
#######################################################
#                                                     #
#                        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  117 (  972),  selected  117 , name one
# Molecule2: number of CA atoms  179 ( 1442),  selected  117 , 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:   117      61_A - 177_A       4.33     4.33
  LCS_AVERAGE:     65.36

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39     139_A - 177_A       1.96     7.00
  LCS_AVERAGE:     14.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    11     107_A - 117_A       0.99     5.23
  LONGEST_CONTINUOUS_SEGMENT:    11     108_A - 118_A       0.95     5.47
  LONGEST_CONTINUOUS_SEGMENT:    11     109_A - 119_A       0.89     6.70
  LONGEST_CONTINUOUS_SEGMENT:    11     149_A - 159_A       0.96     9.67
  LONGEST_CONTINUOUS_SEGMENT:    11     167_A - 177_A       0.85     8.04
  LCS_AVERAGE:      4.96

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  117
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     P    61_A     P    61_A      3   12  117      3    4    5   33   43   52   59   72   80   87   90   97  101  104  108  110  112  114  115  117 
LCS_GDT     Y    62_A     Y    62_A     10   23  117      6   25   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L    63_A     L    63_A     10   23  117      6   26   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K    64_A     K    64_A     10   23  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T    65_A     T    65_A     10   23  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E    66_A     E    66_A     10   23  117      5   21   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V    67_A     V    67_A     10   23  117      4   12   24   47   62   68   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     M    68_A     M    68_A     10   23  117      4   12   20   39   55   67   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T    69_A     T    69_A     10   23  117      4   12   19   30   48   60   73   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E    70_A     E    70_A     10   23  117      4   12   18   26   37   54   70   78   86   92   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y    71_A     Y    71_A     10   23  117      3   10   18   24   31   40   61   69   79   88   97  100  103  106  108  110  112  114  115  117 
LCS_GDT     N    72_A     N    72_A      9   23  117      3    8   18   22   29   34   40   56   71   79   88   97  102  104  107  110  112  114  115  117 
LCS_GDT     T    73_A     T    73_A      9   23  117      3    8   17   22   29   33   39   44   51   68   80   89   95  103  107  109  112  114  115  117 
LCS_GDT     D    74_A     D    74_A      8   23  117      3    6   12   19   26   29   37   41   50   61   71   87   95  101  107  109  111  114  115  117 
LCS_GDT     N    75_A     N    75_A      8   23  117      3    6   12   20   26   32   37   41   50   68   78   87   95  103  107  109  112  114  115  117 
LCS_GDT     T    76_A     T    76_A      8   23  117      3    6   10   19   26   32   38   56   71   79   91   97  102  104  107  110  112  114  115  117 
LCS_GDT     F    77_A     F    77_A      7   23  117      3   11   18   30   44   60   73   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     R    78_A     R    78_A      7   23  117      4   12   19   30   44   60   73   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V    79_A     V    79_A      7   23  117      7   12   24   39   57   68   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T    80_A     T    80_A      7   23  117      5   12   43   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V    81_A     V    81_A      7   23  117      4   26   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V    82_A     V    82_A      7   23  117      4   11   43   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T    83_A     T    83_A      7   23  117      4   12   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E    84_A     E    84_A      6   23  117      5   23   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     G    85_A     G    85_A      6   22  117      4   15   31   53   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     R    86_A     R    86_A      6   15  117      4   16   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y    87_A     Y    87_A      6   15  117      4   24   42   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     P    88_A     P    88_A      6   15  117      4    5   13   41   58   66   73   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V    89_A     V    89_A      6   15  117      3   11   34   50   62   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     D    90_A     D    90_A      6   15  117      0    3   12   21   37   56   69   77   82   89   96  100  104  106  108  110  112  114  115  117 
