
#######################################################
#                                                     #
#                        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  144 ( 1187),  selected  144 , name one
# Molecule2: number of CA atoms  160 ( 1315),  selected  144 , 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:   113      32_A - 144_A       4.75    11.93
  LCS_AVERAGE:     58.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86      52_A - 137_A       2.00    11.79
  LONGEST_CONTINUOUS_SEGMENT:    86      53_A - 138_A       1.99    11.80
  LCS_AVERAGE:     35.86

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      78_A - 133_A       0.99    11.68
  LONGEST_CONTINUOUS_SEGMENT:    56      79_A - 134_A       0.98    11.69
  LCS_AVERAGE:     16.92

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  144
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     M     1_A     M     1_A      3    3   15      0    3    3    3    4    5    5    8    9   13   15   16   19   21   22   23   24   25   27   28 
LCS_GDT     K     2_A     K     2_A      3   10   15      0    3    3    4    9   10   11   11   12   13   15   16   19   21   22   23   24   25   27   28 
LCS_GDT     N     3_A     N     3_A      8   10   15      4    7    8    8    9   10   11   11   12   13   15   16   19   21   23   27   31   34   39   41 
LCS_GDT     F     4_A     F     4_A      8   10   15      4    7    8    8    9   10   11   11   12   13   15   16   19   23   25   28   32   34   39   42 
LCS_GDT     E     5_A     E     5_A      8   10   15      4    7    8    8    9   10   11   11   12   13   16   18   20   25   30   35   38   43   47   67 
LCS_GDT     I     6_A     I     6_A      8   10   18      4    7    8    8    9   10   11   11   15   18   20   30   37   39   45   53   73   81   86  101 
LCS_GDT     V     7_A     V     7_A      8   10   18      4    7    8    8    9   11   14   17   25   34   44   51   73   78   89   96   99  101  105  106 
LCS_GDT     T     8_A     T     8_A      8   10   18      4    7    8    9   12   15   24   29   47   77   83   87   94   97   99  101  103  105  107  109 
LCS_GDT     V     9_A     V     9_A      8   10   18      4    7   10   13   19   28   37   55   68   79   84   87   90   97   98   98  101  105  106  108 
LCS_GDT     T    10_A     T    10_A      8   12   18      4    6    8    8   12   23   30   41   51   66   72   82   83   89   92   96   99  101  102  103 
LCS_GDT     P    11_A     P    11_A     11   12   18      4    9   10   11   12   12   20   24   27   32   41   45   47   52   69   76   86   90   94   97 
LCS_GDT     D    12_A     D    12_A     11   12   18      3    3   10   11   12   12   13   16   17   22   27   27   29   35   50   51   53   55   68   76 
LCS_GDT     H    13_A     H    13_A     11   12   18      4    4   10   11   12   12   13   16   18   22   27   27   30   39   50   53   60   77   82   91 
LCS_GDT     A    14_A     A    14_A     11   12   18      4    9   10   11   12   12   13   16   18   22   27   27   30   39   50   53   60   77   87   91 
LCS_GDT     E    15_A     E    15_A     11   12   18      7    9   10   11   12   12   13   16   17   20   22   27   30   35   40   42   50   57   69   76 
LCS_GDT     Q    16_A     Q    16_A     11   12   18      7    9   10   11   12   12   13   16   17   20   22   27   30   40   47   53   59   77   87   91 
LCS_GDT     L    17_A     L    17_A     11   12   18      7    9   10   11   12   12   13   16   17   20   27   30   34   40   69   76   79   80   92   94 
LCS_GDT     I    18_A     I    18_A     11   12   18      7    9   10   11   12   12   13   16   17   20   22   24   30   32   37   42   50   57   62   76 
LCS_GDT     S    19_A     S    19_A     11   12   18      7    9   10   11   12   12   13   16   17   20   22   24   30   35   40   42   50   57   75   78 
LCS_GDT     M    20_A     M    20_A     11   12   18      7    9   10   11   12   12   13   16   17   19   22   27   30   40   47   53   59   78   87   91 
LCS_GDT     I    21_A     I    21_A     11   12   18      7    9   10   11   12   12   13   16   17   19   22   23   25   27   34   38   43   50   54   69 
LCS_GDT     H    22_A     H    22_A      3    4   18      3    3    3    3    4    6   10   16   18   20   25   27   30   40   44   48   74   78   87   91 
