
#######################################################
#                                                     #
#                        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        4.94    11.05
  LCS_AVERAGE:     60.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      18_B - 36_B        1.85    12.45
  LONGEST_CONTINUOUS_SEGMENT:    19      19_B - 37_B        1.72    11.48
  LCS_AVERAGE:     17.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      22_B - 36_B        0.91    11.60
  LONGEST_CONTINUOUS_SEGMENT:    15      66_B - 80_B        0.93    17.38
  LONGEST_CONTINUOUS_SEGMENT:    15      67_B - 81_B        1.00    17.71
  LCS_AVERAGE:     12.27

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   58      0    3    6    6    7    9   10   10   14   16   23   27   30   36   49   53   55   56   60   62 
LCS_GDT     M     4_B     M     4_B      6    9   58      4    4    6    6    7   10   11   13   15   19   36   40   43   49   52   54   56   58   60   62 
LCS_GDT     E     5_B     E     5_B      6    9   58      4    4   11   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     K     6_B     K     6_B      6    9   58      4    4   13   15   20   25   32   34   36   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     V     7_B     V     7_B      6    9   58      4    8   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     T     8_B     T     8_B      6    9   58      4    6    6   11   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     V     9_B     V     9_B      6    9   58      4    8   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     V    10_B     V    10_B      6    9   58      4    6    6    8   18   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    11_B     L    11_B      6    9   58      4    6   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     Y    12_B     Y    12_B      6    9   58      4    6    8   10   13   21   30   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     V    13_B     V    13_B      6    9   58      3    6    8    9   13   15   20   29   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     N    14_B     N    14_B      6    8   58      3    6    8    9   13   14   20   23   29   38   44   45   49   51   52   54   56   58   60   62 
LCS_GDT     G    15_B     G    15_B      6    8   58      3    6    8    9   11   13   16   19   22   26   32   37   46   49   51   54   56   58   60   62 
LCS_GDT     D    16_B     D    16_B      6    8   58      3    6    8    9   11   13   16   20   22   25   29   31   33   45   49   54   56   56   60   62 
LCS_GDT     E    17_B     E    17_B      4    8   58      3    3    4    6   11   16   20   22   26   37   45   48   49   51   52   54   56   58   60   62 
LCS_GDT     V    18_B     V    18_B      3   19   58      3    3    4    7    9   16   20   27   35   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     A    19_B     A    19_B      5   19   58      3   11   14   17   17   20   25   29   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    20_B     L    20_B      5   19   58      3    4   12   17   17   20   20   21   23   25   32   40   44   50   50   51   54   56   60   62 
LCS_GDT     V    21_B     V    21_B     14   19   58      3    5   12   17   17   20   21   23   23   34   40   47   48   50   51   53   55   58   60   62 
LCS_GDT     H    22_B     H    22_B     15   19   58      3    7   12   17   19   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     A    23_B     A    23_B     15   19   58      3   12   14   17   17   21   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     F    24_B     F    24_B     15   19   58     10   12   14   17   17   20   21   28   35   41   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     M    25_B     M    25_B     15   19   58     10   12   14   17   17   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     T    26_B     T    26_B     15   19   58     10   12   14   17   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     T    27_B     T    27_B     15   19   58     10   12   14   17   17   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     A    28_B     A    28_B     15   19   58     10   12   14   17   17   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     S    29_B     