LCS_GDT     P    91_A     P    91_A      6   15  117      3    4    6   13   23   34   45   66   75   78   90   97  101  105  108  110  112  114  115  117 
LCS_GDT     N    92_A     N    92_A      6   15  117      3    8   21   36   59   66   73   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L    93_A     L    93_A      9   15  117      6   20   43   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E    94_A     E    94_A      9   15  117      6   20   43   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L    95_A     L    95_A      9   15  117      9   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     F    96_A     F    96_A      9   22  117      4   23   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     P    97_A     P    97_A      9   22  117      4   16   40   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     G    98_A     G    98_A      9   22  117      4   14   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     G    99_A     G    99_A      9   22  117      6   23   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     W   100_A     W   100_A     10   22  117      4   12   43   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y   101_A     Y   101_A     10   22  117      5   17   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T   102_A     T   102_A     10   22  117      4   19   39   55   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     W   103_A     W   103_A     10   22  117      7   14   30   46   58   68   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   104_A     N   104_A     10   22  117      7   12   20   30   46   60   73   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   105_A     N   105_A     10   22  117      7   12   18   23   33   43   59   68   78   88   97  100  104  106  108  110  112  114  115  117 
LCS_GDT     S   106_A     S   106_A     10   22  117      7   12   18   23   32   41   54   68   78   88   97  100  104  106  108  110  112  114  115  117 
LCS_GDT     S   107_A     S   107_A     11   22  117      7   12   20   31   47   60   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   108_A     L   108_A     11   22  117      7   12   24   37   50   63   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   109_A     N   109_A     11   22  117      6   12   28   41   58   68   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K   110_A     K   110_A     11   22  117      3   10   24   37   54   68   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     G   111_A     G   111_A     11   22  117      4   10   33   54   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     A   112_A     A   112_A     11   22  117      4   14   39   55   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     P   113_A     P   113_A     11   22  117      6   22   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y   114_A     Y   114_A     11   22  117      6   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T   115_A     T   115_A     11   22  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     R   116_A     R   116_A     11   22  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     A   117_A     A   117_A     11   22  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E   118_A     E   118_A     11   19  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y   119_A     Y   119_A     11   19  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K   120_A     K   120_A      7   19  117      4   20   43   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   121_A     L   121_A      6   18  117      3   10   22   38   59   67   75   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T   122_A     T   122_A      6   18  117      3    6   18   29   43   58   71   79   87   92   96  101  104  106  108  110  112  114  115  117 
LCS_GDT     P   123_A     P   123_A      6   18  117      4    8   14   23   31   49   63   78   87   92   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     D   124_A     D   124_A      4   18  117      4   11   22   36   54   66   75   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   125_A     L   125_A      8   18  117      4   20   43   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K   126_A     K   126_A      8   21  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   127_A     L   127_A      8   21  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   128_A     L   128_A      8   21  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     S   129_A     S   129_A      8   21  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Q   