
#######################################################
#                                                     #
#                        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  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , 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:    82     112_A - 193_A       4.99    18.52
  LCS_AVERAGE:     28.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34     143_A - 176_A       1.96    18.65
  LONGEST_CONTINUOUS_SEGMENT:    34     144_A - 177_A       1.80    18.67
  LONGEST_CONTINUOUS_SEGMENT:    34     145_A - 178_A       1.94    18.55
  LCS_AVERAGE:      8.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28     147_A - 174_A       0.93    18.62
  LONGEST_CONTINUOUS_SEGMENT:    28     149_A - 176_A       0.94    18.60
  LCS_AVERAGE:      5.69

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
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     G     1_A     G     1_A      4    5   18      0    3    4    5    6    6    7    8    9   10   15   18   21   27   27   27   29   33   39   41 
LCS_GDT     I     2_A     I     2_A      4    5   18      3    4    5    5    6    7   10   13   15   15   17   21   23   27   27   27   30   33   39   41 
LCS_GDT     D     3_A     D     3_A      4    5   18      3    4    5    5    6    9   10   13   15   15   17   21   23   27   27   27   30   33   39   41 
LCS_GDT     P     4_A     P     4_A      4    5   18      3    4    5    5    6    7   10   13   15   15   17   21   23   27   27   30   34   37   39   41 
LCS_GDT     F     5_A     F     5_A      4    9   18      3    4    5    5    6    9   10   13   15   15   17   21   23   27   27   27   34   37   39   41 
LCS_GDT     T     6_A     T     6_A      3    9   18      3    3    6    6    8    9   10   13   15   15   17   21   23   27   27   27   30   33   39   41 
LCS_GDT     W     7_A     W     7_A      5    9   18      4    5    6    6    8    9   10   11   15   15   17   21   23   27   27   27   29   33   39   41 
LCS_GDT     G     8_A     G     8_A      5    9   18      4    5    6    6    8    9   10   13   15   15   17   21   23   27   27   30   33   41   43   60 
LCS_GDT     F     9_A     F     9_A      5    9   18      4    5    6    6    8    9   10   13   15   15   17   21   23   27   27   27   32   41   43   48 
LCS_GDT     G    10_A     G    10_A      5    9   18      4    5    6    6    8    9   10   11   13   14   15   21   23   27   30   37   41   46   51   60 
LCS_GDT     G    11_A     G    11_A      5    9   18      3    5    6    6    8    9   10   11   13   14   18   21   23   27   30   37   41   46   51   60 
LCS_GDT     S    12_A     S    12_A      3    9   18      3    4    4    5    8    9   10   11   13   14   15   16   21   21   27   37   41   46   51   60 
LCS_GDT     S    13_A     S    13_A      3    9   18      3    3    3    6    8    9   10   11   13   17   18   22   24   27   30   37   41   46   51   60 
LCS_GDT     K    14_A     K    14_A      3    4   18      3    3    3    5    6    8   10   11   13   17   18   22   24   28   31   35   39   46   51   60 
LCS_GDT     E    15_A     E    15_A      3    4   20      3    3    3    5    6    6   10   11   13   17   18   22   24   28   31   36   40   44   45   51 
LCS_GDT     K    16_A     K    16_A      3    4   22      3    3    3    3    6    7    8   11   13   17   18   22   26   29   35   38   43   47   51   60 
LCS_GDT     P    17_A     P    17_A      3    4   24      3    3    3    3    5    5    6   11   12   17   21   26   31   34   37   38   41   44   49   51 
LCS_GDT     N    18_A     N    18_A      3   14   36      3    3    5    5    9   15   16   16   17   21   25   29   32   34   38   42   46   49   50   54 
