
#######################################################
#                                                     #
#                        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   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       3_A - 60_A        4.95    21.27
  LCS_AVERAGE:     60.20

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      17_A - 52_A        2.00    23.48
  LCS_AVERAGE:     29.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      22_A - 42_A        0.93    25.20
  LCS_AVERAGE:     16.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     L     3_A     L     3_A     14   16   58      3    9   16   26   31   36   40   42   44   50   51   51   51   53   55   56   57   57   59   59 
LCS_GDT     L     4_A     L     4_A     14   16   58      7   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     L     5_A     L     5_A     14   16   58      7   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     C     6_A     C     6_A     14   16   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     P     7_A     P     7_A     14   16   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     N     8_A     N     8_A     14   16   58      7   14   25   31   35   37   40   43   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     C     9_A     C     9_A     14   16   58      4   16   25   31   35   37   40   43   45   50   51   51   51   53   55   56   57   57   59   59 
LCS_GDT     Q    10_A     Q    10_A     14   16   58      7   16   25   31   35   37   40   43   47   50   51   51   51   53   55   56   57   57   59   59 
LCS_GDT     V    11_A     V    11_A     14   16   58      7   16   25   31   35   37   40   44   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     G    12_A     G    12_A     14   33   58      7   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     M    13_A     M    13_A     14   34   58      7   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     R    14_A     R    14_A     14   34   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    15_A     E    15_A     14   34   58      4   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     V    16_A     V    16_A     14   34   58      4   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    17_A     E    17_A     10   36   58      4    8   19   30   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     R    18_A     R    18_A     10   36   58      4    8   14   23   31   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     R    19_A     R    19_A     10   36   58      4    8   12   23   26   35   41   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     G    20_A     G    20_A     10   36   58      3    8   24   27   31   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     V    21_A     V    21_A     10   36   58      4   14   24   27   34   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     L    22_A     L    22_A     21   36   58     14   20   24   30   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     I    23_A     I    23_A     21   36   58     14   20   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     D    24_A     D    24_A     21   36   58      6   20   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     V    25_A     V    25_A     21   36   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     C    26_A     C    26_A     21   36   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     P    27_A     P    27_A     21   36   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     Q    28_A     Q    28_A     21   36   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     C    29_A     C    29_A     21   36   58      6   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     G    30_A     G    30_A     21   36   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     G    31_A     G    31_A     21   36   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     V    32_A     V    32_A     21   36   58     10   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     W    33_A     W    33_A     21   36   58      7   16   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     L    34_A     L    34_A     21   36   58      8   20   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     D    35_A     D    35_A     21   36   58      8   20   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     K    36_A     K    36_A     21   36   58     13   20   24   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     G    37_A     G    37_A     21   36   58     14   20   24   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    38_A     E    38_A     21   36   58     14   20   24   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     L    39_A     L    39_A     21   36   58     14   20   25   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    40_A     E    40_A     21   36   58     14   20   24   31   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     K    41_A     K    41_A     21   36   58     14   