LCS_GDT     E    23_A     E    23_A      3    4   18      0    3    4    4    8    8   15   20   23   24   27   32   43   48   54   59   74   78   82   90 
LCS_GDT     L    24_A     L    24_A      3    3   17      0    3    4    6    9   13   15   15   23   24   27   30   34   37   54   59   67   77   82   88 
LCS_GDT     A    25_A     A    25_A      3    3   14      1    3    4    5    7    8   15   15   19   20   22   24   30   31   44   45   53   62   69   76 
LCS_GDT     E    26_A     E    26_A      3    3   16      0    3    4    4    4    6    6    8   10   13   14   17   19   30   30   35   41   46   52   54 
LCS_GDT     F    27_A     F    27_A      3    6   16      3    3    4    4    5    6    8   11   14   15   16   17   19   28   30   33   36   46   52   54 
LCS_GDT     E    28_A     E    28_A      3    6   16      3    3    4    4    5    6    9   11   14   14   16   22   23   28   30   33   41   46   52   54 
LCS_GDT     K    29_A     K    29_A      4    6   16      3    3    4    5    6    8   11   12   14   15   16   22   26   30   30   35   41   54   60   64 
LCS_GDT     M    30_A     M    30_A      4    6   16      3    3    4    5    6    8   11   14   18   22   28   32   36   41   57   66   69   77   81   85 
LCS_GDT     K    31_A     K    31_A      4    6  108      3    3    4    5    6    7   13   16   20   28   37   45   47   52   57   66   70   80   82   92 
LCS_GDT     S    32_A     S    32_A      4    6  113      3    3    4    5    6    8   20   24   41   49   55   62   69   83   87   87   92   98   99  101 
LCS_GDT     S    33_A     S    33_A      3    6  113      3    3    4    5    5   22   30   38   43   61   69   76   82   85   91   96   99  101  102  103 
LCS_GDT     V    34_A     V    34_A      3    6  113      3    3    4   18   27   42   54   64   79   86   91   95   97   97   99  100  103  105  106  108 
LCS_GDT     V    35_A     V    35_A      3    6  113      3    3    4   39   57   75   79   83   87   92   95   96   98  101  102  103  104  106  107  109 
LCS_GDT     N    36_A     N    36_A      3    6  113      3    3    4    5    7   10   12   13   67   88   90   96   98  101  102  104  105  106  107  109 
LCS_GDT     T    37_A     T    37_A      3   10  113      3    3    4    5    9   25   29   39   68   91   95   98  100  102  103  104  105  106  107  109 
LCS_GDT     A    38_A     A    38_A      9   11  113      4    5    9    9   10   11   29   37   43   60   81   90  100  102  103  104  105  106  107  109 
LCS_GDT     E    39_A     E    39_A      9   11  113      5    8    9    9   10   11   21   29   42   45   58   82   90   97  102  104  105  106  106  108 
LCS_GDT     K    40_A     K    40_A      9   11  113      7    8    9   10   15   25   32   54   64   70   78   89  100  102  103  104  105  106  107  109 
LCS_GDT     L    41_A     L    41_A      9   11  113      7    8   14   36   49   58   74   85   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     R    42_A     R    42_A      9   11  113      7    8    9    9   10   11   27   37   43   56   78   90  100  102  103  104  105  106  107  109 
LCS_GDT     K    43_A     K    43_A      9   11  113      7    8    9    9   10   15   25   32   38   50   68   84   90  101  103  104  105  106  107  109 
LCS_GDT     D    44_A     D    44_A      9   11  113      7    8    9    9   14   38   57   65   79   94   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     I    45_A     I    45_A      9   11  113      7    8    9   21   45   57   74   85   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     E    46_A     E    46_A      9   11  113      7    8    9    9   10   17   27   43   69   81   95   98  100  102  103  104  105  106  107  109 
