
#######################################################
#                                                     #
#                        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  187 ( 1458),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  936),  selected  126 , 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:   118      67_A - 187_A       4.84     7.06
  LCS_AVERAGE:     88.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69     116_A - 187_A       1.96     7.65
  LCS_AVERAGE:     40.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65     120_A - 187_A       1.00     8.02
  LCS_AVERAGE:     35.50

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     R    59_A     R    59_A      3    4   10      3    3    6   11   14   20   25   28   32   35   39   45   60   66   68   70   76   86   93  102 
LCS_GDT     R    60_A     R    60_A      3    4   10      3    3    4    5    5   19   24   26   32   33   39   45   51   53   57   70   74   77   83   87 
LCS_GDT     V    61_A     V    61_A      3    4   10      3    3    4    5    8   19   22   28   32   35   39   45   51   53   57   61   65   67   83   87 
LCS_GDT     K    62_A     K    62_A      3    4   10      1    4    4    4    5    5    6    6   14   23   38   45   51   53   57   61   65   76   93   99 
LCS_GDT     L    63_A     L    63_A      3    4   10      0    4    4    4    5    6    9   13   32   33   38   45   51   53   57   61   65   82   93   99 
LCS_GDT     R    64_A     R    64_A      4    5   12      3    4    4    5    5    5    6   13   19   23   26   28   31   36   43   55   65   67   68   90 
LCS_GDT     K    65_A     K    65_A      4    5   12      3    4    4    5    5    5    6    7    9   11   13   15   18   20   21   27   29   38   49   50 
LCS_GDT     H    66_A     H    66_A      4    5   12      3    4    4    5    5    5    6    7    9   11   13   15   17   28   31   33   43   44   64   65 
LCS_GDT     L    67_A     L    67_A      4    5  118      3    4    4    5    5    6    9   13   32   35   39   45   51   53   57   61   73   77   93   99 
LCS_GDT     V    68_A     V    68_A      3    5  118      0    3    3   11   17   20   25   28   32   35   39   62   65   68   71   84   93   96   98  106 
LCS_GDT     E    69_A     E    69_A      3    3  118      1    3    3    4   16   20   41   65   69   69   72   76   86  102  109  111  112  112  113  115 
LCS_GDT     I    70_A     I    70_A      3    3  118      1    3   21   66   67   67   69   70   81   90   97  105  108  109  110  111  112  112  113  115 
LCS_GDT     N    71_A     N    71_A      3    4  118      3    3    3   15   32   37   39   44   51   61   80  101  108  109  110  111  112  112  113  115 
LCS_GDT     A    72_A     A    72_A      4    5  118      3    4    4    5    5    6    7   11   38   40   49   55   59   68   82   93  109  111  113  115 
LCS_GDT     D    73_A     D    73_A      4    5  118      3    4    4    5    5    5    5    7    7   11   20   25   44   48   55   90  109  111  113  115 
LCS_GDT     E    74_A     E    74_A      4    5  118      3    4    4    5    5    5    5    9    9   12   13   15   18   20   23   46   59   70   91  101 
LCS_GDT     I    75_A     I    75_A      4    5  118      3    4    4    5    5    6    6   11   15   17   20   40   46   48   53   93   96  111  113  115 
LCS_GDT     T    76_A     T    76_A      3    5  118      1    4    4    5    5   14   19   36   42   47   70   75   92   99  103  111  112  112  113  115 
LCS_GDT     I    77_A     I    77_A      3   42  118      1    3    3    9   13   26   33   68   77   86   98  104  108  109  110  111  112  112  113  115 
LCS_GDT     T    78_A     T    78_A      3   42  118      1    3    6   18   33   37   61   71   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L    79_A     L    79_A      3   42  118      1    3   12   30   36   37   40   62   74   78   95  104  108  109  110  111  112  112  113  115 
LCS_GDT     S    80_A     S    80_A      4   42  118      4    5    6    7    9   60   66   68   71   75   82   93  101  109  110  111  112  112  113  115 
LCS_GDT     R    81_A     R    81_A      4   42  118      4   53   62   66   67   67   69   74   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     Y    82_A     Y    82_A     36   42  118      4   10   48   65   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     T    83_A     T    83_A     36   42  118      4    6    8   15   34   60   66   68   81   88   98  105  108  109  110  111  112  112  113  115 