S    29_B     15   19   58     10   12   14   17   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    30_B     L    30_B     15   19   58     10   12   14   17   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    31_B     L    31_B     15   19   58     10   12   14   17   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     A    32_B     A    32_B     15   19   58     10   12   14   17   17   23   32   34   35   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     K    33_B     K    33_B     15   19   58      5   12   14   17   18   23   29   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     E    34_B     E    34_B     15   19   58     10   12   14   17   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     G    35_B     G    35_B     15   19   58      4   12   14   17   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     K    36_B     K    36_B     15   19   58      3   12   14   16   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    37_B     L    37_B      4   19   58      4    8   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     V    38_B     V    38_B      5   11   58      3    4    7    8    8   11   15   25   36   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     E    39_B     E    39_B      5    9   58      3    4    7    8   14   20   26   33   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     K    40_B     K    40_B      6    9   58      3    4    7    8   11   16   20   27   37   42   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    41_B     L    41_B      6    9   58      3    5    7    8   13   16   20   30   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     I    42_B     I    42_B      6    9   58      3    5    7    8   13   16   21   30   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    43_B     L    43_B      6    9   58      3    5    8    9   13   16   20   30   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     T    44_B     T    44_B      6    9   58      3    6    8    9   13   16   20   30   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     S    45_B     S    45_B      6    9   58      3    5    6    8   13   16   19   24   35   42   45   48   49   51   52   54   56   58   60   62 
LCS_GDT     N    46_B     N    46_B      4    9   58      3    4    5    8    8   11   19   30   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     F    47_B     F    47_B      7   14   58      4    8   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     T    48_B     T    48_B      9   14   58      5    8   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     E    49_B     E    49_B     11   14   58      5    7   12   13   14   24   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     R    50_B     R    50_B     11   14   58      5    7   12   13   14   24   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     T    51_B     T    51_B     11   14   58      5    9   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     V    52_B     V    52_B     11   14   58      5    9   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     R    53_B     R    53_B     11   14   58      5    9   12   13   16   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     R    54_B     R    54_B     11   14   58      4    9   12   13   17   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     A    55_B     A    55_B     11   14   58      4    9   12   13   19   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     F    56_B     F    56_B     11   14   58      4    9   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     D    57_B     D    57_B     11   14   58      5    9   12   15   20   25   32   34   37   44   46   48   49   51   52   54   56   58   60   62 
LCS_GDT     L    58_B     L    58_B     11   14   58      5    9   12   13   14   14   20   29   35   41   45   48   49   51   52   54   56   58   60   62 
LCS_GDT     V    59_B     V    59_B     11   14   58      5    9   12   13   14   15   19   27   34   39   43   47   49   51   52   54   56   58   60   62 
LCS_GDT     R    60_B     R    60_B     10   14   58      5    8   10   13   14   16   24   29   34   39   43   47   49   51   52   54   56   58   60   62 