LCS_GDT     Y    19_A     Y    19_A     13   14   36      3    3   11   13   15   15   16   17   21   24   28   31   34   39   44   45   48   49   54   59 
LCS_GDT     D    20_A     D    20_A     13   14   36      3    3   11   13   15   15   16   17   21   24   28   33   35   39   44   45   48   50   56   61 
LCS_GDT     Y    21_A     Y    21_A     13   14   36      6   10   11   13   15   15   16   17   21   24   28   33   35   39   44   45   48   50   56   61 
LCS_GDT     S    22_A     S    22_A     13   14   36      7   10   11   13   15   15   16   17   21   24   28   33   35   39   44   45   48   50   56   61 
LCS_GDT     A    23_A     A    23_A     13   14   36      7   10   11   13   15   15   16   17   21   24   28   33   35   39   44   45   48   50   56   61 
LCS_GDT     D    24_A     D    24_A     13   14   36      7   10   11   13   15   15   16   17   21   24   28   33   35   39   44   68   72   72   80   83 
LCS_GDT     K    25_A     K    25_A     13   14   36      7   10   11   13   15   15   16   17   19   22   28   33   35   39   44   45   48   50   63   70 
LCS_GDT     K    26_A     K    26_A     13   14   36      7   10   11   13   15   15   16   17   19   22   28   33   35   39   44   45   48   50   56   61 
LCS_GDT     L    27_A     L    27_A     13   14   36      7   10   11   13   15   15   16   17   19   22   27   33   35   39   44   45   48   50   56   61 
LCS_GDT     I    28_A     I    28_A     13   14   36      7   10   11   13   15   15   16   17   19   22   23   28   35   39   44   45   48   50   56   61 
LCS_GDT     E    29_A     E    29_A     13   14   36      7   10   11   13   15   15   16   17   19   22   23   27   33   39   44   45   48   50   56   61 
LCS_GDT     I    30_A     I    30_A     13   14   36      7   10   11   13   15   15   16   16   17   22   23   26   30   36   44   44   48   50   56   60 
LCS_GDT     N    31_A     N    31_A     13   14   36      3    8   11   13   15   15   16   17   19   22   23   27   30   36   44   44   48   50   56   61 
LCS_GDT     T    32_A     T    32_A      4   14   36      4    4    6    6    8   11   15   17   19   22   23   27   33   38   44   44   48   50   56   61 
LCS_GDT     R    33_A     R    33_A      4    5   36      4    4    6    6    8   12   14   16   21   24   28   33   35   39   44   45   48   50   56   61 
LCS_GDT     P    34_A     P    34_A      4   12   36      4    4    6    6    8   15   18   18   21   24   28   33   35   39   44   45   48   50   56   61 
LCS_GDT     I    35_A     I    35_A      4   12   36      4    4    9   12   14   16   18   18   21   24   28   31   35   39   44   45   48   50   55   61 
LCS_GDT     S    36_A     S    36_A      4   12   36      3    3    4    8   14   16   18   18   21   24   28   31   35   39   44   45   48   50   56   61 
LCS_GDT     T    37_A     T    37_A      9   12   36      5    8   10   12   14   16   18   18   21   24   28   33   35   39   44   45   48   51   56   61 
LCS_GDT     D    38_A     D    38_A      9   12   36      5    8   10   12   14   16   18   18   21   24   28   33   35   39   44   45   48   50   56   63 
LCS_GDT     N    39_A     N    39_A      9   12   36      5    8   10   12   14   16   18   18   21   24   28   33   35   39   44   50   56   61   64   68 
LCS_GDT     A    40_A     A    40_A      9   12   36      5    8   10   12   14   16   18   18   21   24   28   33   38   43   50   63   67   84   87   91 
LCS_GDT     K    41_A     K    41_A      9   12   49      5    8   10   12   14   16   18   18   21   24   28   33   43   51   63   69   80   86   92   97 
