
#######################################################
#                                                     #
#                        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:   101      84_A - 187_A       4.94     6.33
  LCS_AVERAGE:     70.37

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      86_A - 115_A       1.84     6.63
  LONGEST_CONTINUOUS_SEGMENT:    30      87_A - 116_A       2.00     6.80
  LONGEST_CONTINUOUS_SEGMENT:    30      90_A - 119_A       1.99     7.48
  LCS_AVERAGE:     11.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      88_A - 105_A       0.96     8.12
  LCS_AVERAGE:      6.88

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    7      3    3    4    4    4    6    6    8    9    9   12   12   14   18   23   27   35   37   45   49 
LCS_GDT     R    60_A     R    60_A      3    4   16      3    3    4    4    4    6    6    8   12   12   12   15   21   21   44   47   50   56   71   77 
LCS_GDT     V    61_A     V    61_A      3    4   17      3    3    4    4    7   11   20   26   31   38   50   66   76   91   99  105  110  115  117  119 
LCS_GDT     K    62_A     K    62_A      3    4   17      0    3    4    8   14   22   32   57   74   81   86   95  101  103  106  109  111  115  117  119 
LCS_GDT     L    63_A     L    63_A      4    5   17      0    4    8   15   27   49   64   69   74   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     R    64_A     R    64_A      4    5   17      3    4   11   24   34   51   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     K    65_A     K    65_A      4    5   17      3    4    6   21   40   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     H    66_A     H    66_A      4    5   17      3   10   15   18   25   32   47   61   68   79   89   95  101  103  106  109  111  115  117  119 
LCS_GDT     L    67_A     L    67_A      4    5   44      3   11   17   22   31   39   52   63   74   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     V    68_A     V    68_A      4    6   44      3    4   17   22   31   43   52   63   76   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E    69_A     E    69_A      4    7   44      3    6   17   33   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I    70_A     I    70_A      4    7   44      3   10   23   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     N    71_A     N    71_A      4    7   44      3    9   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A    72_A     A    72_A      4   10   44      3   13   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     D    73_A     D    73_A      6   10   44      3    6   17   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E    74_A     E    74_A      6   10   44      3   13   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I    75_A     I    75_A      7   10   44      3    6    7    9   25   39   59   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     T    76_A     T    76_A      7   10   44      4    6    7    9   17   28   39   48   65   80   89   94  101  103  106  109  111  115  117  119 
LCS_GDT     I    77_A     I    77_A      7   10   44      4    6    7    9   10   12   19   29   39   48   56   64   79  100  105  109  111  115  117  119 
LCS_GDT     T    78_A     T    78_A      7   10   44      4    6    7    9   11   15   19   21   38   44   53   61   69   72   81   92  105  112  117  119 
LCS_GDT     L    79_A     L    79_A      7   10   44      4    6    7    9   10   15   18   20   26   34   45   55   59   66   71   77   81   92  103  118 
LCS_GDT     S    80_A     S    80_A      7   10   44      4    6    7    9   10   12   15   17   20   24   26   28   34   35   47   60   60   63   64   74 
LCS_GDT     R    81_A     R    81_A      7   10   44      4    6    7    9   10   12   14   17   20   22   24   27   34   35   38   40   56   58   59   67 
LCS_GDT     Y    82_A     Y    82_A      4    8   86      3    3    5    7   11   17   21   23   27   33   37   44   50   55   60   70   85   98  110  115 
LCS_GDT     T    83_A     T    83_A      4    6  100      4    4    4    4    6    6   21   27   30   34   45   50   59   67   72   78   92  108  116  119 
LCS_GDT     S    84_A     S    84_A      4    6  101      4    4    4    7   13   18   22   30   38   45   57   79   93   96  106  109  111  115  117  119 
