
#######################################################
#                                                     #
#                        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:    62       3_A - 64_A        4.69     8.26
  LCS_AVERAGE:     66.37

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       3_A - 43_A        1.88    10.60
  LCS_AVERAGE:     35.86

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      36_A - 56_A        0.78    11.65
  LCS_AVERAGE:     15.86

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      8   41   62      0    8   19   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     L     4_A     L     4_A      8   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     L     5_A     L     5_A      8   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     C     6_A     C     6_A      8   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     P     7_A     P     7_A      8   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     N     8_A     N     8_A      8   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     C     9_A     C     9_A      8   41   62      7   16   24   32   37   39   41   43   49   51   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     Q    10_A     Q    10_A      8   41   62      7    8   21   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     V    11_A     V    11_A      8   41   62      3    3   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     G    12_A     G    12_A     12   41   62      3    4   22   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     M    13_A     M    13_A     14   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     R    14_A     R    14_A     14   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    15_A     E    15_A     14   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     V    16_A     V    16_A     14   41   62      6   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    17_A     E    17_A     14   41   62      3   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     R    18_A     R    18_A     14   41   62      3   13   24   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     R    19_A     R    19_A     14   41   62      3    4   23   32   37   39   41   43   48   51   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     G    20_A     G    20_A     15   41   62      3   15   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     V    21_A     V    21_A     15   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     L    22_A     L    22_A     15   41   62      7   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     I    23_A     I    23_A     15   41   62      6   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     D    24_A     D    24_A     15   41   62      6   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     V    25_A     V    25_A     15   41   62      5   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     C    26_A     C    26_A     15   41   62      5   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     P    27_A     P    27_A     15   41   62      4   12   24   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     Q    28_A     Q    28_A     15   41   62      5   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     C    29_A     C    29_A     15   41   62      5   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     G    30_A     G    30_A     15   41   62      4   10   20   31   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     G    31_A     G    31_A     15   41   62      5   13   22   31   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     V    32_A     V    32_A     15   41   62      4   12   22   31   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     W    33_A     W    33_A     15   41   62      5   13   22   31   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     L    34_A     L    34_A     15   41   62      3   11   14   25   31   34   38   41   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     D    35_A     D    35_A     12   41   62      5   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     K    36_A     K    36_A     21   41   62      6   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     G    37_A     G    37_A     21   41   62      7   18   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    38_A     E    38_A     21   41   62      5   16   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     L    39_A     L    39_A     21   41   62      6   18   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    40_A     E    40_A     21   41   62      7   18   21   27   34   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     K    41_A     K    41_A     21   41   62     11   18   21   28   34   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     L    42_A     L    42_A     21   41   62     11   18   25   32   37   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     L    43_A     L    43_A     21   41   62      7   18   21   23   31   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     A    44_A     A    44_A     21   26   62      8   18   21   23   31   38   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    45_A     E    45_A     21   26   62     11   18   21   25   33   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     A    46_A     A    46_A     21   26   