LCS_GDT     S    84_A     S    84_A     36   42  118     15   26   35   35   38   60   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     P    85_A     P    85_A     36   42  118     15   28   35   35   36   53   67   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E    86_A     E    86_A     36   42  118     15   30   35   35   36   40   50   65   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A    87_A     A    87_A     36   42  118     15   30   35   35   36   40   66   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L    88_A     L    88_A     36   42  118     15   30   35   35   41   60   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E    89_A     E    89_A     36   42  118     16   30   35   35   36   40   53   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     R    90_A     R    90_A     36   42  118     16   30   35   35   36   40   50   69   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     S    91_A     S    91_A     36   42  118     16   30   35   35   42   61   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     I    92_A     I    92_A     36   42  118     16   30   35   35   41   60   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     T    93_A     T    93_A     36   42  118     15   30   35   35   36   40   50   74   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A    94_A     A    94_A     36   42  118     15   30   35   35   36   46   66   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L    95_A     L    95_A     36   42  118     16   30   35   35   49   63   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A    96_A     A    96_A     36   42  118     15   30   35   35   36   56   67   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A    97_A     A    97_A     36   42  118     15   28   35   35   36   46   66   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     M    98_A     M    98_A     36   42  118      5   30   35   35   38   61   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     T    99_A     T    99_A     36   42  118     15   30   35   35   48   63   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     G   100_A     G   100_A     36   42  118     16   30   35   35   41   60   68   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     H   101_A     H   101_A     36   42  118     16   30   35   35   36   55   67   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A   102_A     A   102_A     36   42  118     16   30   35   35   36   45   61   75   83   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     P   103_A     P   103_A     36   42  118     16   30   35   35   36   45   61   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     S   104_A     S   104_A     36   42  118     16   30   35   35   36   40   48   63   82   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     S   105_A     S   105_A     36   42  118     16   30   35   35   36   40   51   67   82   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     I   106_A     I   106_A     36   42  118     16   30   35   35   36   54   66   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     K   107_A     K   107_A     36   42  118     16   30   35   35   36   46   65   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   108_A     E   108_A     36   42  118     12   30   35   35   36   40   47   61   79   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   109_A     E   109_A     36   42  118     15   30   35   35   36   40   56   69   82   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     C   110_A     C   110_A     36   42  118     16   30   35   35   36   53   66   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     V   111_A     V   111_A     36   42  118     16   30   35   35   36   40   54   72   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   112_A     E   112_A     36   42  118     15   30   35   35   36   40   49   56   76   88   98  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   113_A     L   113_A     36   42  118     16   30   35   35   36   40   49   69   78   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     I   114_A     I   114_A     36   42  118     14   30   35   35   36   51   66   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     D   115_A     D   115_A     36   42  118     14   30   35   35   36   40   50   65   82   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     K   116_A     K   116_A     36   69  118      8   30   35   35   36   40   49   56   67   84   97  104  108  109  110  111  112  112  113  115 
LCS_GDT     L   117_A     L   117_A     36   69  118      4   30   35   35   36   40   50   69   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     D   118_A     D   118_A     33   69  118      5   11   17   35   56   65   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     W   119_A     W   119_A      3   69  118      0    3    4    8   14   32   51   69   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   120_A     L   120_A     65   69  118      5   24   57   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     R   121_A     R   121_A     65   69  118     34   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     V   122_A     V   122_A     65   69  118     15   58   62   66   67   67   69   74   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   123_A     E   123_A     65   69  118      6   27   60   66   67   67   69   73   83   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     N   124_A     N   124_A     65   69  118      4   27   62   66   67   67   69   73   81   90   98  105  108  109  110  111  112  112  113  115 