130_A     Q   130_A      8   21  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V   131_A     V   131_A      8   21  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V   132_A     V   132_A      8   21  117      6   19   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y   133_A     Y   133_A      8   21  117      4    9   16   42   59   68   74   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   134_A     N   134_A      8   21  117      4    8   14   20   31   51   68   77   85   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T   135_A     T   135_A      8   21  117      4    8   14   20   26   35   45   59   81   88   95  101  104  106  108  110  112  114  115  117 
LCS_GDT     D   136_A     D   136_A      8   21  117      4    8   13   18   26   33   43   50   59   76   87   95  101  104  107  109  111  112  114  117 
LCS_GDT     N   137_A     N   137_A      8   21  117      3    8   13   20   31   39   58   76   83   89   95  101  104  106  108  110  112  114  115  117 
LCS_GDT     T   138_A     T   138_A      4   21  117      3    4    6   18   26   35   45   76   83   89   95  101  104  106  108  110  112  114  115  117 
LCS_GDT     F   139_A     F   139_A      9   39  117      6   25   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K   140_A     K   140_A      9   39  117      6   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     F   141_A     F   141_A      9   39  117      6   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     D   142_A     D   142_A      9   39  117      6   24   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T   143_A     T   143_A      9   39  117      6   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     G   144_A     G   144_A      9   39  117      8   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   145_A     L   145_A      9   39  117      7   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E   146_A     E   146_A      9   39  117      9   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y   147_A     Y   147_A      9   39  117      8   25   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K   148_A     K   148_A      6   39  117      4   10   25   45   62   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   149_A     L   149_A     11   39  117      4    5   25   36   57   68   75   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     S   150_A     S   150_A     11   39  117      4   18   27   45   59   68   75   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     P   151_A     P   151_A     11   39  117      4   17   31   53   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   152_A     N   152_A     11   39  117      3   18   27   36   47   60   72   77   84   90   96  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   153_A     L   153_A     11   39  117      4   18   28   42   57   68   75   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K   154_A     K   154_A     11   39  117      5   18   28   42   62   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V   155_A     V   155_A     11   39  117      7   18   42   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     K   156_A     K   156_A     11   39  117      7   23   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     F   157_A     F   157_A     11   39  117     10   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E   158_A     E   158_A     11   39  117      7   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y   159_A     Y   159_A     11   39  117      9   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     G   160_A     G   160_A      9   39  117      8   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     W   161_A     W   161_A      7   39  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   162_A     N   162_A      7   39  117      8   26   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   163_A     N   163_A      7   39  117      5   11   37   49   62   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     S   164_A     S   164_A      7   39  117      5   15   34   50   62   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     S   165_A     S   165_A      5   39  117      5    5   17   31   51   63   72   77   85   93   96  101  104  106  108  110  112  114  115  117 
LCS_GDT     L   166_A     L   166_A      6   39  117      4    9   25   36   50   68   75   80   86   93   96  101  104  106  108  110  112  114  115  117 