62     11   18   21   25   32   39   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    47_A     E    47_A     21   26   62     11   18   21   22   28   32   41   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    48_A     E    48_A     21   26   62     11   18   21   22   28   32   41   45   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     V    49_A     V    49_A     21   26   62     11   18   21   23   31   38   42   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    50_A     E    50_A     21   26   62     11   18   21   23   28   34   41   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     R    51_A     R    51_A     21   26   62     11   18   21   22   27   30   34   39   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     R    52_A     R    52_A     21   26   62     11   18   21   22   28   32   38   45   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     Y    53_A     Y    53_A     21   26   62     11   18   21   23   28   36   41   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    54_A     E    54_A     21   26   62     11   18   21   22   26   30   33   39   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    55_A     E    55_A     21   26   62     11   18   21   22   22   29   33   36   42   50   52   55   57   58   59   62   65   67   69   70 
LCS_GDT     E    56_A     E    56_A     21   26   62      4   18   21   22   28   32   37   45   49   53   55   56   57   58   59   62   65   66   69   70 
LCS_GDT     L    57_A     L    57_A     13   26   62      4    6   12   23   27   33   41   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     E    58_A     E    58_A      4   23   62      6    9   14   19   25   32   40   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     G    59_A     G    59_A      4    6   62      4    4    5    6   25   31   40   46   49   53   55   56   57   58   59   62   65   67   69   70 
LCS_GDT     F    60_A     F    60_A      4    6   62      4    4    5    6    8   10   16   33   41   50   53   56   57   58   59   62   65   67   69   70 
LCS_GDT     Y    61_A     Y    61_A      4    6   62      4    4    5    6    6   21   30   33   37   41   46   52   54   56   59   62   65   67   69   70 
LCS_GDT     R    62_A     R    62_A      4    4   62      4    4    4    4    4   10   14   17   21   23   32   38   44   48   52   58   64   67   69   70 
LCS_GDT     K    63_A     K    63_A      4    6   62      4    4    5    5    6    7    9   12   19   26   33   41   47   52   54   60   65   67   69   70 
LCS_GDT     E    64_A     E    64_A      5    9   62      3    5    5    7    8    9    9    9   11   15   20   24   29   35   40   43   48   53   62   64 
LCS_GDT     G    65_A     G    65_A      5    9   32      3    5    5    7    8    9    9    9   10   11   15   17   24   28   33   42   46   49   49   55 
LCS_GDT     K    66_A     K    66_A      5    9   21      3    5    5    7    8    9    9    9   10   14   17   19   24   30   33   42   45   49   49   50 
LCS_GDT     P    67_A     P    67_A      5    9   21      3    5    5    7    8    9    9    9   11   14   18   19   24   31   36   42   46   49   49   54 
LCS_GDT     Y    68_A     Y    68_A      5    9   21      0    5    5    7    8    9    9   10   11   15   18   22   29   33   38   43   46   49   49   55 
LCS_GDT     K    69_A     K    69_A      5    9   21      1    4    5    7    8    9    9   10   12   16   24   27   33   36   38   43   46   49   52   55 
LCS_GDT     R    70_A     R    70_A      5    9   21      3    4    5    7    8    9    9    9   10   12   17   25   30   36   38   43   46   49   52   55 
LCS_GDT     K    71_A     K    71_A      5    9   15      4    4    5    7    8    9    9    9   10   12   18   28   33   36   40   43   47   49   52   55 
LCS_GDT     K    72_A     K    72_A      5    9   15      4    4    5    5    8    9    9    9   10   11   13   16   20   28   33   43   46   49   52   55 
LCS_GDT     G    73_A     G    73_A      4    5   15      4    4    4    5    5    8   10   16   21   28   33   39   44   50   54   57   62   67   69   70 
LCS_GDT     F    74_A     F    74_A      4    7   15      4    4    4    5    5    7    8    8    8   16   33   41   47   52   54   60   65   67   69   70 
LCS_GDT     M    75_A     M    75_A      6    7   15      3    5    5    6    7   19   24   26   34   37   41   45   50   53   59   62   65   67   69   70 
LCS_GDT     K    76_A     K    76_A      6    7   15      4    5    5    6    7    7   23   24   30   38   41   44   50   54   59   62   65   67   69   70 
LCS_GDT     L    77_A     L    77_A      6    7   15      4    5    5    6    7    7    8   10   14   20   29   40   46   52   57   62   65   67   69   70 
LCS_GDT     F    78_A     F    78_A      6    7   14      4    5    5    6    7   22   25   28   34   38   41   47   50   55   59   62   65   67   69   70 
LCS_GDT     D    79_A     D    79_A      6    7   14      4    5    5    7   22   24   24   24   27   29   32   34   40   46   52   57   64   67   69   70 
LCS_GDT     L    80_A     L    80_A      6    7   14      3    4    5    6    7    7    8    8    8   13   14   27   29   41   46   52   62   67   68   70 
LCS_GDT     F    81_A     F    81_A      4    7   14      3    4    4    5   22   24   24   24   26   29   32   34   35   41   46   52   62   67   69   70 
LCS_AVERAGE  LCS_A:  39.36  (  15.86   35.86   66.37 )