LCS_GDT     N    47_A     N    47_A      4   12  113      3    4   34   52   69   77   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     K    48_A     K    48_A      4   12  113      3    9   34   52   67   77   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A    49_A     A    49_A      4   12  113      3    4    7   10   33   75   81   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     V    50_A     V    50_A      4   20  113      3    6   28   56   70   77   82   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     H    51_A     H    51_A      4   21  113      3    4   21   44   68   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     G    52_A     G    52_A      5   86  113      4   17   40   64   73   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     F    53_A     F    53_A      5   86  113      4    5    5   32   68   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     I    54_A     I    54_A      5   86  113      4   11   37   62   73   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A    55_A     A    55_A      5   86  113      4    5    5   10   34   64   81   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     F    56_A     F    56_A      5   86  113      3    5    5   10   27   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     I    57_A     I    57_A      4   86  113      3    3    5   11   40   60   81   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     G    58_A     G    58_A     14   86  113      3    7   17   31   59   71   81   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     E    59_A     E    59_A     14   86  113     12   24   48   68   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     E    60_A     E    60_A     14   86  113      7   21   44   65   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     P    61_A     P    61_A     14   86  113     12   29   52   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A    62_A     A    62_A     14   86  113     12   35   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     G    63_A     G    63_A     14   86  113     12   44   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     M    64_A     M    64_A     14   86  113     16   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     N    65_A     N    65_A     14   86  113     16   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L    66_A     L    66_A     14   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     F    67_A     F    67_A     14   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Y    68_A     Y    68_A     14   86  113     13   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Y    69_A     Y    69_A     14   86  113     11   32   59   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A    70_A     A    70_A     14   86  113      7   32   59   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Y    71_A     Y    71_A     14   86  113      7   36   58   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     S    72_A     S    72_A      6   86  113      4   11   19   56   71   77   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     T    73_A     T    73_A      6   86  113      4    5    9   13   33   48   63   87   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     W    74_A     W    74_A      6   86  113      4    9   19   42   64   75   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     V    75_A     V    75_A      6   86  113      4   18   37   50   70   76   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     G    76_A     G    76_A      5   86  113      7    8   11   19   41   60   81   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Q    77_A     Q    77_A     42   86  113      7   14   26   48   69   76   84   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Y    78_A     Y    78_A     56   86  113      7   28   54   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L    79_A     L    79_A     56   86  113     10   43   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     H    80_A     H    80_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     M    81_A     M    81_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     E    82_A     E    82_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     D    83_A     D    83_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L    84_A     L    84_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Y    85_A     Y    85_A     56   86  113     13   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     I    86_A     I    86_A     56   86  113     16   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     R    87_A     R    87_A     56   86  113     16   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     P    88_A     P    88_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Q    89_A     Q    89_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     