LCS_GDT     D   125_A     D   125_A     65   69  118     43   58   62   66   67   67   69   72   77   89   96  105  108  109  110  111  112  112  113  115 
LCS_GDT     V   126_A     V   126_A     65   69  118      6   58   62   66   67   67   69   73   83   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     I   127_A     I   127_A     65   69  118     41   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     Q   128_A     Q   128_A     65   69  118     34   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     Y   129_A     Y   129_A     65   69  118     37   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     P   130_A     P   130_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     T   131_A     T   131_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   132_A     L   132_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     S   133_A     S   133_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     K   134_A     K   134_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   135_A     L   135_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   136_A     L   136_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   137_A     E   137_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   138_A     L   138_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     Y   139_A     Y   139_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     N   140_A     N   140_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     S   141_A     S   141_A     65   69  118     36   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     Q   142_A     Q   142_A     65   69  118     16   57   62   66   67   67   69   73   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     N   143_A     N   143_A     65   69  118      6   52   62   66   67   67   69   72   81   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     H   147_A     H   147_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   148_A     L   148_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     S   149_A     S   149_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     I   150_A     I   150_A     65   69  118     39   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   151_A     E   151_A     65   69  118     39   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     K   152_A     K   152_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   153_A     L   153_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     I   154_A     I   154_A     65   69  118     42   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A   155_A     A   155_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     G   156_A     G   156_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   157_A     L   157_A     65   69  118     39   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A   158_A     A   158_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     V   159_A     V   159_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     R   160_A     R   160_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     R   161_A     R   161_A     65   69  118     43   58   62   66   67   67   69   74   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     K   162_A     K   162_A     65   69  118     43   58   62   66   67   67   69   74   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     V   163_A     V   163_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     C   164_A     C   164_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     K   165_A     K   165_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   166_A     L   166_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     V   167_A     V   167_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     Q   168_A     Q   168_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     D   169_A     D   169_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     G   170_A     G   170_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     H   171_A     H   171_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     I   172_A     I   172_A     65   69  118     29   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     D   173_A     D   173_A     65   69  118     29   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   174_A     E   174_A     65   69  118     21   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     T   175_A     T   175_A     65   69  118     41   