LCS_GDT     P    85_A     P    85_A      4   25  101      4    4    5    9   15   22   32   42   57   70   86   94  101  103  106  109  111  115  117  119 
LCS_GDT     E    86_A     E    86_A      4   30  101      4    6   18   29   44   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A    87_A     A    87_A     17   30  101      3   11   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L    88_A     L    88_A     18   30  101      3   12   20   32   46   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E    89_A     E    89_A     18   30  101      9   12   21   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     R    90_A     R    90_A     18   30  101      9   12   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     S    91_A     S    91_A     18   30  101      9   12   21   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I    92_A     I    92_A     18   30  101      9   12   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     T    93_A     T    93_A     18   30  101      9   12   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A    94_A     A    94_A     18   30  101      9   12   23   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L    95_A     L    95_A     18   30  101      9   12   21   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A    96_A     A    96_A     18   30  101      9   12   23   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A    97_A     A    97_A     18   30  101      9   12   20   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     M    98_A     M    98_A     18   30  101      5   12   18   29   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     T    99_A     T    99_A     18   30  101      5   12   18   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     G   100_A     G   100_A     18   30  101      5   13   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     H   101_A     H   101_A     18   30  101      3   15   22   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A   102_A     A   102_A     18   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     P   103_A     P   103_A     18   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     S   104_A     S   104_A     18   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     S   105_A     S   105_A     18   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I   106_A     I   106_A     17   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     K   107_A     K   107_A     17   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   108_A     E   108_A     17   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   109_A     E   109_A     17   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     C   110_A     C   110_A     17   30  101     13   15   19   33   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     V   111_A     V   111_A     17   30  101     13   15   19   33   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   112_A     E   112_A     17   30  101     13   15   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   113_A     L   113_A     17   30  101     13   15   19   35   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I   114_A     I   114_A     17   30  101      5   15   19   24   43   55   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     D   115_A     D   115_A     17   30  101     13   15   19   24   43   55   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     K   116_A     K   116_A     17   30  101      3    4    4   13   22   29   49   62   72   81   85   93  100  103  106  108  111  115  117  119 
LCS_GDT     L   117_A     L   117_A     17   30  101      3    9   16   17   23   30   51   62   74   81   85   94  101  103  106  109  111  115  117  119 
LCS_GDT     D   118_A     D   118_A      4   30  101      3   15   19   33   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     W   119_A     W   119_A      4   30  101      4   15   19   29   43   55   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   120_A     L   120_A      4   29  101      3    5    5   16   16   26   32   41   51   69   76   82   88   97  102  106  110  115  117  119 
LCS_GDT     R   121_A     R   121_A      4   29  101      3    7   19   31   44   55   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     V   122_A     V   122_A      4    6  101      3    4    6   13   21   45   62   69   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   123_A     E   123_A      4    6  101      3    4    5    6    7   17   25   40   64   75   89   94  101  103  106  109  111  115  117  119 