LCS_GDT     Y    42_A     Y    42_A      9   12   51      5    8   10   12   14   16   18   18   21   24   28   33   38   45   50   55   59   65   69   72 
LCS_GDT     W    43_A     W    43_A      9   12   56      4    8   10   12   14   16   18   21   25   32   38   41   44   49   53   56   62   67   78   88 
LCS_GDT     C    44_A     C    44_A      9   12   57      4    8   10   12   14   17   24   30   32   35   38   42   49   61   72   78   91   97  103  110 
LCS_GDT     F    45_A     F    45_A      9   12   57      4    5   10   12   14   16   18   23   27   34   38   42   45   49   53   62   73   85   99  105 
LCS_GDT     D    46_A     D    46_A      3   12   57      3    3    4    5   13   16   18   18   20   24   28   39   42   45   51   57   62   64   68   77 
LCS_GDT     K    47_A     K    47_A      3    4   57      3    3    3    4    5    8    9   12   19   23   27   32   46   52   57   59   63   65   68   77 
LCS_GDT     G    48_A     G    48_A      3   17   57      3    3    3    5    8   16   18   18   21   24   35   43   47   50   57   59   63   65   68   77 
LCS_GDT     N    49_A     N    49_A     17   18   57      7   13   15   16   17   23   26   31   34   39   42   45   49   54   57   63   76   87   99  105 
LCS_GDT     D    50_A     D    50_A     17   18   57     12   14   15   16   19   22   25   31   34   39   42   45   49   54   72   82   91   99  102  110 
LCS_GDT     L    51_A     L    51_A     17   18   57     12   14   15   17   19   22   24   28   31   36   41   45   49   54   57   65   76   88  100  109 
LCS_GDT     G    52_A     G    52_A     17   18   57     12   14   15   16   17   20   26   31   34   39   42   45   50   66   76   86   91   99  107  111 
LCS_GDT     C    53_A     C    53_A     17   18   57     12   14   15   16   18   26   28   30   34   47   58   64   69   77   83   92   99  102  109  113 
LCS_GDT     L    54_A     L    54_A     17   18   57     12   14   15   16   18   22   24   28   34   39   45   53   65   74   83   90   97  102  108  113 
LCS_GDT     S    55_A     S    55_A     17   18   57     12   14   15   16   19   20   24   31   34   47   58   64   69   77   83   90   99  102  109  113 
LCS_GDT     L    56_A     L    56_A     17   18   57     12   14   15   16   20   26   28   31   34   40   49   54   70   82   90   95  101  103  109  113 
LCS_GDT     E    57_A     E    57_A     17   18   57     12   14   15   16   19   26   34   36   40   42   52   64   75   83   92   97  101  103  109  113 
LCS_GDT     K    58_A     K    58_A     17   18   57     12   14   15   17   19   26   31   36   40   43   52   65   75   83   92   97  101  103  109  113 
LCS_GDT     L    59_A     L    59_A     17   18   57     12   14   15   16   17   24   28   31   34   39   42   54   66   82   90   97  101  103  109  113 
LCS_GDT     E    60_A     E    60_A     17   18   57     12   14   15   16   20   26   28   30   34   39   42   45   53   73   89   97  101  102  108  113 
LCS_GDT     A    61_A     A    61_A     17   18   57     12   14   15   16   17   17   20   28   34   39   42   50   62   76   89   97  101  102  108  113 
LCS_GDT     L    62_A     L    62_A     17   18   57      5   14   15   17   19   26   28   31   34   39   42   45   61   74   89   97  101  102  108  113 
LCS_GDT     E    63_A     E    63_A     17   18   57      8   14   15   16   20   23   27   30   34   38   42   45   48   54   57   59   63   66  100  110 
LCS_GDT     S    64_A     S    64_A     17   18   57      5   13   15   16   17   23   27   30   34   38   42   45   48   54   57   68   73   82   89  106 
LCS_GDT     K    65_A     K    65_A     17   18   57     11   12   14   17   20   26   28   31   34   39   42   45   49   54   64   69   82   96  103  110 