LCS_GDT     N   167_A     N   167_A     11   39  117      4   25   40   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E   168_A     E   168_A     11   39  117     14   26   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     F   169_A     F   169_A     11   39  117     14   27   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     T   170_A     T   170_A     11   39  117      8   26   46   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     V   171_A     V   171_A     11   39  117      7   18   42   59   63   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     Q   172_A     Q   172_A     11   39  117      7   18   28   42   59   68   75   82   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     F   173_A     F   173_A     11   39  117      7   18   28   42   57   68   75   80   87   93   97  101  104  106  108  110  112  114  115  117 
LCS_GDT     E   174_A     E   174_A     11   39  117      7   18   27   38   54   66   73   79   86   93   96  101  104  106  108  110  112  114  115  117 
LCS_GDT     Y   175_A     Y   175_A     11   39  117      4   17   27   36   46   58   70   77   82   88   96  101  104  106  108  110  112  114  115  117 
LCS_GDT     D   176_A     D   176_A     11   39  117      4   18   27   36   44   53   66   73   80   87   91   99  103  106  108  110  112  114  115  117 
LCS_GDT     L   177_A     L   177_A     11   39  117      7   15   27   35   43   52   59   70   79   87   90   95  100  104  106  110  112  114  115  117 
LCS_AVERAGE  LCS_A:  28.43  (   4.96   14.98   65.36 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     14     27     46     59     63     68     75     82     87     93     97    101    104    106    108    110    112    114    115    117 
GDT PERCENT_AT   7.82  15.08  25.70  32.96  35.20  37.99  41.90  45.81  48.60  51.96  54.19  56.42  58.10  59.22  60.34  61.45  62.57  63.69  64.25  65.36
GDT RMS_LOCAL    0.29   0.63   1.00   1.25   1.38   1.56   1.88   2.24   2.44   2.65   3.01   3.09   3.29   3.40   3.52   3.65   3.84   4.07   4.18   4.33
GDT RMS_ALL_AT   5.14   4.80   4.74   4.79   4.71   4.74   4.94   4.44   4.42   4.48   4.36   4.48   4.43   4.39   4.39   4.42   4.36   4.34   4.34   4.33

# Checking swapping
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  D   124_A      D   124_A
#   possible swapping detected:  Y   133_A      Y   133_A
#   possible swapping detected:  F   157_A      F   157_A
#   possible swapping detected:  E   158_A      E   158_A
#   possible swapping detected:  Y   159_A      Y   159_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  E   174_A      E   174_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P    61_A      P    61_A     7.412     0    0.291   0.346     8.105   15.119   12.245
LGA    Y    62_A      Y    62_A     0.722     0    0.619   1.206     3.767   82.143   62.619
LGA    L    63_A      L    63_A     1.118     0    0.115   0.849     4.794   81.429   69.107
LGA    K    64_A      K    64_A     1.271     0    0.100   0.928     4.123   83.690   63.915
LGA    T    65_A      T    65_A     1.138     0    0.042   0.188     2.198   75.119   77.891
LGA    E    66_A      E    66_A     1.684     0    0.208   1.378     4.617   77.143   65.926
LGA    V    67_A      V    67_A     2.392     0    0.085   1.124     4.738   57.500   51.701
LGA    M    68_A      M    68_A     2.932     0    0.137   0.825     7.780   59.048   45.119
LGA    T    69_A      T    69_A     4.299     0    0.046   0.150     5.639   32.976   30.136
LGA    E    70_A      E    70_A     5.163     0    0.105   1.090     8.690   26.310   19.471
LGA    Y    71_A      Y    71_A     6.973     0    0.108   1.390    14.968   11.905    5.159
LGA    N    72_A      N    72_A     9.117     0    0.091   0.931    10.296    1.786    1.607
LGA    T    73_A      T    73_A    11.390     0    0.117   0.856    13.654    0.000    0.000
LGA    D    74_A      D    74_A    12.676     0    0.681   0.946    12.929    0.000    0.000
LGA    N    75_A      N    75_A    12.124     0    0.402   0.763    13.419    0.000    0.000
LGA    T    76_A      T    76_A     9.660     0    0.021   0.156    13.534    1.667    0.952
LGA    F    77_A      F    77_A     4.495     0    0.530   1.401     5.802   34.762   44.589
LGA    R    78_A      R    78_A     4.365     0    0.052   1.053     5.193   38.810   36.537
LGA    V    79_A      V    79_A     2.899     0    0.057   1.146     4.560   59.167   50.748
LGA    T    80_A      T    80_A     1.615     0    0.019   0.130     2.849   75.000   70.680
LGA    V    81_A      V    81_A     1.535     0    0.040   0.085     2.676   69.048   68.367
LGA    V    82_A      V    82_A     2.686     0    0.139   1.287     3.755   62.857   57.415
LGA    T    83_A      T    83_A     1.903     0    0.100   1.144     4.746   68.810   60.136
LGA    E    84_A      E    84_A     1.911     0    0.053   0.723     2.934   70.833   65.767
LGA    G    85_A      G    85_A     2.708     0    0.345   0.345     3.511   57.500   57.500