LCS_GDT     N   124_A     N   124_A      4    6  101      3    4    5    9   14   21   25   32   41   49   84   92   99  103  106  109  111  115  117  119 
LCS_GDT     D   125_A     D   125_A      4    6  101      3    4    5    6   10   14   23   27   38   45   54   64   73  100  105  109  111  115  117  119 
LCS_GDT     V   126_A     V   126_A      4    6  101      3    4    5    6    7   14   23   27   36   63   74   84   92  100  106  109  111  115  117  119 
LCS_GDT     I   127_A     I   127_A      4    6  101      3    3    4    6    6    6   11   21   38   49   80   88   96  102  106  109  111  115  117  119 
LCS_GDT     Q   128_A     Q   128_A      3    4  101      3    4   16   32   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     Y   129_A     Y   129_A      6    7  101      5    5    7   11   42   53   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     P   130_A     P   130_A      6    7  101      5    5   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     T   131_A     T   131_A      6    7  101      5    5   11   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   132_A     L   132_A      6    7  101      5    5   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     S   133_A     S   133_A      6    7  101      5   13   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     K   134_A     K   134_A      6    7  101      4    5   11   32   44   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   135_A     L   135_A      6    7  101      4    7   18   22   30   44   57   66   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   136_A     L   136_A      6    7  101      4    5    6    9   14   20   26   42   56   75   87   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   137_A     E   137_A      6    7  101      4    5    6   23   35   44   56   67   75   81   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   138_A     L   138_A      6    7  101      4    5    6   29   44   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     Y   139_A     Y   139_A      6    7  101      4    5   16   25   38   46   59   68   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     N   140_A     N   140_A      5    7  101      4    5    6   11   31   50   62   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     S   141_A     S   141_A      5    6  101      4    5    6   29   44   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     Q   142_A     Q   142_A      5    6  101      3    5    6    8   12   20   36   48   64   76   84   90   97  101  105  108  110  114  117  119 
LCS_GDT     N   143_A     N   143_A      3    5  101      3    3    3    6    8   10   19   23   26   44   58   75   79   87   93  100  105  107  113  116 
LCS_GDT     H   147_A     H   147_A      3    5  101      0    3    4    5    6   19   40   53   74   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   148_A     L   148_A      3    6  101      3   12   23   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     S   149_A     S   149_A      4    6  101      2   13   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I   150_A     I   150_A      4    6  101      4    4   10   26   40   53   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   151_A     E   151_A      4    6  101      4    4    5    7   18   31   50   66   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     K   152_A     K   152_A      4    6  101      4    4    5   10   12   22   42   60   74   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   153_A     L   153_A      4    6  101      4    4    6   10   14   22   42   60   74   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I   154_A     I   154_A      6    8  101      5    5   17   24   32   40   53   66   76   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A   155_A     A   155_A      6    8  101      5   11   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     G   156_A     G   156_A      6    8  101      5    9   21   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   157_A     L   157_A      6    8  101      5    5   12   24   33   45   55   66   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A   158_A     A   158_A      6    8  101      5    6   18   22   30   39   54   66   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     V   159_A     V   159_A      6    8  101      4    5    9   25   40   51   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     R   160_A     R   160_A      4    8  101      4    4   17   32   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     R   161_A     R   161_A      4   11  101      4    8   20   29   38   49   57   68   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     K   162_A     K   162_A      8   12  101      4    7   10   11   13   17   20   53   65   79   88   92   98  103  106  109  111  115  117  119 