F    90_A     F    90_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     R    91_A     R    91_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     R    92_A     R    92_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     M    93_A     M    93_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     G    94_A     G    94_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L    95_A     L    95_A     56   86  113     15   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A    96_A     A    96_A     56   86  113      7   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     R    97_A     R    97_A     56   86  113      5   37   59   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     T    98_A     T    98_A     56   86  113     13   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L    99_A     L    99_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     W   100_A     W   100_A     56   86  113     11   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     K   101_A     K   101_A     56   86  113     11   44   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     K   102_A     K   102_A     56   86  113     13   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L   103_A     L   103_A     56   86  113     13   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A   104_A     A   104_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     E   105_A     E   105_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L   106_A     L   106_A     56   86  113     16   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A   107_A     A   107_A     56   86  113     10   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     R   108_A     R   108_A     56   86  113     10   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     D   109_A     D   109_A     56   86  113     10   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     K   110_A     K   110_A     56   86  113      5   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     G   111_A     G   111_A     56   86  113      4   31   56   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     I   112_A     I   112_A     56   86  113      7   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     V   113_A     V   113_A     56   86  113     10   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     R   114_A     R   114_A     56   86  113      8   32   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L   115_A     L   115_A     56   86  113      9   44   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     E   116_A     E   116_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     W   117_A     W   117_A     56   86  113     19   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A   118_A     A   118_A     56   86  113      8   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     V   119_A     V   119_A     56   86  113     10   43   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L   120_A     L   120_A     56   86  113     13   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     D   121_A     D   121_A     56   86  113     16   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     W   122_A     W   122_A     56   86  113     10   45   61   70   74   78   85   89   93   95   96   98   99  102  103  104  105  106  107  109 
LCS_GDT     N   123_A     N   123_A     56   86  113     14   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     K   124_A     K   124_A     56   86  113     12   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     N   125_A     N   125_A     56   86  113     14   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A   126_A     A   126_A     56   86  113     16   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     I   127_A     I   127_A     56   86  113      8   42   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     A   128_A     A   128_A     56   86  113      4   14   59   68   74   78   85   88   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L   129_A     L   129_A     56   86  113     10   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Y   130_A     Y   130_A     56   86  113     10   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     D   131_A     D   131_A     56   86  113      3   