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     V   176_A     V   176_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     Y   177_A     Y   177_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     R   178_A     R   178_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A   179_A     A   179_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     L   180_A     L   180_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     D   181_A     D   181_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     E   182_A     E   182_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     M   183_A     M   183_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A   184_A     A   184_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A   185_A     A   185_A     65   69  118     43   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     G   186_A     G   186_A     65   69  118     42   58   62   66   67   67   69   75   84   92  100  105  108  109  110  111  112  112  113  115 
LCS_GDT     A   187_A     A   187_A     65   69  118      0    3   16   28   43   65   69   70   78   89  100  105  108  109  110  111  112  112  113  115 
LCS_AVERAGE  LCS_A:  54.85  (  35.50   40.81   88.25 )

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     43     58     62     66     67     67     69     75     84     92    100    105    108    109    110    111    112    112    113    115 
GDT PERCENT_AT  34.13  46.03  49.21  52.38  53.17  53.17  54.76  59.52  66.67  73.02  79.37  83.33  85.71  86.51  87.30  88.10  88.89  88.89  89.68  91.27
GDT RMS_LOCAL    0.33   0.47   0.58   0.79   0.86   0.86   1.26   2.60   2.85   3.09   3.41   3.59   3.71   3.77   3.82   3.90   4.01   4.01   4.12   4.31
GDT RMS_ALL_AT   8.25   8.11   8.13   8.03   8.00   8.00   7.88   7.38   7.42   7.40   7.33   7.28   7.25   7.22   7.21   7.20   7.15   7.15   7.13   7.13

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   151_A      E   151_A
#   possible swapping detected:  E   182_A      E   182_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    21.763     6    0.087   0.098    24.338    0.000    0.000
LGA    R    60_A      R    60_A    19.990     6    0.135   0.129    21.538    0.000    0.000
LGA    V    61_A      V    61_A    22.154     0    0.608   0.654    25.746    0.000    0.000
LGA    K    62_A      K    62_A    20.525     0    0.609   0.713    23.399    0.000    0.000
LGA    L    63_A      L    63_A    21.274     0    0.603   0.562    25.293    0.000    0.000
LGA    R    64_A      R    64_A    22.466     6    0.610   0.612    23.516    0.000    0.000
LGA    K    65_A      K    65_A    26.219     0    0.047   0.318    36.314    0.000    0.000
LGA    H    66_A      H    66_A    22.526     0    0.134   0.201    30.078    0.000    0.000
LGA    L    67_A      L    67_A    16.433     0    0.631   0.694    18.854    0.000    0.000
LGA    V    68_A      V    68_A    15.752     0    0.647   0.881    18.892    0.000    0.000
LGA    E    69_A      E    69_A    11.169     0    0.604   0.660    15.315    0.119    0.053
LGA    I    70_A      I    70_A     6.790     0    0.598   0.699    10.937   16.667   10.298
LGA    N    71_A      N    71_A     8.381     0    0.597   0.677    11.512    3.095    4.107
LGA    A    72_A      A    72_A    11.357     0    0.581   0.549    11.357    0.119    0.095
LGA    D    73_A      D    73_A    11.211     0    0.301   1.073    11.994    0.000    0.000
LGA    E    74_A      E    74_A    12.116     0    0.136   0.835    15.019    0.000    0.000
LGA    I    75_A      I    75_A    10.609     0    0.557   0.745    12.327    0.000    0.060
LGA    T    76_A      T    76_A     8.971     0    0.618   0.531    10.516    3.929    2.449
LGA    I    77_A      I    77_A     5.688     0    0.626   0.722     7.475   17.500   23.810
LGA    T    78_A      T    78_A     4.807     0    0.605   0.560     5.167   30.119   33.129
LGA    L    79_A      L    79_A     6.349     0    0.653   0.685    11.411   13.690    7.679
LGA    S    80_A      S    80_A     6.937     0    0.610   0.579     7.884   20.595   17.143
LGA    R    81_A      R    81_A     3.934     0    0.085   0.987     6.589   46.071   35.801
LGA    Y    82_A      Y    82_A     2.668     0    0.025   0.117     3.861   51.786   53.810
LGA    T    83_A      T    83_A     5.036     0    0.582   0.810     6.748   31.667   24.898
LGA    S    84_A      S    84_A     2.808     0    0.036   0.079     4.050   57.143   51.508
LGA    P    85_A      P    85_A     3.646     0    0.042   0.058     4.240   41.905   42.585
LGA    E    86_A      E    86_A     5.131     0    0.099   0.154     6.564   30.119   23.439
LGA    A    87_A      A    87_A     3.881     0    0.056   0.061     4.205   45.119   44.762
LGA    L    88_A      L    88_A     2.490     0    0.080   0.126     3.482   59.048   58.155
LGA    E    89_A      E    89_A     4.526     0    0.045   0.902     6.043   37.262   28.519