LCS_GDT     E    61_B     E    61_B      4   10   45      4    4    4    5    6    9   11   14   15   21   21   27   30   36   40   44   49   52   59   62 
LCS_GDT     L    62_B     L    62_B      4    6   24      4    4    4    5    6    9   11   12   15   17   19   21   24   29   34   37   43   45   48   58 
LCS_GDT     L    63_B     L    63_B      3    6   24      0    3    4    5    6    8   10   12   14   16   19   21   24   29   30   37   39   45   48   56 
LCS_GDT     P    64_B     P    64_B      3    5   24      1    3    4    4    6    8   19   19   20   20   21   22   29   31   33   37   39   42   47   52 
LCS_GDT     A    65_B     A    65_B      3    5   24      0    3    4    5    6    7    9   10   12   16   18   22   23   25   27   27   32   36   37   40 
LCS_GDT     K    66_B     K    66_B     15   18   24      5    8   12   15   16   17   17   17   18   20   20   22   23   25   25   28   33   35   36   38 
LCS_GDT     A    67_B     A    67_B     15   18   24      5   11   14   15   16   17   17   17   18   20   20   22   23   25   25   28   33   35   36   38 
LCS_GDT     E    68_B     E    68_B     15   18   24      5   12   14   15   16   17   17   17   18   20   20   22   23   25   25   30   33   36   37   39 
LCS_GDT     I    69_B     I    69_B     15   18   24      5   12   14   15   16   17   17   17   18   20   20   22   23   25   29   31   35   37   42   44 
LCS_GDT     I    70_B     I    70_B     15   18   24      5   12   14   15   16   17   17   17   18   20   20   22   23   26   30   33   36   43   45   52 
LCS_GDT     D    71_B     D    71_B     15   18   24      4   12   14   15   16   17   17   17   18   20   20   22   23   25   28   35   38   43   47   52 
LCS_GDT     A    72_B     A    72_B     15   18   24      4   12   14   15   16   17   17   17   18   20   20   22   24   29   37   44   44   45   53   56 
LCS_GDT     L    73_B     L    73_B     15   18   24      5   12   14   15   16   17   17   17   18   20   20   27   33   41   44   47   52   55   60   62 
LCS_GDT     R    74_B     R    74_B     15   18   24      5   12   14   15   16   17   17   17   18   20   24   27   31   38   44   46   50   54   60   62 
LCS_GDT     E    75_B     E    75_B     15   18   24      5   12   14   15   16   17   17   17   18   20   21   32   35   41   44   48   52   55   60   62 
LCS_GDT     E    76_B     E    76_B     15   18   24      5   12   14   15   16   17   17   17   18   25   34   41   43   49   51   54   56   58   60   62 
LCS_GDT     A    77_B     A    77_B     15   18   24      5   12   14   15   16   17   17   19   22   27   30   37   43   47   52   54   56   58   60   62 
LCS_GDT     E    78_B     E    78_B     15   18   24      5   12   14   15   16   17   17   17   19   23   26   27   33   37   41   45   50   54   60   62 
LCS_GDT     K    79_B     K    79_B     15   18   24      5   12   14   15   16   17   17   19   22   27   29   33   41   44   50   53   55   58   60   62 
LCS_GDT     Y    80_B     Y    80_B     15   18   24      4    9   14   15   16   17   17   17   19   23   28   29   31   42   46   51   55   58   60   62 
LCS_GDT     F    81_B     F    81_B     15   18   24      4    6   12   15   16   17   17   17   18   20   20   21   23   25   25   28   33   41   44   56 
LCS_GDT     A    82_B     A    82_B      4   18   24      3    4    5   10   16   17   17   17   18   20   20   22   23   25   30   37   40   47   54   57 
LCS_GDT     E    83_B     E    83_B      3   18   24      0    4    4   10   11   15   15   16   18   20   20   24   30   31   34   37   41   46   54   55 
LCS_AVERAGE  LCS_A:  29.91  (  12.27   17.45   60.01 )

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     10     12     14     17     20     25     32     34     37     44     46     48     49     51     52     54     56     58     60     62 
GDT PERCENT_AT  12.35  14.81  17.28  20.99  24.69  30.86  39.51  41.98  45.68  54.32  56.79  59.26  60.49  62.96  64.20  66.67  69.14  71.60  74.07  76.54
GDT RMS_LOCAL    0.25   0.46   0.72   1.16   1.64   2.01   2.42   2.54   3.13   3.50   3.63   3.78   3.89   4.09   4.19   4.57   4.73   5.03   5.24   5.64
GDT RMS_ALL_AT  12.33  12.08  11.67  13.18  10.34  10.36  10.57  10.57  11.04  11.01  11.12  11.14  11.18  10.90  10.94  10.59  10.67  10.48  10.50  10.28

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_B