LCS_GDT     V   163_A     V   163_A      8   12  101      4    7   10   13   25   47   62   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     C   164_A     C   164_A      8   12  101      4    7   16   33   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     K   165_A     K   165_A      8   12  101      4    7   12   25   40   52   62   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   166_A     L   166_A      8   12  101      4    7   16   32   45   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     V   167_A     V   167_A      8   12  101      4   13   24   36   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     Q   168_A     Q   168_A      8   12  101      3    7   15   27   39   50   62   70   75   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     D   169_A     D   169_A      8   12  101      3    5   10   11   20   34   36   53   68   72   85   91   98  103  105  109  111  115  117  119 
LCS_GDT     G   170_A     G   170_A      6   12  101      3    5   10   11   17   21   25   36   52   65   77   90   95  100  103  107  111  115  117  119 
LCS_GDT     H   171_A     H   171_A      6   14  101      3    7   15   25   35   45   56   67   75   82   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     I   172_A     I   172_A      4   14  101      3    4    4    6   17   20   25   28   35   54   70   81   88   95  103  107  110  115  117  119 
LCS_GDT     D   173_A     D   173_A     11   14  101     11   11   11   13   20   45   56   63   75   81   87   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   174_A     E   174_A     11   14  101     11   11   11   23   34   45   56   60   72   81   87   93  101  103  106  109  111  115  117  119 
LCS_GDT     T   175_A     T   175_A     11   14  101     11   11   11   30   46   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     V   176_A     V   176_A     11   14  101     11   11   11   22   46   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     Y   177_A     Y   177_A     11   14  101     11   11   11   13   20   23   56   67   75   82   89   95  101  103  106  109  111  115  117  119 
LCS_GDT     R   178_A     R   178_A     11   14  101     11   12   24   35   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A   179_A     A   179_A     11   14  101     11   11   19   32   47   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     L   180_A     L   180_A     11   14  101     11   11   11   13   17   22   42   53   73   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     D   181_A     D   181_A     11   14  101     11   11   11   13   37   50   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     E   182_A     E   182_A     11   14  101     11   11   19   32   46   57   64   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     M   183_A     M   183_A     11   14  101     11   11   11   13   17   37   49   64   74   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A   184_A     A   184_A      4   14  101      3    4    8   23   40   50   62   70   77   83   90   95  101  103  106  109  111  115  117  119 
LCS_GDT     A   185_A     A   185_A      4   13  101      3    3    4   10   22   32   40   51   68   78   88   94  101  103  106  109  111  115  117  119 
LCS_GDT     G   186_A     G   186_A      4    5  101      3    3    4    5    8   13   22   27   36   44   53   74   78   87   97  105  110  114  117  119 
LCS_GDT     A   187_A     A   187_A      4    5  101      0    3    4    5   12   17   23   27   36   45   69   74   81   92  104  109  110  115  117  119 
LCS_AVERAGE  LCS_A:  29.67  (   6.88   11.76   70.37 )

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     13     15     24     36     47     57     64     70     77     83     90     95    101    103    106    109    111    115    117    119 