40   59   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     T   132_A     T   132_A     56   86  113      3   37   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     V   133_A     V   133_A     56   86  113      4   17   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     D   134_A     D   134_A     56   86  113      4   27   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     Y   135_A     Y   135_A     24   86  113      5   23   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     V   136_A     V   136_A      6   86  113      7   31   58   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     N   137_A     N   137_A      6   86  113     12   45   61   70   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     L   138_A     L   138_A      6   86  113      7   24   51   69   74   78   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     T   139_A     T   139_A      4   83  113      4    4    4    6   17   25   53   72   83   87   92   94   98  101  102  104  105  106  107  109 
LCS_GDT     K   140_A     K   140_A      4   66  113      4    4    4    6    8   12   20   28   45   80   81   87   90   96   99  103  103  105  106  108 
LCS_GDT     S   141_A     S   141_A      4   65  113      4    5    5    6   21   26   37   72   79   86   90   95   98  101  102  103  104  106  107  109 
LCS_GDT     E   142_A     E   142_A      4   64  113      3    5   19   26   38   55   72   82   92   94   95   96   98  101  102  103  104  106  107  109 
LCS_GDT     G   143_A     G   143_A      4    6  113      3   18   40   56   70   76   85   89   93   95   96   98  100  102  103  104  105  106  107  109 
LCS_GDT     W   144_A     W   144_A      4    5  113      0    5    5    6   10   17   26   49   59   74   89   97   99  102  103  104  105  106  107  109 
LCS_AVERAGE  LCS_A:  36.96  (  16.92   35.86   58.10 )

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     19     45     61     70     74     78     85     89     93     95     96     98    100    102    103    104    105    106    107    109 
GDT PERCENT_AT  11.87  28.12  38.12  43.75  46.25  48.75  53.12  55.62  58.12  59.37  60.00  61.25  62.50  63.75  64.37  65.00  65.62  66.25  66.87  68.12
GDT RMS_LOCAL    0.35   0.70   0.93   1.11   1.23   1.41   1.78   2.00   2.17   2.35   2.45   2.67   3.06   3.16   3.28   3.28   3.40   3.40   3.52   3.76
GDT RMS_ALL_AT  11.58  11.66  11.69  11.70  11.76  11.79  11.80  11.83  11.81  11.89  11.92  12.01  12.19  12.18  12.22  12.18  12.22  12.05  12.09  12.07

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    27_A      F    27_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  Y    85_A      Y    85_A
#   possible swapping detected:  F    90_A      F    90_A
#   possible swapping detected:  E   105_A      E   105_A
#   possible swapping detected:  E   142_A      E   142_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A    40.180     0    0.545   0.834    42.736    0.000    0.000
LGA    K     2_A      K     2_A    38.934     0    0.677   1.350    41.282    0.000    0.000
LGA    N     3_A      N     3_A    36.275     0    0.584   0.519    41.339    0.000    0.000
LGA    F     4_A      F     4_A    29.504     0    0.065   1.180    31.879    0.000    0.000
LGA    E     5_A      E     5_A    24.553     0    0.055   0.932    26.541    0.000    0.000
LGA    I     6_A      I     6_A    17.774     0    0.085   0.143    20.351    0.000    0.000
LGA    V     7_A      V     7_A    13.798     0    0.106   1.004    16.202    0.000    0.000
LGA    T     8_A      T     8_A     9.419     0    0.146   1.110    11.374    0.357    2.313
LGA    V     9_A      V     9_A    10.924     0    0.043   0.151    12.325    0.119    0.068
LGA    T    10_A      T    10_A    14.331     0    0.120   0.173    17.195    0.000    0.000
LGA    P    11_A      P    11_A    18.306     0    0.660   0.780    21.659    0.000    0.000
LGA    D    12_A      D    12_A    22.226     0    0.626   1.518    24.303    0.000    0.000
LGA    H    13_A      H    13_A    21.754     0    0.251   1.172    21.879    0.000    0.000
LGA    A    14_A      A    14_A    22.037     0    0.020   0.027    23.191    0.000    0.000
LGA    E    15_A      E    15_A    25.726     0    0.160   0.861    32.888    0.000    0.000