LGA    R    86_A      R    86_A     1.363     0    0.040   1.130     9.598   77.262   42.684
LGA    Y    87_A      Y    87_A     2.534     0    0.046   1.133     4.021   65.119   58.214
LGA    P    88_A      P    88_A     4.888     0    0.181   0.239     7.568   29.286   22.721
LGA    V    89_A      V    89_A     3.616     0    0.643   0.807     4.431   43.452   49.388
LGA    D    90_A      D    90_A     7.810     0    0.548   0.626    10.472    7.500    4.226
LGA    P    91_A      P    91_A     9.510     0    0.634   0.697    11.417    2.024    1.156
LGA    N    92_A      N    92_A     5.408     0    0.166   0.212     7.181   27.976   26.488
LGA    L    93_A      L    93_A     2.101     0    0.207   0.715     3.448   61.071   62.976
LGA    E    94_A      E    94_A     1.859     0    0.069   0.990     6.711   72.857   52.698
LGA    L    95_A      L    95_A     1.083     0    0.125   1.250     6.005   85.952   66.786
LGA    F    96_A      F    96_A     1.441     0    0.150   1.424     7.019   79.405   53.723
LGA    P    97_A      P    97_A     1.806     0    0.155   0.275     3.690   75.000   64.354
LGA    G    98_A      G    98_A     1.614     0    0.058   0.058     1.614   86.190   86.190
LGA    G    99_A      G    99_A     1.822     0    0.061   0.061     2.841   64.881   64.881
LGA    W   100_A      W   100_A     2.476     0    0.085   1.114     5.793   70.952   55.442
LGA    Y   101_A      Y   101_A     1.376     0    0.041   0.399     2.668   77.143   70.992
LGA    T   102_A      T   102_A     1.673     0    0.086   0.839     4.399   75.000   65.578
LGA    W   103_A      W   103_A     2.557     0    0.067   1.081     5.112   57.500   52.789
LGA    N   104_A      N   104_A     5.054     0    0.038   1.167     7.003   26.548   28.214
LGA    N   105_A      N   105_A     7.759     0    0.094   0.929    11.815    7.024    4.226
LGA    S   106_A      S   106_A     7.691     0    0.533   0.679     9.295    6.429    5.952
LGA    S   107_A      S   107_A     4.719     0    0.184   0.301     5.486   28.810   33.730
LGA    L   108_A      L   108_A     4.403     0    0.581   1.251     8.890   40.238   28.750
LGA    N   109_A      N   109_A     3.154     0    0.061   1.135     4.754   42.024   44.405
LGA    K   110_A      K   110_A     3.582     0    0.042   0.433     9.190   57.738   35.979
LGA    G   111_A      G   111_A     1.991     0    0.210   0.210     3.988   59.524   59.524
LGA    A   112_A      A   112_A     1.502     0    0.063   0.100     2.364   83.810   80.000
LGA    P   113_A      P   113_A     0.919     0    0.052   0.092     1.224   88.214   85.306
LGA    Y   114_A      Y   114_A     0.691     0    0.034   1.251     8.316   90.476   58.571
LGA    T   115_A      T   115_A     0.590     0    0.095   0.712     2.085   92.857   85.646
LGA    R   116_A      R   116_A     1.059     0    0.110   1.015     4.946   81.548   66.710
LGA    A   117_A      A   117_A     0.963     0    0.040   0.045     1.152   88.214   86.857
LGA    E   118_A      E   118_A     0.893     0    0.020   0.836     3.507   85.952   75.661
LGA    Y   119_A      Y   119_A     1.559     0    0.207   0.877     7.676   79.286   51.389
LGA    K   120_A      K   120_A     2.338     0    0.055   0.750     6.100   59.405   47.937
LGA    L   121_A      L   121_A     5.190     0    0.050   0.838     6.937   23.452   35.774
LGA    T   122_A      T   122_A     7.080     0    0.530   1.213    11.129   13.452    8.776
LGA    P   123_A      P   123_A     7.141     0    0.548   0.784     8.802   10.833    7.959
LGA    D   124_A      D   124_A     5.883     0    0.353   1.237     9.329   26.429   16.845
LGA    L   125_A      L   125_A     2.560     0    0.152   0.856     4.856   59.524   52.679
LGA    K   126_A      K   126_A     1.135     0    0.277   0.848     3.543   79.286   70.847
LGA    L   127_A      L   127_A     0.852     0    0.026   1.298     4.070   90.476   81.548
LGA    L   128_A      L   128_A     0.715     0    0.067   0.934     3.644   90.476   77.321
LGA    S   129_A      S   129_A     0.490     0    0.063   0.140     0.603   97.619   96.825
LGA    Q   130_A      Q   130_A     0.464     0    0.052   0.503     1.845  100.000   90.741
LGA    V   131_A      V   131_A     0.543     0    0.066   1.044     3.418   95.238   84.898
LGA    V   132_A      V   132_A     1.397     0    0.124   0.152     2.222   79.405   75.442
LGA    Y   133_A      Y   133_A     3.515     0    0.038   0.949    11.598   45.238   23.214
LGA    N   134_A      N   134_A     5.644     0    0.074   0.802     8.257   20.833   16.964
LGA    T   135_A      T   135_A     7.790     0    0.098   1.242    10.364    5.952    6.871
LGA    D   136_A      D   136_A     9.706     0    0.415   0.665    11.945    1.190    0.655