20   24   30   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     L    42_A     L    42_A     21   36   58     11   19   24   29   35   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     L    43_A     L    43_A     20   36   58     12   20   24   27   33   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     A    44_A     A    44_A     20   36   58     14   20   24   27   31   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    45_A     E    45_A     20   36   58     14   20   24   27   31   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     A    46_A     A    46_A     20   36   58     14   20   24   27   31   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    47_A     E    47_A     20   36   58     14   20   24   27   31   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    48_A     E    48_A     20   36   58     14   20   24   27   31   37   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     V    49_A     V    49_A     20   36   58     14   20   24   27   31   35   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    50_A     E    50_A     20   36   58     14   20   24   27   31   35   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     R    51_A     R    51_A     20   36   58     14   20   24   27   31   35   42   46   47   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     R    52_A     R    52_A     20   36   58     14   20   24   27   31   35   39   46   46   49   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     Y    53_A     Y    53_A     20   35   58      3   16   20   27   31   35   42   46   46   50   51   51   52   53   55   56   57   57   59   59 
LCS_GDT     E    54_A     E    54_A      3   22   58      3    6   12   14   17   24   28   33   38   40   47   50   52   53   55   56   57   57   59   59 
LCS_GDT     E    55_A     E    55_A      3    4   58      3    3    3   10   12   16   21   25   33   41   47   49   52   53   55   56   57   57   59   59 
LCS_GDT     E    56_A     E    56_A      3    3   58      0    3    3    5    8   23   29   37   40   43   48   49   52   53   55   56   57   57   59   59 
LCS_GDT     L    57_A     L    57_A      3    3   58      1    3    5    6    8   14   30   38   40   46   48   49   52   53   55   56   57   57   59   59 
LCS_GDT     E    58_A     E    58_A      3    3   58      0    3    3    5    6    7    9   13   17   25   32   34   47   50   54   56   57   57   59   59 
LCS_GDT     G    59_A     G    59_A      3    3   58      1    3    3    4    5    7    9   13   21   25   32   37   41   50   52   53   57   57   59   59 
LCS_GDT     F    60_A     F    60_A      3    3   58      0    3    3    3    4    6   13   18   26   30   37   40   44   50   52   53   55   57   59   59 
LCS_GDT     Y    61_A     Y    61_A      3    3   52      1    3    4    4    5    7    9   13   21   25   30   36   40   47   52   53   53   57   59   59 
LCS_GDT     R    62_A     R    62_A      3    3   50      0    3    3    3    3    4    5    7   10   12   13   17   26   32   41   44   47   51   55   58 
LCS_GDT     K    63_A     K    63_A      4   12   16      3    4    7    9   11   12   12   12   12   13   13   14   15   15   16   17   22   28   34   37 
LCS_GDT     E    64_A     E    64_A      4   12   16      3    4    7    9   11   12   12   12   12   13   13   14   15   15   16   17   19   20   24   28 
LCS_GDT     G    65_A     G    65_A      4   12   16      3    4    7    9   11   12   12   12   12   13   13   14   15   15   16   17   24   31   34   45 
LCS_GDT     K    66_A     K    66_A      6   12   16      3    4    6    9   11   12   12   12   12   13   13   14   15   15   16   17   19   20   23   26 
LCS_GDT     P    67_A     P    67_A      7   12   16      3    5    7    9   11   12   12   12   12   13   13   14   15   15   16   17   19   20   20   20 
LCS_GDT     Y    68_A     Y    68_A      7   12   16      4    5    7    9   11   12   12   12   12   13   13   14   15   15   16   17   19   20   20   20 
LCS_GDT     K    69_A     K    69_A      7   12   16      4    5    7    9   11   12   12   12   12   13   13   14   15   15   16   17   19   20   20   20 
LCS_GDT     R    70_A     R    70_A      7   12   16      4    5    7    9   10   12   12   12   12   13   13   14   14   15   16   17   19   20   20   20 
LCS_GDT     K    71_A     K    71_A      7   12   16      4    5    7    9   11   12   12   12   12   13   13   14   15   15   16   17   19   20   20   20 
LCS_GDT     K    72_A     K    72_A      7   12   16      0    4    7    9   11   12   12   12   12   13   13   14   14   15   16   17   19   20   20   20 
LCS_GDT     G    73_A     G    73_A      7   12   16      0    5    7    8   11   12   12   12   12   13   13   14   15   15   16   17   19   20   20   20 
LCS_GDT     F    74_A     F    74_A      4   12   16      0    4    5    8   11   12   12   12   12   13   13   14   15   15   16   17   19   20   20   20 
LCS_GDT     M    75_A     M    75_A      3    3   16      0    3    3    3    5    6    9   11   12   13   13   14   15   15   16   17   19   20   20   20 