LGA    Q    16_A      Q    16_A    21.714     0    0.015   0.745    23.598    0.000    0.000
LGA    L    17_A      L    17_A    18.496     0    0.015   0.203    20.323    0.000    0.000
LGA    I    18_A      I    18_A    24.426     0    0.045   1.155    28.819    0.000    0.000
LGA    S    19_A      S    19_A    25.036     0    0.191   0.589    25.202    0.000    0.000
LGA    M    20_A      M    20_A    19.561     0    0.142   1.282    21.085    0.000    0.000
LGA    I    21_A      I    21_A    22.163     0    0.432   0.467    25.916    0.000    0.000
LGA    H    22_A      H    22_A    21.516     0    0.582   0.630    23.891    0.000    0.000
LGA    E    23_A      E    23_A    20.796     0    0.642   1.143    21.029    0.000    0.000
LGA    L    24_A      L    24_A    19.939     0    0.599   1.114    24.014    0.000    0.000
LGA    A    25_A      A    25_A    23.241     0    0.625   0.603    23.500    0.000    0.000
LGA    E    26_A      E    26_A    24.676     0    0.578   1.190    27.884    0.000    0.000
LGA    F    27_A      F    27_A    24.384     0    0.609   1.533    25.333    0.000    0.000
LGA    E    28_A      E    28_A    25.135     0    0.147   0.300    25.592    0.000    0.000
LGA    K    29_A      K    29_A    26.795     0    0.431   0.732    35.293    0.000    0.000
LGA    M    30_A      M    30_A    22.453     0    0.455   0.801    23.411    0.000    0.000
LGA    K    31_A      K    31_A    21.793     0    0.183   0.575    30.542    0.000    0.000
LGA    S    32_A      S    32_A    18.794     0    0.622   0.820    20.059    0.000    0.000
LGA    S    33_A      S    33_A    16.475     0    0.624   0.884    19.202    0.000    0.000
LGA    V    34_A      V    34_A     9.637     0    0.076   0.942    12.347    2.024    1.633
LGA    V    35_A      V    35_A     6.436     0    0.607   0.973     9.784   27.143   17.007
LGA    N    36_A      N    36_A     6.924     0    0.045   0.105    13.822   17.262    8.690
LGA    T    37_A      T    37_A     8.426     0    0.635   1.410    10.893    3.810    2.585
LGA    A    38_A      A    38_A    10.647     0    0.538   0.553    11.315    0.357    0.286
LGA    E    39_A      E    39_A    13.665     0    0.034   0.564    17.816    0.000    0.000
LGA    K    40_A      K    40_A    11.501     0    0.053   0.929    12.086    0.238    0.106
LGA    L    41_A      L    41_A     7.088     0    0.028   0.592     8.256    7.976    9.107
LGA    R    42_A      R    42_A    10.947     0    0.046   1.506    22.996    0.119    0.043
LGA    K    43_A      K    43_A    12.054     0    0.060   0.760    19.364    0.000    0.000
LGA    D    44_A      D    44_A     7.590     0    0.059   0.175    10.078   11.071    7.500
LGA    I    45_A      I    45_A     6.772     0    0.171   0.958    10.681   10.238    7.560
LGA    E    46_A      E    46_A     9.470     0    0.576   1.139    16.890    4.048    1.799
LGA    N    47_A      N    47_A     3.895     0    0.113   0.356     5.694   44.881   49.345
LGA    K    48_A      K    48_A     3.818     0    0.222   1.117    15.538   48.690   24.339
LGA    A    49_A      A    49_A     4.010     0    0.623   0.560     5.214   40.476   37.619
LGA    V    50_A      V    50_A     3.906     0    0.070   1.048     7.473   42.024   30.340
LGA    H    51_A      H    51_A     3.587     0    0.169   0.651     9.399   43.690   23.190
LGA    G    52_A      G    52_A     3.125     0    0.226   0.226     4.395   50.357   50.357
LGA    F    53_A      F    53_A     3.286     0    0.053   1.293    13.180   48.571   20.216
LGA    I    54_A      I    54_A     3.078     0    0.075   0.132     8.617   48.571   33.393
LGA    A    55_A      A    55_A     4.467     0    0.101   0.124     6.860   40.238   34.857
LGA    F    56_A      F    56_A     3.576     0    0.066   0.169    10.551   40.357   19.654
LGA    I    57_A      I    57_A     4.717     0    0.606   1.341     7.583   34.524   24.643
LGA    G    58_A      G    58_A     4.476     0    0.602   0.602     6.281   32.143   32.143
LGA    E    59_A      E    59_A     2.067     0    0.033   0.878     4.372   66.786   57.143
LGA    E    60_A      E    60_A     2.416     0    0.062   0.810     5.302   66.786   55.661
LGA    P    61_A      P    61_A     1.664     0    0.085   0.102     2.033   75.000   72.925
LGA    A    62_A      A    62_A     0.886     0    0.238   0.263     1.153   90.595   88.762