LGA    N   137_A      N   137_A     7.011     0    0.623   1.199     7.396   15.833   15.119
LGA    T   138_A      T   138_A     7.054     0    0.031   1.000    10.378   20.714   12.245
LGA    F   139_A      F   139_A     0.552     0    0.574   0.423     9.629   80.357   41.515
LGA    K   140_A      K   140_A     1.030     0    0.072   1.042     3.629   83.690   73.598
LGA    F   141_A      F   141_A     0.959     0    0.066   0.268     1.704   85.952   81.558
LGA    D   142_A      D   142_A     1.143     0    0.054   1.085     2.902   85.952   79.583
LGA    T   143_A      T   143_A     0.236     0    0.162   0.349     1.367   92.976   93.265
LGA    G   144_A      G   144_A     0.754     0    0.041   0.041     0.754   92.857   92.857
LGA    L   145_A      L   145_A     0.895     0    0.112   0.580     3.085   90.476   80.952
LGA    E   146_A      E   146_A     0.986     0    0.009   0.516     1.247   85.952   87.460
LGA    Y   147_A      Y   147_A     1.843     0    0.145   1.064     8.153   70.952   43.730
LGA    K   148_A      K   148_A     3.687     0    0.274   1.066     4.758   46.786   44.286
LGA    L   149_A      L   149_A     5.386     0    0.013   0.869     7.154   27.500   19.583
LGA    S   150_A      S   150_A     4.955     0    0.066   0.202     6.917   32.976   27.778
LGA    P   151_A      P   151_A     3.518     0    0.045   0.413     4.198   40.238   41.633
LGA    N   152_A      N   152_A     6.026     0    0.451   0.575     9.772   25.238   14.762
LGA    L   153_A      L   153_A     4.390     0    0.119   1.105     7.563   37.500   30.238
LGA    K   154_A      K   154_A     3.484     0    0.067   0.597     3.879   46.667   48.571
LGA    V   155_A      V   155_A     2.478     0    0.089   1.023     4.700   66.905   57.075
LGA    K   156_A      K   156_A     1.646     0    0.194   0.998     3.375   68.810   61.693
LGA    F   157_A      F   157_A     1.129     0    0.117   1.343     9.087   85.952   48.571
LGA    E   158_A      E   158_A     1.069     0    0.109   0.309     1.900   81.429   78.571
LGA    Y   159_A      Y   159_A     0.800     0    0.025   1.418     8.203   92.857   61.111
LGA    G   160_A      G   160_A     0.645     0    0.014   0.014     1.035   88.214   88.214
LGA    W   161_A      W   161_A     1.448     0    0.049   0.367     5.148   77.143   53.741
LGA    N   162_A      N   162_A     2.180     0    0.079   1.316     4.935   64.881   62.798
LGA    N   163_A      N   163_A     3.599     0    0.107   1.196     7.315   43.810   33.155
LGA    S   164_A      S   164_A     3.439     0    0.415   0.675     3.733   50.119   50.079
LGA    S   165_A      S   165_A     4.958     0    0.543   0.686     9.434   42.143   30.000
LGA    L   166_A      L   166_A     4.567     0    0.540   0.729     9.459   35.714   21.548
LGA    N   167_A      N   167_A     2.945     0    0.070   1.443     6.595   53.571   41.905
LGA    E   168_A      E   168_A     1.951     0    0.054   0.673     3.383   70.833   68.519
LGA    F   169_A      F   169_A     1.662     0    0.107   0.185     3.139   66.905   64.286
LGA    T   170_A      T   170_A     1.808     0    0.150   0.270     2.158   77.143   74.150
LGA    V   171_A      V   171_A     2.732     0    0.115   0.189     4.426   50.357   49.252
LGA    Q   172_A      Q   172_A     3.445     0    0.068   1.120     7.985   50.119   35.926
LGA    F   173_A      F   173_A     4.281     0    0.092   1.225     7.317   34.524   27.403
LGA    E   174_A      E   174_A     4.916     0    0.069   0.310     5.310   30.238   29.788
LGA    Y   175_A      Y   175_A     6.145     0    0.128   0.914    12.428   15.476    8.135
LGA    D   176_A      D   176_A     6.987     0    0.017   1.075     7.589   10.238   11.012
LGA    L   177_A      L   177_A     8.683     0    0.039   0.894    10.561    2.024    2.917

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      117     468    468  100.00     972    972  100.00               179
SUMMARY(RMSD_GDC):     4.333          4.321                  5.033           35.646   30.914

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  179    4.0     82    2.24    38.827    34.764     3.509

LGA_LOCAL      RMSD:   2.237  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.445  Number of assigned atoms:  117 
Std_ASGN_ATOMS RMSD:   4.333  Standard rmsd on all 117 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.171197 * X  +  -0.665090 * Y  +  -0.726875 * Z  +  48.761219
  Y_new =  -0.309065 * X  +   0.736780 * Y  +  -0.601360 * Z  + -11.841626
  Z_new =   0.935505 * X  +   0.121701 * Y  +  -0.331690 * Z  + -15.045642 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.076643 -1.209687  2.789933   [DEG: -118.9829  -69.3100  159.8514 ]
ZXZ: -0.879615  1.908891  1.441432   [DEG:  -50.3983  109.3714   82.5880 ]
 
# END of job