#   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:  F    47_B      F    47_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    68_B      E    68_B
#   possible swapping detected:  E    75_B      E    75_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     9.770     0    0.046   0.046    12.549    5.595    5.595
LGA    M     4_B      M     4_B     8.159     0    0.573   1.603    14.863   17.381    8.750
LGA    E     5_B      E     5_B     1.670     0    0.119   1.042     4.210   62.143   63.968
LGA    K     6_B      K     6_B     3.203     0    0.130   0.872    11.135   57.500   28.571
LGA    V     7_B      V     7_B     0.603     0    0.091   1.150     4.921   74.167   58.503
LGA    T     8_B      T     8_B     2.826     0    0.150   0.824     6.787   67.143   45.918
LGA    V     9_B      V     9_B     1.088     0    0.045   1.191     5.970   71.429   53.129
LGA    V    10_B      V    10_B     3.191     0    0.057   0.123     7.433   54.286   36.327
LGA    L    11_B      L    11_B     2.030     0    0.098   1.445     6.227   70.952   51.786
LGA    Y    12_B      Y    12_B     3.992     0    0.373   1.115     6.733   40.238   31.746
LGA    V    13_B      V    13_B     5.816     0    0.042   0.145     7.440   17.738   18.231
LGA    N    14_B      N    14_B     8.139     0    0.592   1.194    10.795    4.762    2.798
LGA    G    15_B      G    15_B    10.308     0    0.193   0.193    11.527    0.119    0.119
LGA    D    16_B      D    16_B    11.343     0    0.556   1.012    14.438    0.119    0.060
LGA    E    17_B      E    17_B     8.340     0    0.105   1.081    11.018    4.881    2.857
LGA    V    18_B      V    18_B     7.000     0    0.638   1.144     9.442   17.738   11.156
LGA    A    19_B      A    19_B     5.578     0    0.625   0.615     6.359   19.286   21.714
LGA    L    20_B      L    20_B     9.141     0    0.086   1.391    14.922    3.571    1.786
LGA    V    21_B      V    21_B     8.077     0    0.647   1.004    10.132    9.167    5.510
LGA    H    22_B      H    22_B     2.857     0    0.126   1.192     8.774   62.143   40.810
LGA    A    23_B      A    23_B     3.592     0    0.055   0.067     5.419   46.786   42.667
LGA    F    24_B      F    24_B     5.274     0    0.053   0.844    10.676   32.976   15.152
LGA    M    25_B      M    25_B     3.296     0    0.028   1.061     4.012   55.714   52.143
LGA    T    26_B      T    26_B     0.483     0    0.048   1.206     3.925   92.857   81.293
LGA    T    27_B      T    27_B     2.826     0    0.045   0.218     5.310   62.857   50.272
LGA    A    28_B      A    28_B     3.298     0    0.038   0.041     4.309   55.357   51.714
LGA    S    29_B      S    29_B     2.540     0    0.039   0.701     2.920   60.952   62.302
LGA    L    30_B      L    30_B     1.492     0    0.030   1.229     5.573   83.690   67.976
LGA    L    31_B      L    31_B     1.078     0    0.126   1.053     3.481   86.071   70.774
LGA    A    32_B      A    32_B     3.390     0    0.043   0.050     4.502   52.024   47.905
LGA    K    33_B      K    33_B     3.750     0    0.044   0.928     6.727   46.667   35.661
LGA    E    34_B      E    34_B     2.231     0    0.063   0.669     3.027   66.786   64.921
LGA    G    35_B      G    35_B     1.193     0    0.157   0.157     1.325   83.690   83.690
LGA    K    36_B      K    36_B     1.421     0    0.301   0.986     3.582   79.524   68.201
LGA    L    37_B      L    37_B     1.012     0    0.253   1.267     6.376   66.548   50.714
LGA    V    38_B      V    38_B     6.034     0    0.585   1.361     9.833   23.810   15.714
LGA    E    39_B      E    39_B     5.948     0    0.081   0.880     9.359   15.595   11.323
LGA    K    40_B      K    40_B     8.041     0    0.221   1.000    18.468   12.143    5.556
LGA    L    41_B      L    41_B     6.470     0    0.149   0.983     7.747   12.619   13.690
LGA    I    42_B      I    42_B     6.448     0    0.059   0.623     7.770   19.405   15.655
LGA    L    43_B      L    43_B     6.285     0    0.132   0.195     7.821   12.738   16.250
LGA    T    44_B      T    44_B     7.031     0    0.287   0.269     7.978   11.071   12.313
LGA    S    45_B      S    45_B     8.154     0    0.136   0.473     8.654   15.119   12.222
LGA    N    46_B      N    46_B     6.339     0    0.527   1.496     8.703   22.500   13.988