LGA    G    63_A      G    63_A     0.677     0    0.096   0.096     1.117   88.214   88.214
LGA    M    64_A      M    64_A     0.530     0    0.034   0.814     4.312   95.238   82.857
LGA    N    65_A      N    65_A     0.276     0    0.123   1.019     3.880   97.619   81.071
LGA    L    66_A      L    66_A     0.551     0    0.066   0.329     1.276   90.476   89.345
LGA    F    67_A      F    67_A     1.005     0    0.043   0.082     1.068   85.952   83.074
LGA    Y    68_A      Y    68_A     1.402     0    0.111   1.413    10.067   79.286   46.508
LGA    Y    69_A      Y    69_A     2.277     0    0.014   0.421     2.874   60.952   60.317
LGA    A    70_A      A    70_A     2.360     0    0.103   0.141     2.403   68.810   68.000
LGA    Y    71_A      Y    71_A     1.499     0    0.015   1.080     4.835   81.429   63.730
LGA    S    72_A      S    72_A     2.817     0    0.119   0.506     3.589   52.143   55.079
LGA    T    73_A      T    73_A     5.606     0    0.020   0.041     7.308   24.048   19.524
LGA    W    74_A      W    74_A     4.113     0    0.190   1.150     5.532   38.690   39.796
LGA    V    75_A      V    75_A     3.713     0    0.177   1.314     6.547   50.238   38.095
LGA    G    76_A      G    76_A     5.208     0    0.331   0.331     5.208   39.167   39.167
LGA    Q    77_A      Q    77_A     3.651     0    0.041   0.640     7.761   43.452   28.571
LGA    Y    78_A      Y    78_A     1.673     0    0.092   0.405     3.283   77.143   72.460
LGA    L    79_A      L    79_A     1.019     0    0.062   1.092     3.648   83.690   76.726
LGA    H    80_A      H    80_A     0.518     0    0.085   0.918     2.554   95.238   82.905
LGA    M    81_A      M    81_A     0.294     0    0.056   0.222     0.639   97.619   98.810
LGA    E    82_A      E    82_A     0.580     0    0.118   1.069     5.734   95.238   69.259
LGA    D    83_A      D    83_A     0.544     0    0.074   0.486     1.582   90.595   87.202
LGA    L    84_A      L    84_A     0.640     0    0.051   0.135     1.019   92.857   90.536
LGA    Y    85_A      Y    85_A     0.859     0    0.028   0.127     1.681   90.476   81.587
LGA    I    86_A      I    86_A     0.532     0    0.059   0.683     1.890   92.857   89.464
LGA    R    87_A      R    87_A     0.272     0    0.047   0.889     3.766   97.619   85.108
LGA    P    88_A      P    88_A     0.778     0    0.069   0.144     1.004   90.476   89.184
LGA    Q    89_A      Q    89_A     1.324     0    0.135   1.509     5.630   79.286   61.799
LGA    F    90_A      F    90_A     1.263     0    0.046   1.173     7.652   81.429   51.385
LGA    R    91_A      R    91_A     0.969     0    0.109   1.098     2.663   88.214   84.286
LGA    R    92_A      R    92_A     1.192     0    0.128   0.344     2.043   77.262   76.840
LGA    M    93_A      M    93_A     1.492     0    0.019   0.820     5.225   77.143   65.774
LGA    G    94_A      G    94_A     1.408     0    0.080   0.080     1.502   79.286   79.286
LGA    L    95_A      L    95_A     1.134     0    0.043   1.369     3.395   81.429   76.429
LGA    A    96_A      A    96_A     1.397     0    0.196   0.207     1.833   79.286   79.714
LGA    R    97_A      R    97_A     1.583     0    0.054   1.247     7.691   77.143   57.186
LGA    T    98_A      T    98_A     1.069     0    0.017   0.053     1.305   81.429   85.306
LGA    L    99_A      L    99_A     1.193     0    0.047   0.079     1.315   81.429   81.429
LGA    W   100_A      W   100_A     1.402     0    0.029   0.724     4.847   79.286   62.347
LGA    K   101_A      K   101_A     1.553     0    0.040   1.146     4.747   72.857   64.286
LGA    K   102_A      K   102_A     1.437     0    0.083   1.340     6.446   79.286   64.762
LGA    L   103_A      L   103_A     0.867     0    0.082   1.397     3.605   88.214   75.179
LGA    A   104_A      A   104_A     0.659     0    0.066   0.089     0.795   90.476   90.476
LGA    E   105_A      E   105_A     1.202     0    0.047   1.219     6.489   85.952   58.571
LGA    L   106_A      L   106_A     0.352     0    0.032   0.165     1.954   95.238   87.321
LGA    A   107_A      A   107_A     0.559     0    0.067   0.077     1.158   90.595   90.571
LGA    R   108_A      R   108_A     1.043     0    0.036   0.923     5.733   83.690   65.498
