    0.035   0.037     4.386   53.690   50.381
LGA    K    33_B      K    33_B     3.675     0    0.055   0.728     6.222   46.905   36.931
LGA    E    34_B      E    34_B     2.590     0    0.146   0.324     5.072   60.952   50.847
LGA    G    35_B      G    35_B     1.387     0    0.357   0.357     1.387   83.690   83.690
LGA    K    36_B      K    36_B     0.498     0    0.146   0.949     3.998   78.095   63.439
LGA    L    37_B      L    37_B     5.352     0    0.536   1.402    10.515   25.119   16.012
LGA    V    38_B      V    38_B     8.179     0    0.580   0.552    10.425    7.500    4.694
LGA    E    39_B      E    39_B     8.334     0    0.614   0.890    15.414    6.548    2.910
LGA    K    40_B      K    40_B     7.542     0    0.159   0.820    12.084   11.190    5.556
LGA    L    41_B      L    41_B     6.554     0    0.066   1.073     9.811   10.952    8.690
LGA    I    42_B      I    42_B     6.581     0    0.057   0.112     7.106   18.452   15.952
LGA    L    43_B      L    43_B     6.364     0    0.157   1.111     7.987   12.738   15.238
LGA    T    44_B      T    44_B     7.353     0    0.305   0.285     8.350   10.357   10.952
LGA    S    45_B      S    45_B     8.733     0    0.083   0.175     9.343   10.952    8.333
LGA    N    46_B      N    46_B     6.352     0    0.456   1.124    10.717   18.929   10.714
LGA    F    47_B      F    47_B     2.413     0    0.612   1.426    11.064   75.357   34.675
LGA    T    48_B      T    48_B     1.404     0    0.057   0.265     3.455   83.690   71.293
LGA    E    49_B      E    49_B     2.267     0    0.038   0.900     4.444   68.810   56.984
LGA    R    50_B      R    50_B     2.567     0    0.033   1.205    10.156   66.905   33.203
LGA    T    51_B      T    51_B     1.339     0    0.047   1.113     3.987   79.286   73.673
LGA    V    52_B      V    52_B     2.129     0    0.029   0.185     4.009   70.952   59.184
LGA    R    53_B      R    53_B     1.942     0    0.024   1.298    13.726   79.405   35.801
LGA    R    54_B      R    54_B     2.602     0    0.039   1.645     7.405   59.286   38.918
LGA    A    55_B      A    55_B     3.314     0    0.050   0.067     4.408   50.476   49.048
LGA    F    56_B      F    56_B     3.096     0    0.106   1.193     8.195   51.905   33.636
LGA    D    57_B      D    57_B     3.040     0    0.070   0.411     5.124   44.524   50.179
LGA    L    58_B      L    58_B     5.683     0    0.119   1.519    10.420   21.429   13.810
LGA    V    59_B      V    59_B     6.765     0    0.083   0.922     7.907   12.976   13.197
LGA    R    60_B      R    60_B     7.047     0    0.257   1.630    11.223    5.952   17.576
LGA    E    61_B      E    61_B    14.145     0    0.020   0.435    22.271    0.000    0.000
LGA    L    62_B      L    62_B    16.346     0    0.630   1.010    17.631    0.000    0.000
LGA    L    63_B      L    63_B    17.876     0    0.295   1.402    21.565    0.000    0.000
LGA    P    64_B      P    64_B    19.542     0    0.671   0.555    21.522    0.000    0.000
LGA    A    65_B      A    65_B    24.328     0    0.672   0.609    25.306    0.000    0.000
LGA    K    66_B      K    66_B    24.282     0    0.706   0.943    29.864    0.000    0.000
LGA    A    67_B      A    67_B    25.851     0    0.081   0.079    27.878    0.000    0.000
LGA    E    68_B      E    68_B    26.854     0    0.047   1.358    31.468    0.000    0.000
LGA    I    69_B      I    69_B    21.464     0    0.060   0.809    23.537    0.000    0.000
LGA    I    70_B      I    70_B    19.381     0    0.025   0.691    21.272    0.000    0.000
LGA    D    71_B      D    71_B    20.741     0    0.041   1.102    26.312    0.000    0.000
LGA    A    72_B      A    72_B    17.003     0    0.033   0.056    18.648    0.000    0.000
LGA    L    73_B      L    73_B    12.041     0    0.088   0.931    14.274    0.000    0.060
LGA    R    74_B      R    74_B    14.575     0    0.048   0.442    26.831    0.000    0.000
LGA    E    75_B      E    75_B    14.226     0    0.098   0.840    21.524    0.000    0.000
LGA    E    76_B      E    76_B     8.545     0    0.087   1.261    10.479    3.095    9.471
LGA    A    77_B      A    77_B     9.908     0    0.051   0.052    12.506    0.476    0.381
LGA    E    78_B      E    78_B    14.654     0    0.089   0.483    20.338    0.000    0.000
LGA    K    79_B      K    79_B    11.302     0    0.087   0.616    12.219    0.000    6.190
LGA    Y    80_B      Y    80_B    11.946     0    0.038   1.494    16.669    0.000    0.000
LGA    F    81_B      F    81_B    17.128     0    0.696   0.642    22.008    0.000    0.000
LGA    A    82_B      A    82_B    17.924     0    0.701   0.644    18.934    0.000    0.000
LGA    E    83_B      E    83_B    15.370     0    0.100   1.293    16.766    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):     9.304          9.159                 10.329           30.969   24.717

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     34    2.50    37.037    33.482     1.306

LGA_LOCAL      RMSD:   2.504  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.544  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   9.304  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.872310 * X  +   0.467244 * Y  +   0.144076 * Z  +  13.855545
  Y_new =  -0.142806 * X  +  -0.525275 * Y  +   0.838864 * Z  + -40.048676
  Z_new =   0.467633 * X  +   0.711175 * Y  +   0.524928 * Z  + -116.815239 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.979322 -0.486611  0.934946   [DEG: -170.7026  -27.8808   53.5685 ]
ZXZ:  2.971501  1.018166  0.581665   [DEG:  170.2545   58.3366   33.3269 ]
 
# END of job