LGA    R    90_A      R    90_A     4.630     0    0.023   1.072     8.494   37.381   24.632
LGA    S    91_A      S    91_A     2.500     0    0.012   0.654     3.237   61.071   61.190
LGA    I    92_A      I    92_A     2.802     0    0.048   0.132     4.461   55.476   48.690
LGA    T    93_A      T    93_A     4.577     0    0.028   0.074     6.224   37.262   30.544
LGA    A    94_A      A    94_A     3.862     0    0.030   0.028     4.076   46.667   44.762
LGA    L    95_A      L    95_A     1.861     0    0.040   0.118     2.898   68.810   65.893
LGA    A    96_A      A    96_A     3.253     0    0.032   0.061     4.032   51.786   48.857
LGA    A    97_A      A    97_A     4.110     0    0.056   0.075     5.130   43.452   40.000
LGA    M    98_A      M    98_A     3.021     0    0.021   0.770     5.700   57.262   44.643
LGA    T    99_A      T    99_A     2.264     0    0.037   0.042     2.808   62.857   61.497
LGA    G   100_A      G   100_A     2.677     0    0.036   0.036     4.111   52.262   52.262
LGA    H   101_A      H   101_A     4.008     5    0.018   0.029     4.324   40.357   20.476
LGA    A   102_A      A   102_A     5.646     0    0.043   0.086     6.506   25.000   22.667
LGA    P   103_A      P   103_A     5.241     0    0.072   0.084     5.824   25.000   23.469
LGA    S   104_A      S   104_A     7.420     0    0.022   0.166     8.393   10.833    9.206
LGA    S   105_A      S   105_A     6.946     0    0.084   0.485     8.935   15.238   12.857
LGA    I   106_A      I   106_A     4.487     0    0.022   0.698     5.373   32.976   39.405
LGA    K   107_A      K   107_A     5.182     0    0.032   0.294     8.091   25.119   18.995
LGA    E   108_A      E   108_A     7.499     3    0.060   0.694     8.371   10.119    6.138
LGA    E   109_A      E   109_A     6.691     0    0.042   0.382     7.403   16.310   14.339
LGA    C   110_A      C   110_A     4.181     0    0.035   0.068     4.928   34.286   41.984
LGA    V   111_A      V   111_A     5.763     0    0.016   0.041     7.311   20.476   17.483
LGA    E   112_A      E   112_A     7.810     0    0.035   0.914    11.392    8.571    4.868
LGA    L   113_A      L   113_A     6.536     0    0.028   0.163     8.366   16.310   15.238
LGA    I   114_A      I   114_A     4.074     0    0.050   0.133     4.858   32.857   46.012
LGA    D   115_A      D   115_A     6.702     0    0.106   0.900     7.987   12.976   12.857
LGA    K   116_A      K   116_A     8.020     2    0.128   0.117     9.652    7.976    4.074
LGA    L   117_A      L   117_A     5.588     0    0.714   0.641     7.023   21.786   22.679
LGA    D   118_A      D   118_A     2.089     0    0.675   0.569     3.850   57.262   56.786
LGA    W   119_A      W   119_A     5.407     0    0.691   0.539    16.422   37.500   11.054
LGA    L   120_A      L   120_A     1.890     0    0.621   0.566     3.432   62.976   59.226
LGA    R   121_A      R   121_A     3.350     0    0.034   0.931     7.623   51.786   37.359
LGA    V   122_A      V   122_A     3.832     0    0.158   0.203     5.295   37.500   40.952
LGA    E   123_A      E   123_A     4.616     4    0.029   0.052     4.905   34.286   18.730
LGA    N   124_A      N   124_A     4.964     0    0.067   0.244     6.487   28.810   26.429
LGA    D   125_A      D   125_A     5.492     0    0.053   0.747     5.911   30.238   26.429
LGA    V   126_A      V   126_A     4.502     0    0.042   0.082     5.610   34.286   30.136
LGA    I   127_A      I   127_A     2.965     0    0.032   0.096     3.426   53.571   56.310
LGA    Q   128_A      Q   128_A     2.702     0    0.062   0.982     5.482   59.048   56.455
LGA    Y   129_A      Y   129_A     2.665     0    0.021   0.150     3.098   59.048   55.992
LGA    P   130_A      P   130_A     2.457     0    0.041   0.063     2.756   62.857   60.408
LGA    T   131_A      T   131_A     1.863     0    0.023   0.066     2.123   72.976   71.769
LGA    L   132_A      L   132_A     1.706     0    0.047   0.168     1.936   72.857   72.857
LGA    S   133_A      S   133_A     2.032     0    0.066   0.582     4.029   70.833   64.206
LGA    K   134_A      K   134_A     1.497     4    0.069   0.069     1.731   79.286   44.286
LGA    L   135_A      L   135_A     0.681     0    0.030   0.140     1.114   85.952   91.786
LGA    L   136_A      L   136_A     1.616     0    0.032   0.331     3.403   72.976   66.131
LGA    E   137_A      E   137_A     2.195     4    0.019   0.033     2.371   66.786   36.878
LGA    L   138_A      L   138_A     1.837     3    0.026   0.024     2.152   70.833   44.524
LGA    Y   139_A      Y   139_A     1.878     0    0.028   0.090     2.614   66.905   72.302
LGA    N   140_A      N   140_A     2.897     0    0.028   0.083     3.699   53.810   56.429
LGA    S   141_A      S   141_A     3.714     0    0.175   0.175     4.002   43.452   44.524