LCS_GDT     K    76_A     K    76_A      3    3   16      0    3    3    3    5    5    6    8    9   10   11   13   15   15   16   17   19   20   20   20 
LCS_GDT     L    77_A     L    77_A      3    4   16      0    3    4    4    4    5    6    8    9   10   11   12   15   15   16   17   19   20   20   20 
LCS_GDT     F    78_A     F    78_A      3    4   16      0    3    4    4    4    5    6    8    9   10   11   13   15   15   16   17   19   20   20   20 
LCS_GDT     D    79_A     D    79_A      3    4   13      0    3    4    4    4    5    6    6    7    8   10   11   12   14   15   16   18   18   19   20 
LCS_GDT     L    80_A     L    80_A      3    4   12      0    3    3    3    4    5    6    6    7    7    9   11   13   14   15   15   16   17   19   20 
LCS_GDT     F    81_A     F    81_A      3    3   10      0    3    3    3    4    5    6    6    7    7    8   10   11   14   15   15   16   17   19   20 
LCS_AVERAGE  LCS_A:  35.48  (  16.44   29.80   60.20 )

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     14     20     25     31     35     37     42     46     47     50     51     51     52     53     55     56     57     57     59     59 
GDT PERCENT_AT  17.72  25.32  31.65  39.24  44.30  46.84  53.16  58.23  59.49  63.29  64.56  64.56  65.82  67.09  69.62  70.89  72.15  72.15  74.68  74.68
GDT RMS_LOCAL    0.32   0.55   0.94   1.24   1.51   1.69   2.33   2.52   2.65   2.86   2.93   2.93   3.64   3.41   3.86   4.21   4.64   5.06   5.23   5.23
GDT RMS_ALL_AT  23.47  23.37  29.71  28.18  27.00  26.46  23.60  23.32  23.83  23.72  23.56  23.56  22.11  22.79  22.18  21.75  21.42  21.09  21.04  21.04

# Checking swapping
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    78_A      F    78_A
#   possible swapping detected:  D    79_A      D    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     6.240     0    0.365   0.836     8.077   18.690   17.440
LGA    L     4_A      L     4_A     3.849     0    0.071   0.951     4.593   46.905   46.190
LGA    L     5_A      L     5_A     3.858     4    0.133   0.133     3.858   48.452   24.226
LGA    C     6_A      C     6_A     2.969     0    0.051   0.087     4.621   45.476   45.873
LGA    P     7_A      P     7_A     3.769     0    0.063   0.144     5.224   37.738   45.034
LGA    N     8_A      N     8_A     5.843     0    0.091   0.795     7.946   18.333   18.333
LGA    C     9_A      C     9_A     6.519     0    0.119   0.785     7.073   14.524   18.095
LGA    Q    10_A      Q    10_A     6.371     0    0.039   1.456    10.496   16.190   10.106
LGA    V    11_A      V    11_A     5.279     0    0.026   0.187     5.628   29.048   28.571
LGA    G    12_A      G    12_A     3.762     0    0.085   0.085     4.358   46.905   46.905
LGA    M    13_A      M    13_A     1.497     0    0.058   0.876     3.418   70.952   68.095
LGA    R    14_A      R    14_A     2.272     0    0.049   1.227    11.572   73.095   37.619
LGA    E    15_A      E    15_A     2.896     0    0.060   1.083     4.009   48.571   61.640
LGA    V    16_A      V    16_A     3.605     0    0.187   1.062     6.579   53.690   46.054
LGA    E    17_A      E    17_A     2.223     0    0.119   1.182     5.373   57.262   50.952
LGA    R    18_A      R    18_A     2.915     3    0.261   0.766     4.465   53.810   37.879
LGA    R    19_A      R    19_A     3.893     5    0.315   0.454     6.467   45.119   20.823
LGA    G    20_A      G    20_A     2.629     0    0.141   0.141     2.891   59.048   59.048
LGA    V    21_A      V    21_A     1.634     0    0.019   0.059     2.147   75.119   74.218
LGA    L    22_A      L    22_A     1.468     0    0.088   0.963     4.963   77.143   64.107
LGA    I    23_A      I    23_A     1.982     0    0.095   1.171     3.666   70.833   65.179
LGA    D    24_A      D    24_A     1.554     0    0.064   0.376     2.286   72.857   75.060
LGA    V    25_A      V    25_A     1.754     0    0.134   1.046     4.453   72.857   66.599
LGA    C    26_A      C    26_A     1.665     0    0.039   0.061     2.319   70.833   68.810
LGA    P    27_A      P    27_A     2.052     0    0.111   0.464     3.250   61.190   62.789
LGA    Q    28_A      Q    28_A     3.178     0    0.045   1.128     4.418   48.810   45.132
LGA    C    29_A      C    29_A     3.851     0    0.140   0.637     4.776   43.452   40.397
LGA    G    30_A      G    30_A     3.706     0    0.062   0.062     3.713   43.333   43.333
LGA    G    31_A      G    31_A     2.930     0    0.047   0.047     3.236   57.262   57.262
LGA    V    32_A      V    32_A     2.465     0    0.030   1.159     4.828   62.857   55.714
LGA    W    33_A      W    33_A     1.531     0    0.030   1.212     6.143   77.143   61.190
LGA    L    34_A      L    34_A     1.714     0    0.122   0.829     4.166   75.000   66.488
LGA    D    35_A      D    35_A     1.453     0    0.114   1.245     5.181   77.143   67.262
LGA    K    36_A      K    36_A     2.144     0    0.023   0.707     4.130   66.786   58.571