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     18     25     32     37     39     42     46     49     53     55     56     57     58     59     62     65     67     69     70 
GDT PERCENT_AT  13.92  22.78  31.65  40.51  46.84  49.37  53.16  58.23  62.03  67.09  69.62  70.89  72.15  73.42  74.68  78.48  82.28  84.81  87.34  88.61
GDT RMS_LOCAL    0.35   0.57   0.96   1.23   1.47   1.65   2.08   2.50   2.65   3.01   3.12   3.20   3.30   3.42   3.75   4.15   4.64   5.15   5.31   5.41
GDT RMS_ALL_AT  12.35  12.17  10.39  10.88  11.07  10.73   9.92   9.24   9.15   9.20   9.19   9.13   9.00   9.01   8.77   8.51   8.25   7.90   7.91   7.89

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    40_A      E    40_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    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_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     2.576     0    0.232   1.231     7.563   62.976   40.060
LGA    L     4_A      L     4_A     0.858     0    0.625   0.614     3.469   75.833   85.536
LGA    L     5_A      L     5_A     1.991     4    0.117   0.117     1.992   72.857   36.429
LGA    C     6_A      C     6_A     2.289     0    0.055   0.817     3.842   62.857   58.651
LGA    P     7_A      P     7_A     1.519     0    0.086   0.370     1.957   72.857   74.082
LGA    N     8_A      N     8_A     3.399     0    0.311   0.286     5.542   41.429   40.952
LGA    C     9_A      C     9_A     4.134     0    0.227   0.892     4.856   37.262   41.825
LGA    Q    10_A      Q    10_A     3.617     0    0.612   1.099     6.118   39.524   34.392
LGA    V    11_A      V    11_A     1.655     0    0.643   0.612     4.520   79.405   63.197
LGA    G    12_A      G    12_A     3.052     0    0.116   0.116     3.053   55.476   55.476
LGA    M    13_A      M    13_A     0.768     0    0.136   0.656     1.947   88.214   84.881
LGA    R    14_A      R    14_A     0.676     0    0.067   1.436     9.888   90.476   50.866
LGA    E    15_A      E    15_A     1.121     0    0.022   0.912     2.396   79.405   78.730
LGA    V    16_A      V    16_A     2.221     0    0.066   0.106     3.048   64.881   62.721
LGA    E    17_A      E    17_A     3.831     0    0.277   0.898     7.103   40.476   28.095
LGA    R    18_A      R    18_A     4.024     3    0.597   1.120     6.067   32.262   31.948
LGA    R    19_A      R    19_A     5.336     5    0.203   0.374     7.706   34.405   14.719
LGA    G    20_A      G    20_A     3.163     0    0.030   0.030     3.984   57.738   57.738
LGA    V    21_A      V    21_A     1.952     0    0.088   0.077     2.486   68.810   67.075
LGA    L    22_A      L    22_A     1.367     0    0.075   0.855     3.908   81.429   73.512
LGA    I    23_A      I    23_A     1.864     0    0.179   0.298     2.617   72.857   66.905
LGA    D    24_A      D    24_A     1.914     0    0.087   0.696     3.082   68.810   63.988
LGA    V    25_A      V    25_A     1.290     0    0.143   1.156     3.102   85.952   78.299
LGA    C    26_A      C    26_A     1.533     0    0.102   0.139     1.757   75.000   75.714
LGA    P    27_A      P    27_A     2.840     0    0.121   0.445     4.041   52.262   50.476
LGA    Q    28_A      Q    28_A     2.535     0    0.153   0.713     4.307   60.952   53.598
LGA    C    29_A      C    29_A     2.481     0    0.178   0.842     2.515   64.762   63.492
LGA    G    30_A      G    30_A     2.972     0    0.701   0.701     2.972   59.048   59.048
LGA    G    31_A      G    31_A     3.015     0    0.087   0.087     3.515   53.810   53.810
LGA    V    32_A      V    32_A     2.882     0    0.061   1.120     5.340   55.357   48.707
LGA    W    33_A      W    33_A     2.860     0    0.239   1.292     4.557   53.690   64.048
LGA    L    34_A      L    34_A     5.316     0    0.501   0.775    10.696   29.048   16.131
LGA    D    35_A      D    35_A     1.016     0    0.585   1.124     4.488   79.286   61.369
LGA    K    36_A      K    36_A     1.113     0    0.095   0.899     4.997   85.952   73.492
LGA    G    37_A      G    37_A     0.579     0    0.074   0.074     0.869   90.476   90.476
LGA    E    38_A      E    38_A     1.761     0    0.033   1.156     3.570   75.000   66.085
LGA    L    39_A      L    39_A     2.009     0    0.045   1.399     7.200   75.119   51.905
LGA    E    40_A      E    40_A     1.192     0    0.030   0.930     2.706   85.952   75.238
LGA    K    41_A      K    41_A     1.615     0    0.066   0.873     6.100   79.405   59.206