LGA    F    47_B      F    47_B     1.389     0    0.286   1.070     7.341   71.429   48.788
LGA    T    48_B      T    48_B     0.775     0    0.169   0.394     2.827   90.476   81.905
LGA    E    49_B      E    49_B     2.921     0    0.033   0.874     4.288   61.071   49.894
LGA    R    50_B      R    50_B     3.360     0    0.023   1.798     6.438   57.262   39.827
LGA    T    51_B      T    51_B     1.438     0    0.027   1.090     4.168   83.810   72.857
LGA    V    52_B      V    52_B     1.915     0    0.066   0.138     4.036   77.262   62.789
LGA    R    53_B      R    53_B     2.682     0    0.035   1.594    13.793   69.048   29.654
LGA    R    54_B      R    54_B     3.132     0    0.033   1.464     8.722   53.810   30.476
LGA    A    55_B      A    55_B     3.281     0    0.035   0.050     4.353   50.476   50.381
LGA    F    56_B      F    56_B     2.853     0    0.063   1.046     9.607   57.262   33.117
LGA    D    57_B      D    57_B     2.636     0    0.067   0.073     4.732   49.167   56.071
LGA    L    58_B      L    58_B     5.586     0    0.126   0.660     9.461   21.429   13.750
LGA    V    59_B      V    59_B     6.775     0    0.130   0.901     7.662   12.976   12.653
LGA    R    60_B      R    60_B     7.016     0    0.203   1.223    11.240    6.905   18.182
LGA    E    61_B      E    61_B    13.967     0    0.038   1.300    19.703    0.000    0.000
LGA    L    62_B      L    62_B    16.275     0    0.615   1.137    17.834    0.000    0.000
LGA    L    63_B      L    63_B    17.807     0    0.306   0.319    21.558    0.000    0.000
LGA    P    64_B      P    64_B    19.682     0    0.658   0.545    21.803    0.000    0.000
LGA    A    65_B      A    65_B    24.713     0    0.675   0.613    25.864    0.000    0.000
LGA    K    66_B      K    66_B    24.362     0    0.734   0.990    31.089    0.000    0.000
LGA    A    67_B      A    67_B    25.946     0    0.066   0.063    28.119    0.000    0.000
LGA    E    68_B      E    68_B    27.123     0    0.033   1.493    34.084    0.000    0.000
LGA    I    69_B      I    69_B    21.478     0    0.046   0.466    25.368    0.000    0.000
LGA    I    70_B      I    70_B    19.000     0    0.614   0.950    20.184    0.000    0.000
LGA    D    71_B      D    71_B    20.751     0    0.129   1.067    26.390    0.000    0.000
LGA    A    72_B      A    72_B    18.180     0    0.048   0.055    19.445    0.000    0.000
LGA    L    73_B      L    73_B    12.502     0    0.095   0.807    14.926    0.000    0.000
LGA    R    74_B      R    74_B    14.492     0    0.048   0.443    24.941    0.000    0.000
LGA    E    75_B      E    75_B    14.932     0    0.087   1.465    21.426    0.000    0.000
LGA    E    76_B      E    76_B     9.148     0    0.114   0.567    11.159    2.262    2.116
LGA    A    77_B      A    77_B     9.884     0    0.057   0.054    12.369    0.476    0.381
LGA    E    78_B      E    78_B    14.838     0    0.100   0.542    21.530    0.000    0.000
LGA    K    79_B      K    79_B    12.035     0    0.108   0.755    12.678    0.000    0.000
LGA    Y    80_B      Y    80_B    11.496     0    0.084   0.218    20.347    0.000    0.000
LGA    F    81_B      F    81_B    15.940     0    0.117   1.494    19.015    0.000    0.000
LGA    A    82_B      A    82_B    16.470     0    0.656   0.596    16.988    0.000    0.000
LGA    E    83_B      E    83_B    17.516     0    0.363   1.134    20.915    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):     9.287          9.139                 10.370           31.395   25.361

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     34    2.54    36.111    33.137     1.287

LGA_LOCAL      RMSD:   2.542  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.568  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   9.287  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.844044 * X  +   0.506750 * Y  +   0.175483 * Z  +   6.636747
  Y_new =  -0.167210 * X  +  -0.559596 * Y  +   0.811722 * Z  + -35.341728
  Z_new =   0.509540 * X  +   0.655787 * Y  +   0.557057 * Z  + -118.039017 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.946019 -0.534650  0.866622   [DEG: -168.7945  -30.6332   49.6538 ]
ZXZ:  2.928684  0.979958  0.660553   [DEG:  167.8012   56.1475   37.8469 ]
 
# END of job