LGA    G    37_A      G    37_A     1.867     0    0.058   0.058     1.969   75.000   75.000
LGA    E    38_A      E    38_A     1.446     0    0.025   0.925     3.671   79.286   71.693
LGA    L    39_A      L    39_A     1.628     0    0.031   0.088     2.181   75.000   72.917
LGA    E    40_A      E    40_A     1.457     0    0.033   0.271     2.481   79.286   73.915
LGA    K    41_A      K    41_A     1.209     0    0.047   1.118     2.984   83.690   75.979
LGA    L    42_A      L    42_A     1.362     0    0.043   1.246     2.787   81.429   74.167
LGA    L    43_A      L    43_A     1.143     0    0.040   1.461     3.519   85.952   75.774
LGA    A    44_A      A    44_A     0.221     0    0.050   0.049     0.900   95.238   94.286
LGA    E    45_A      E    45_A     0.554     0    0.049   0.944     4.306   90.595   74.868
LGA    A    46_A      A    46_A     1.542     0    0.040   0.045     1.995   75.000   74.571
LGA    E    47_A      E    47_A     1.647     0    0.037   0.644     2.315   72.976   78.836
LGA    E    48_A      E    48_A     2.008     0    0.036   0.645     3.460   64.881   64.074
LGA    V    49_A      V    49_A     2.739     0    0.043   0.114     3.124   57.262   56.190
LGA    E    50_A      E    50_A     2.872     0    0.054   0.613     3.320   55.357   55.556
LGA    R    51_A      R    51_A     2.648     0    0.073   1.085     6.543   51.905   44.502
LGA    R    52_A      R    52_A     3.939     0    0.622   1.078     7.463   40.714   25.844
LGA    Y    53_A      Y    53_A     3.565     0    0.628   1.057     4.756   40.476   43.016
LGA    E    54_A      E    54_A     8.702     0    0.642   0.927    13.711    3.214    1.429
LGA    E    55_A      E    55_A    12.105     0    0.629   0.903    16.817    0.000    0.000
LGA    E    56_A      E    56_A    11.452     0    0.621   1.489    13.520    0.000    0.000
LGA    L    57_A      L    57_A    10.261     0    0.644   0.691    12.406    0.000    5.774
LGA    E    58_A      E    58_A    16.827     0    0.614   0.955    23.504    0.000    0.000
LGA    G    59_A      G    59_A    20.112     0    0.607   0.607    20.536    0.000    0.000
LGA    F    60_A      F    60_A    19.434     0    0.636   1.217    20.117    0.000    0.000
LGA    Y    61_A      Y    61_A    21.747     0    0.629   1.444    24.292    0.000    0.000
LGA    R    62_A      R    62_A    27.544     0    0.644   1.388    35.700    0.000    0.000
LGA    K    63_A      K    63_A    30.856     2    0.688   1.128    36.711    0.000    0.000
LGA    E    64_A      E    64_A    29.930     0    0.217   0.650    30.916    0.000    0.000
LGA    G    65_A      G    65_A    33.153     0    0.610   0.610    33.153    0.000    0.000
LGA    K    66_A      K    66_A    32.736     3    0.072   0.097    35.848    0.000    0.000
LGA    P    67_A      P    67_A    36.898     0    0.631   0.552    37.023    0.000    0.000
LGA    Y    68_A      Y    68_A    37.705     0    0.057   1.374    41.980    0.000    0.000
LGA    K    69_A      K    69_A    41.622     2    0.118   0.142    43.625    0.000    0.000
LGA    R    70_A      R    70_A    45.037     0    0.073   1.469    55.710    0.000    0.000
LGA    K    71_A      K    71_A    43.065     0    0.657   1.211    45.256    0.000    0.000
LGA    K    72_A      K    72_A    48.709     0    0.486   1.795    53.636    0.000    0.000
LGA    G    73_A      G    73_A    46.029     0    0.645   0.645    48.470    0.000    0.000
LGA    F    74_A      F    74_A    50.076     0    0.619   1.424    52.531    0.000    0.000
LGA    M    75_A      M    75_A    51.185     0    0.659   0.700    53.855    0.000    0.000
LGA    K    76_A      K    76_A    51.572     0    0.627   1.209    51.572    0.000    0.000
LGA    L    77_A      L    77_A    51.451     0    0.604   1.297    55.559    0.000    0.000
LGA    F    78_A      F    78_A    54.776     0    0.733   0.785    55.364    0.000    0.000
LGA    D    79_A      D    79_A    56.597     0    0.653   1.206    59.354    0.000    0.000
LGA    L    80_A      L    80_A    54.480     0    0.688   1.016    57.142    0.000    0.000
LGA    F    81_A      F    81_A    56.670     0    0.648   1.328    57.848    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):    18.371         18.498                 19.596           38.528   35.359

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     46    2.52    48.418    45.375     1.753

LGA_LOCAL      RMSD:   2.524  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.319  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  18.371  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.511574 * X  +   0.511197 * Y  +   0.690630 * Z  + -19.157457
  Y_new =  -0.757780 * X  +  -0.647314 * Y  +  -0.082179 * Z  + -20.613058
  Z_new =   0.405045 * X  +  -0.565387 * Y  +   0.718524 * Z  +  20.733191 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.164611 -0.417028 -0.666685   [DEG: -124.0231  -23.8939  -38.1982 ]
ZXZ:  1.452361  0.769119  2.519942   [DEG:   83.2142   44.0673  144.3821 ]
 
# END of job