LGA    L    42_A      L    42_A     1.684     0    0.060   0.097     4.529   81.548   63.512
LGA    L    43_A      L    43_A     2.012     0    0.052   1.447     4.262   67.024   62.500
LGA    A    44_A      A    44_A     2.872     0    0.051   0.049     3.417   57.262   55.810
LGA    E    45_A      E    45_A     2.046     0    0.047   1.214     4.421   70.833   56.561
LGA    A    46_A      A    46_A     1.477     0    0.055   0.064     2.640   71.190   69.905
LGA    E    47_A      E    47_A     4.557     0    0.024   0.974     9.327   33.571   20.529
LGA    E    48_A      E    48_A     5.224     0    0.019   1.199     7.945   28.810   18.360
LGA    V    49_A      V    49_A     2.901     0    0.044   0.062     3.477   53.571   60.816
LGA    E    50_A      E    50_A     4.059     0    0.042   0.593     8.190   33.690   22.804
LGA    R    51_A      R    51_A     7.036     0    0.055   1.039    14.249   12.143    5.108
LGA    R    52_A      R    52_A     6.367     0    0.038   1.368     8.007   18.214   14.502
LGA    Y    53_A      Y    53_A     4.159     0    0.041   0.158     5.441   30.238   47.897
LGA    E    54_A      E    54_A     7.211     0    0.056   0.830     8.716    9.762    7.619
LGA    E    55_A      E    55_A     9.384     0    0.055   0.807    11.344    2.381    1.058
LGA    E    56_A      E    56_A     7.366     0    0.583   1.024     8.865    8.333    7.989
LGA    L    57_A      L    57_A     4.142     0    0.266   0.309     5.142   31.667   33.690
LGA    E    58_A      E    58_A     4.246     0    0.067   0.249     6.622   35.952   29.259
LGA    G    59_A      G    59_A     4.483     0    0.209   0.209     7.026   27.976   27.976
LGA    F    60_A      F    60_A     6.796     0    0.574   0.657     9.733   13.690    9.740
LGA    Y    61_A      Y    61_A    10.460     0    0.035   1.106    16.068    0.714    0.238
LGA    R    62_A      R    62_A    15.937     0    0.087   1.368    21.817    0.000    0.000
LGA    K    63_A      K    63_A    14.188     2    0.144   0.753    15.987    0.000    0.000
LGA    E    64_A      E    64_A    17.162     0    0.509   1.054    20.091    0.000    0.000
LGA    G    65_A      G    65_A    20.552     0    0.047   0.047    22.920    0.000    0.000
LGA    K    66_A      K    66_A    22.015     3    0.099   0.100    22.135    0.000    0.000
LGA    P    67_A      P    67_A    23.357     0    0.610   0.561    26.466    0.000    0.000
LGA    Y    68_A      Y    68_A    21.427     0    0.383   1.105    22.917    0.000    0.000
LGA    K    69_A      K    69_A    23.206     2    0.130   0.533    25.637    0.000    0.000
LGA    R    70_A      R    70_A    21.299     0    0.334   1.102    23.142    0.000    0.000
LGA    K    71_A      K    71_A    22.154     0    0.249   0.846    22.402    0.000    0.000
LGA    K    72_A      K    72_A    21.490     0    0.443   0.698    28.318    0.000    0.000
LGA    G    73_A      G    73_A    15.059     0    0.371   0.371    17.180    0.000    0.000
LGA    F    74_A      F    74_A    12.909     0    0.658   1.196    17.452    0.000    0.000
LGA    M    75_A      M    75_A    11.717     0    0.630   1.033    13.889    0.000    0.000
LGA    K    76_A      K    76_A    10.162     0    0.131   0.879    10.820    0.000    0.000
LGA    L    77_A      L    77_A    10.191     0    0.048   1.406    10.975    0.119    0.119
LGA    F    78_A      F    78_A    10.591     0    0.154   1.465    11.628    0.000    0.000
LGA    D    79_A      D    79_A    12.716     0    0.205   1.064    14.557    0.000    0.000
LGA    L    80_A      L    80_A    10.948     0    0.128   0.176    12.521    0.000    2.024
LGA    F    81_A      F    81_A    11.642     0    0.085   1.164    15.009    0.000    6.277

# 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):     7.458          7.513                  7.966           40.886   36.420

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     46    2.50    50.000    48.716     1.767

LGA_LOCAL      RMSD:   2.503  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.239  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   7.458  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.885580 * X  +  -0.377018 * Y  +  -0.271304 * Z  + -21.022394
  Y_new =  -0.060533 * X  +   0.672789 * Y  +  -0.737354 * Z  + -15.035568
  Z_new =   0.460526 * X  +  -0.636563 * Y  +  -0.618631 * Z  +  12.713362 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.073345 -0.478588 -2.341909   [DEG: -176.0897  -27.4210 -134.1815 ]
ZXZ: -0.352569  2.237795  2.515297   [DEG:  -20.2007  128.2162  144.1159 ]
 
# END of job