GDT PERCENT_AT  10.32  11.90  19.05  28.57  37.30  45.24  50.79  55.56  61.11  65.87  71.43  75.40  80.16  81.75  84.13  86.51  88.10  91.27  92.86  94.44
GDT RMS_LOCAL    0.31   0.42   1.13   1.45   1.78   2.01   2.20   2.43   2.80   2.99   3.27   3.48   3.81   3.89   4.07   4.35   4.46   4.72   4.85   5.07
GDT RMS_ALL_AT  10.28  10.27   6.86   6.65   6.57   6.53   6.58   6.50   6.41   6.41   6.41   6.41   6.37   6.37   6.35   6.33   6.34   6.33   6.32   6.29

# Checking swapping
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  Y   129_A      Y   129_A
#   possible swapping detected:  E   151_A      E   151_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    59_A      R    59_A    19.277     6    0.538   0.582    19.934    0.000    0.000
LGA    R    60_A      R    60_A    15.558     6    0.540   0.493    17.276    0.000    0.000
LGA    V    61_A      V    61_A     9.031     0    0.616   1.247    11.301    2.857    3.810
LGA    K    62_A      K    62_A     5.989     0    0.243   0.853     6.629   23.095   22.963
LGA    L    63_A      L    63_A     4.362     0    0.650   1.056     5.427   32.976   41.310
LGA    R    64_A      R    64_A     3.686     6    0.730   0.714     5.373   53.810   21.948
LGA    K    65_A      K    65_A     3.134     0    0.373   0.825     5.756   43.690   37.354
LGA    H    66_A      H    66_A     6.397     0    0.580   0.446    11.058   22.857    9.810
LGA    L    67_A      L    67_A     5.664     0    0.628   0.522     7.185   18.571   23.690
LGA    V    68_A      V    68_A     5.426     0    0.206   1.102     8.671   35.238   22.993
LGA    E    69_A      E    69_A     1.747     0    0.571   0.882     9.838   68.810   39.259
LGA    I    70_A      I    70_A     1.204     0    0.115   1.349     5.019   79.286   63.810
LGA    N    71_A      N    71_A     1.522     0    0.229   0.915     4.517   77.143   64.107
LGA    A    72_A      A    72_A     0.362     0    0.434   0.593     2.609   86.905   89.524
LGA    D    73_A      D    73_A     1.956     0    0.369   0.921     4.997   71.071   55.893
LGA    E    74_A      E    74_A     1.506     0    0.356   1.270     7.943   69.524   41.587
LGA    I    75_A      I    75_A     4.606     0    0.080   1.252     7.285   32.857   27.560
LGA    T    76_A      T    76_A     7.876     0    0.037   0.136     9.644    5.595    5.510
LGA    I    77_A      I    77_A    11.285     0    0.108   0.982    12.206    0.119    0.060
LGA    T    78_A      T    78_A    13.439     0    0.054   1.031    15.310    0.000    0.000
LGA    L    79_A      L    79_A    15.060     0    0.073   0.151    16.807    0.000    0.000
LGA    S    80_A      S    80_A    19.370     0    0.029   0.107    20.550    0.000    0.000
LGA    R    81_A      R    81_A    21.041     0    0.374   1.082    33.377    0.000    0.000
LGA    Y    82_A      Y    82_A    14.089     0    0.099   1.361    16.703    0.000    0.000
LGA    T    83_A      T    83_A    13.149     0    0.584   0.907    16.746    0.000    0.000
LGA    S    84_A      S    84_A    10.400     0    0.038   0.601    11.059    1.071    1.746
LGA    P    85_A      P    85_A     7.937     0    0.079   0.129    10.121   14.405    8.912
LGA    E    86_A      E    86_A     2.988     0    0.559   0.873     9.954   45.714   28.942
LGA    A    87_A      A    87_A     1.188     0    0.373   0.392     2.058   77.381   76.476
LGA    L    88_A      L    88_A     2.547     0    0.161   1.433     7.423   64.881   47.857
LGA    E    89_A      E    89_A     2.132     0    0.066   0.359     3.662   68.810   60.053
LGA    R    90_A      R    90_A     1.980     0    0.020   0.965     4.292   70.833   60.649
LGA    S    91_A      S    91_A     1.911     0    0.013   0.070     2.446   75.000   71.587
LGA    I    92_A      I    92_A     1.202     0    0.047   1.392     3.873   85.952   74.702
LGA    T    93_A      T    93_A     0.169     0    0.041   0.077     0.727   97.619   97.279
LGA    A    94_A      A    94_A     1.073     0    0.042   0.049     1.494   83.690   83.238
LGA    L    95_A      L    95_A     1.395     0    0.036   0.096     1.666   81.429   78.214
LGA    A    96_A      A    96_A     0.829     0    0.025   0.054     1.350   85.952   86.857
LGA    A    97_A      A    97_A     1.602     0    0.089   0.111     2.140   72.976   72.952
LGA    M    98_A      M    98_A     2.495     0    0.037   0.137     4.285   62.857   52.381
LGA    T    99_A      T    99_A     2.034     0    0.154   0.189     3.816   75.119   64.422