LGA    D   109_A      D   109_A     1.150     0    0.085   0.164     2.339   85.952   78.452
LGA    K   110_A      K   110_A     0.809     0    0.043   0.832     2.310   83.810   78.942
LGA    G   111_A      G   111_A     1.778     0    0.104   0.104     1.778   79.286   79.286
LGA    I   112_A      I   112_A     0.890     0    0.082   0.622     2.091   88.214   86.131
LGA    V   113_A      V   113_A     0.764     0    0.141   1.313     2.868   83.810   78.231
LGA    R   114_A      R   114_A     1.100     0    0.072   1.421     9.283   88.214   51.602
LGA    L   115_A      L   115_A     0.642     0    0.205   1.390     3.804   90.595   80.238
LGA    E   116_A      E   116_A     0.308     0    0.044   0.625     1.569  100.000   88.783
LGA    W   117_A      W   117_A     0.652     0    0.027   1.379     6.126   83.810   63.095
LGA    A   118_A      A   118_A     1.594     0    0.087   0.110     1.612   79.286   78.000
LGA    V   119_A      V   119_A     1.410     0    0.071   0.083     2.109   81.429   76.599
LGA    L   120_A      L   120_A     1.172     0    0.138   0.284     1.269   85.952   83.690
LGA    D   121_A      D   121_A     0.858     0    0.033   1.079     5.101   88.214   70.357
LGA    W   122_A      W   122_A     1.711     0    0.049   1.138     9.702   75.000   42.041
LGA    N   123_A      N   123_A     1.412     0    0.053   0.070     1.495   81.429   81.429
LGA    K   124_A      K   124_A     1.565     0    0.094   0.834     5.059   75.000   65.132
LGA    N   125_A      N   125_A     1.390     0    0.017   0.954     4.052   79.286   70.655
LGA    A   126_A      A   126_A     1.045     0    0.030   0.031     1.355   81.429   83.238
LGA    I   127_A      I   127_A     2.035     0    0.110   0.198     2.553   64.881   67.857
LGA    A   128_A      A   128_A     2.789     0    0.085   0.083     3.231   62.857   60.286
LGA    L   129_A      L   129_A     1.703     0    0.074   0.161     2.068   70.833   73.988
LGA    Y   130_A      Y   130_A     1.493     0    0.118   0.130     1.665   77.143   79.286
LGA    D   131_A      D   131_A     2.448     0    0.193   0.200     3.182   62.857   59.107
LGA    T   132_A      T   132_A     1.984     0    0.237   1.230     4.243   72.976   67.891
LGA    V   133_A      V   133_A     1.448     0    0.604   0.648     3.398   71.429   70.884
LGA    D   134_A      D   134_A     1.279     0    0.495   0.537     3.303   79.286   73.274
LGA    Y   135_A      Y   135_A     1.496     0    0.063   1.393    10.753   75.000   43.333
LGA    V   136_A      V   136_A     1.427     0    0.071   1.050     4.340   88.333   76.667
LGA    N   137_A      N   137_A     1.717     0    0.142   1.011     3.194   69.524   68.333
LGA    L   138_A      L   138_A     2.767     0    0.652   0.610     3.508   57.500   60.238
LGA    T   139_A      T   139_A     6.995     0    0.209   1.066    11.450   16.310    9.388
LGA    K   140_A      K   140_A     9.671     0    0.141   0.908    18.482    2.143    0.952
LGA    S   141_A      S   141_A     7.496     0    0.539   0.767     7.496   12.619   12.857
LGA    E   142_A      E   142_A     6.801     0    0.645   1.155    14.448   17.500    8.095
LGA    G   143_A      G   143_A     3.444     0    0.477   0.477     6.611   32.024   32.024
LGA    W   144_A      W   144_A     9.668     0    0.129   0.998    20.469    2.738    0.782

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      144     576    576  100.00    1187   1187  100.00               160
SUMMARY(RMSD_GDC):    11.120         11.020                 11.835           43.710   38.622

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  144  160    4.0     89    2.00    48.125    46.902     4.229

LGA_LOCAL      RMSD:   2.004  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.833  Number of assigned atoms:  144 
Std_ASGN_ATOMS RMSD:  11.120  Standard rmsd on all 144 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.737661 * X  +  -0.582652 * Y  +  -0.341133 * Z  +  39.537857
  Y_new =  -0.249771 * X  +   0.704905 * Y  +  -0.663870 * Z  +  -0.937205
  Z_new =   0.627272 * X  +  -0.404507 * Y  +  -0.665510 * Z  +  13.458098 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.815111 -0.678046 -2.595448   [DEG: -161.2940  -38.8491 -148.7082 ]
ZXZ: -0.474670  2.298974  2.143554   [DEG:  -27.1966  131.7215  122.8166 ]
 
# END of job