LGA    Q   142_A      Q   142_A     4.192     4    0.152   0.149     4.436   38.690   22.011
LGA    N   143_A      N   143_A     4.687     3    0.019   0.039     5.038   30.119   19.702
LGA    H   147_A      H   147_A     2.825     0    0.105   1.171     5.187   59.048   50.095
LGA    L   148_A      L   148_A     2.317     0    0.047   0.082     2.911   59.048   69.167
LGA    S   149_A      S   149_A     2.951     0    0.026   0.136     3.324   59.048   57.222
LGA    I   150_A      I   150_A     2.970     0    0.046   0.417     3.567   55.357   51.845
LGA    E   151_A      E   151_A     3.056     0    0.022   0.346     5.103   53.571   44.656
LGA    K   152_A      K   152_A     2.335     0    0.038   0.665     2.795   66.905   62.328
LGA    L   153_A      L   153_A     1.777     0    0.048   0.089     1.971   72.857   73.929
LGA    I   154_A      I   154_A     2.434     0    0.030   0.131     3.403   60.952   57.262
LGA    A   155_A      A   155_A     2.699     0    0.040   0.052     2.811   60.952   60.190
LGA    G   156_A      G   156_A     1.623     0    0.095   0.095     1.906   72.857   72.857
LGA    L   157_A      L   157_A     1.967     0    0.056   0.072     2.411   68.810   70.893
LGA    A   158_A      A   158_A     3.026     0    0.103   0.116     3.287   51.786   51.429
LGA    V   159_A      V   159_A     3.024     0    0.117   0.186     3.164   53.571   55.170
LGA    R   160_A      R   160_A     2.760     0    0.099   0.867     3.091   55.357   62.165
LGA    R   161_A      R   161_A     4.083     0    0.097   0.964    10.140   41.786   25.108
LGA    K   162_A      K   162_A     3.857     0    0.029   0.753     4.087   46.667   44.868
LGA    V   163_A      V   163_A     2.318     0    0.014   0.042     2.856   62.857   67.211
LGA    C   164_A      C   164_A     2.738     0    0.020   0.066     3.022   57.143   55.952
LGA    K   165_A      K   165_A     3.395     0    0.025   0.532     4.947   50.000   41.640
LGA    L   166_A      L   166_A     2.748     0    0.053   0.152     3.647   59.167   55.536
LGA    V   167_A      V   167_A     1.955     0    0.012   0.035     2.230   66.786   70.612
LGA    Q   168_A      Q   168_A     2.693     0    0.013   0.358     3.563   59.048   53.280
LGA    D   169_A      D   169_A     2.729     0    0.032   0.119     3.969   60.952   52.976
LGA    G   170_A      G   170_A     1.847     0    0.067   0.067     2.155   70.833   70.833
LGA    H   171_A      H   171_A     2.204     0    0.022   1.045     4.356   64.762   61.476
LGA    I   172_A      I   172_A     1.327     0    0.061   0.708     2.586   79.286   78.452
LGA    D   173_A      D   173_A     1.864     0    0.051   0.206     2.460   72.857   69.821
LGA    E   174_A      E   174_A     2.110     4    0.011   0.023     2.398   66.786   36.878
LGA    T   175_A      T   175_A     2.165     0    0.018   0.274     2.984   68.810   65.986
LGA    V   176_A      V   176_A     1.622     0    0.017   0.077     2.009   75.000   74.150
LGA    Y   177_A      Y   177_A     1.590     7    0.011   0.021     1.782   72.857   30.357
LGA    R   178_A      R   178_A     1.868     0    0.033   0.803     3.918   72.857   65.844
LGA    A   179_A      A   179_A     1.313     0    0.032   0.037     1.546   79.286   79.714
LGA    L   180_A      L   180_A     0.986     0    0.027   0.064     1.153   83.690   88.274
LGA    D   181_A      D   181_A     1.608     0    0.033   0.361     2.034   79.286   75.060
LGA    E   182_A      E   182_A     1.153     0    0.031   0.269     2.136   85.952   78.783
LGA    M   183_A      M   183_A     0.611     0    0.065   0.193     1.081   88.214   89.345
LGA    A   184_A      A   184_A     1.505     0    0.048   0.073     1.847   75.000   74.571
LGA    A   185_A      A   185_A     1.535     0    0.106   0.135     1.541   79.286   78.000
LGA    G   186_A      G   186_A     0.981     0    0.626   0.626     3.646   70.000   70.000
LGA    A   187_A      A   187_A     5.923     0    0.126   0.117     6.679   24.881   23.333

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     936    936  100.00               126
SUMMARY(RMSD_GDC):     6.756          6.680                  7.332           43.930   40.309

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     75    2.60    61.508    57.386     2.774

LGA_LOCAL      RMSD:   2.604  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.383  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   6.756  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.008080 * X  +   0.543768 * Y  +   0.839196 * Z  + -14.935903
  Y_new =   0.998746 * X  +  -0.045862 * Y  +   0.020101 * Z  +  16.919653
  Z_new =   0.049418 * X  +   0.837981 * Y  +  -0.543457 * Z  +  15.661143 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.562706 -0.049438  2.146138   [DEG:   89.5365   -2.8326  122.9647 ]
ZXZ:  1.594744  2.145346  0.058904   [DEG:   91.3721  122.9193    3.3750 ]
 
# END of job