LGA    G   100_A      G   100_A     0.610     0    0.060   0.060     1.752   83.810   83.810
LGA    H   101_A      H   101_A     2.139     5    0.040   0.051     2.621   72.976   34.905
LGA    A   102_A      A   102_A     2.125     0    0.016   0.030     2.557   68.810   66.476
LGA    P   103_A      P   103_A     1.430     0    0.081   0.097     1.721   79.286   78.980
LGA    S   104_A      S   104_A     1.648     0    0.023   0.689     1.959   75.000   77.222
LGA    S   105_A      S   105_A     1.943     0    0.069   0.643     3.620   72.857   66.587
LGA    I   106_A      I   106_A     1.621     0    0.038   0.069     2.059   75.000   71.905
LGA    K   107_A      K   107_A     1.243     0    0.028   0.757     3.430   81.429   73.492
LGA    E   108_A      E   108_A     1.329     3    0.047   0.734     1.520   81.429   54.339
LGA    E   109_A      E   109_A     1.495     0    0.034   0.592     3.040   77.143   68.677
LGA    C   110_A      C   110_A     2.229     0    0.044   0.054     2.800   64.881   62.302
LGA    V   111_A      V   111_A     2.254     0    0.022   0.092     2.771   64.762   62.585
LGA    E   112_A      E   112_A     1.455     0    0.033   0.569     3.293   75.000   74.180
LGA    L   113_A      L   113_A     2.009     0    0.029   0.849     5.972   64.881   52.500
LGA    I   114_A      I   114_A     3.414     0    0.091   0.252     4.565   51.786   46.071
LGA    D   115_A      D   115_A     3.157     0    0.559   0.791     3.430   51.786   53.571
LGA    K   116_A      K   116_A     6.111     2    0.596   0.545    11.776   22.857   10.635
LGA    L   117_A      L   117_A     6.060     0    0.154   0.398    10.332   25.714   14.643
LGA    D   118_A      D   118_A     2.354     0    0.422   1.260     5.872   53.810   45.595
LGA    W   119_A      W   119_A     3.552     0    0.667   1.425     6.543   34.167   36.054
LGA    L   120_A      L   120_A     7.898     0    0.709   0.546    14.245   14.643    7.321
LGA    R   121_A      R   121_A     3.627     0    0.088   1.121     7.109   33.214   38.571
LGA    V   122_A      V   122_A     4.844     0    0.580   0.641     7.613   27.500   30.952
LGA    E   123_A      E   123_A     7.182     4    0.492   0.508     7.728   11.429    6.190
LGA    N   124_A      N   124_A     8.108     0    0.157   0.289     9.424    4.048    6.429
LGA    D   125_A      D   125_A     9.580     0    0.196   1.086    10.491    2.738    2.143
LGA    V   126_A      V   126_A     8.807     0    0.637   0.522    10.753    2.619    1.565
LGA    I   127_A      I   127_A     8.170     0    0.642   0.987    13.536   11.548    5.833
LGA    Q   128_A      Q   128_A     2.481     0    0.631   1.169     4.958   58.690   47.672
LGA    Y   129_A      Y   129_A     3.458     0    0.605   1.330    12.917   61.548   24.206
LGA    P   130_A      P   130_A     2.490     0    0.094   0.430     4.689   67.262   56.395
LGA    T   131_A      T   131_A     2.273     0    0.037   0.106     3.480   68.810   60.748
LGA    L   132_A      L   132_A     1.884     0    0.148   1.451     5.002   79.762   66.548
LGA    S   133_A      S   133_A     1.292     0    0.578   0.556     2.212   79.524   75.952
LGA    K   134_A      K   134_A     2.751     4    0.638   0.592     5.582   47.857   23.651
LGA    L   135_A      L   135_A     5.882     0    0.195   0.817    13.581   26.310   13.512
LGA    L   136_A      L   136_A     6.670     0    0.059   1.272    12.688   19.524   10.357
LGA    E   137_A      E   137_A     4.980     4    0.185   0.182     6.074   38.929   19.206
LGA    L   138_A      L   138_A     2.623     3    0.413   0.395     5.020   56.071   31.310
LGA    Y   139_A      Y   139_A     5.331     0    0.082   1.386    16.970   29.881   10.833
LGA    N   140_A      N   140_A     3.868     0    0.032   0.179     7.726   52.143   34.167
LGA    S   141_A      S   141_A     2.863     0    0.261   0.597     7.403   42.500   37.143
LGA    Q   142_A      Q   142_A     9.248     4    0.543   0.523    12.591    3.690    1.693
LGA    N   143_A      N   143_A    13.792     3    0.569   0.512    15.029    0.000    0.000
LGA    H   147_A      H   147_A     5.996     0    0.037   0.443     7.826   22.976   15.286
LGA    L   148_A      L   148_A     0.659     0    0.619   1.365     4.387   70.000   65.536
LGA    S   149_A      S   149_A     2.145     0    0.539   0.967     5.195   71.310   58.095
LGA    I   150_A      I   150_A     3.564     0    0.603   1.545     7.313   40.238   39.524
LGA    E   151_A      E   151_A     5.798     0    0.167   1.034     7.121   19.762   16.667
LGA    K   152_A      K   152_A     6.084     0    0.158   0.699     7.714   17.619   17.407
LGA    L   153_A      L   153_A     5.528     0    0.569   1.444     9.763   22.857   17.024
LGA    I   154_A      I   154_A     5.319     0    0.579   0.719     9.760   35.952   20.417
LGA    A   155_A      A   155_A     1.082     0    0.034   0.037     2.659   77.619   78.381
LGA    G   156_A      G   156_A     2.414     0    0.053   0.053     3.011   59.167   59.167
LGA    L   157_A      L   157_A     5.404     0    0.077   0.137     9.051   26.667   16.667
LGA    A   158_A      A   158_A     5.702     0    0.124   0.121     6.153   24.048   22.667
LGA    V   159_A      V   159_A     3.996     0    0.606   1.491     5.585   36.310   41.633
LGA    R   160_A      R   160_A     2.299     0    0.547   1.203    13.853   73.095   32.338
LGA    R   161_A      R   161_A     4.979     0    0.259   1.301    16.330   28.929   12.208
LGA    K   162_A      K   162_A     7.945     0    0.107   0.897    15.440   10.952    4.921
LGA    V   163_A      V   163_A     4.245     0    0.077   0.165     6.658   48.333   37.755
LGA    C   164_A      C   164_A     1.821     0    0.038   0.069     2.748   66.905   64.921
LGA    K   165_A      K   165_A     4.027     0    0.078   0.763    12.530   41.905   22.804
LGA    L   166_A      L   166_A     2.926     0    0.042   0.942     4.494   57.262   50.476
LGA    V   167_A      V   167_A     2.270     0    0.044   0.172     4.594   56.905   58.163
LGA    Q   168_A      Q   168_A     4.502     0    0.086   0.733     7.799   26.429   31.852
LGA    D   169_A      D   169_A     8.771     0    0.074   0.453    11.220    4.167    2.679
LGA    G   170_A      G   170_A     9.716     0    0.551   0.551    10.271    1.548    1.548
LGA    H   171_A      H   171_A     5.632     0    0.239   1.547     7.009   14.524   24.048
LGA    I   172_A      I   172_A     9.404     0    0.201   0.730    13.119    3.929    1.964
LGA    D   173_A      D   173_A     6.210     0    0.541   1.299     7.443   18.690   20.714
LGA    E   174_A      E   174_A     6.393     4    0.041   0.057     7.766   25.714   12.222
LGA    T   175_A      T   175_A     2.820     0    0.021   1.152     4.218   66.548   58.639
LGA    V   176_A      V   176_A     2.792     0    0.038   0.106     5.836   55.833   47.415
LGA    Y   177_A      Y   177_A     5.097     7    0.034   0.059     6.733   37.500   13.611
LGA    R   178_A      R   178_A     2.423     0    0.025   1.410     4.538   73.929   54.632
LGA    A   179_A      A   179_A     2.487     0    0.023   0.023     4.115   60.595   58.476
LGA    L   180_A      L   180_A     5.287     0    0.030   0.168     8.423   30.595   19.881
LGA    D   181_A      D   181_A     3.508     0    0.046   0.111     5.996   48.452   39.762
LGA    E   182_A      E   182_A     2.626     0    0.222   0.513     4.391   49.048   49.841
LGA    M   183_A      M   183_A     6.400     0    0.575   0.903     9.406   16.310   10.833
LGA    A   184_A      A   184_A     4.168     0    0.606   0.558     6.556   27.262   33.238
LGA    A   185_A      A   185_A     8.675     0    0.110   0.132    11.730    4.048    3.333
LGA    G   186_A      G   186_A    12.038     0    0.684   0.684    12.038    0.000    0.000
LGA    A   187_A      A   187_A    11.567     0    0.170   0.220    13.714    0.000    0.000

# 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):     6.266          6.170                  7.103           42.696   35.882

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  187  126    4.0     70    2.43    45.635    40.001     2.768

LGA_LOCAL      RMSD:   2.428  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.498  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   6.266  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.032781 * X  +   0.990661 * Y  +  -0.132351 * Z  + -39.205158
  Y_new =  -0.173774 * X  +   0.136055 * Y  +   0.975342 * Z  +  25.790485
  Z_new =   0.984240 * X  +  -0.008973 * Y  +   0.176612 * Z  +  26.471298 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.384347 -1.393022 -0.050765   [DEG:  -79.3172  -79.8143   -2.9086 ]
ZXZ: -3.006719  1.393254  1.579913   [DEG: -172.2723   79.8275   90.5224 ]
 
# END of job