LCS_GDT     D    66_A     D    66_A     12   18   57     11   12   14   17   20   26   28   31   34   39   42   45   49   54   57   59   63   69   77   98 
LCS_GDT     L    67_A     L    67_A     12   18   57     11   12   14   17   20   26   28   31   34   39   42   45   49   54   57   59   63   74   90   99 
LCS_GDT     K    68_A     K    68_A     12   18   57     11   12   14   17   20   26   28   31   34   39   42   45   49   54   57   59   63   69   77   98 
LCS_GDT     K    69_A     K    69_A     12   18   57     11   12   14   17   20   26   28   31   34   39   42   45   49   54   57   59   64   80   90  110 
LCS_GDT     V    70_A     V    70_A     12   18   57     11   12   14   17   20   26   28   31   34   39   42   45   51   61   74   88   98  102  108  113 
LCS_GDT     V    71_A     V    71_A     12   18   57     11   12   14   17   20   26   28   31   34   39   42   45   49   54   60   67   84   98  105  113 
LCS_GDT     K    72_A     K    72_A     12   18   57     11   12   14   17   20   26   28   31   34   39   42   45   49   54   60   63   73   80  102  110 
LCS_GDT     F    73_A     F    73_A     12   18   57     11   12   14   17   20   26   28   31   34   42   46   48   51   59   73   86   97  102  108  113 
LCS_GDT     Y    74_A     Y    74_A     12   18   57     11   12   14   17   19   26   28   33   40   42   47   54   61   77   85   97  101  102  109  113 
LCS_GDT     E    75_A     E    75_A     12   18   57     11   12   14   17   20   26   28   31   34   42   46   48   51   57   67   84   94  102  108  113 
LCS_GDT     K    76_A     K    76_A     12   18   57      4    9   12   16   20   26   28   31   34   42   46   48   51   56   64   78   94  102  107  113 
LCS_GDT     T    77_A     T    77_A      9   18   57      4    9   10   15   20   26   28   31   34   42   46   48   51   59   67   85   94  102  108  113 
LCS_GDT     I    78_A     I    78_A      9   18   57      5    9   10   15   20   26   28   31   34   39   42   45   49   58   64   78   92  102  107  113 
LCS_GDT     P    79_A     P    79_A      9   18   57      5    9   10   17   20   26   28   31   34   39   42   45   49   54   63   78   86   93  103  112 
LCS_GDT     E    80_A     E    80_A      9   18   57      5    9   10   16   20   26   28   31   34   39   42   45   51   54   63   78   86   95  103  112 
LCS_GDT     Y    81_A     Y    81_A      9   17   57      5    9   10   14   20   26   28   31   34   39   42   45   49   54   57   78   86   92  100  109 
LCS_GDT     C    82_A     C    82_A      9   14   57      5    9   10   13   17   23   27   30   34   38   42   45   49   54   57   59   63   78   95  100 
LCS_GDT     Y    83_A     Y    83_A      9   14   57      4    9   10   17   20   26   28   31   34   39   42   45   49   54   57   59   63   69   86   90 
LCS_GDT     D    84_A     D    84_A      9   14   57      3    5   10   11   18   26   28   30   34   39   42   45   49   54   62   78   86   93  100  109 
LCS_GDT     K    85_A     K    85_A      5   14   57      3    4    5    9   11   13   19   25   31   37   41   45   49   52   57   59   63   69   76   87 
LCS_GDT     K    86_A     K    86_A      5   14   57      3    4    8   15   20   26   28   31   34   39   42   45   49   54   57   67   82   88   97  104 
LCS_GDT     F    87_A     F    87_A      5   14   57      3    7    8   15   20   26   28   30   34   39   42   45   49   54   62   78   84   90   99  109 
LCS_GDT     A    88_A     A    88_A      5    9   57      4    5    6   12   18   26   28   31   34   39   42   45   49   54   63   78   86   92  100  109 
LCS_GDT     P    89_A     P    89_A      5    9   57      4    5    6    8   13   18   28   30   33   37   42   45   49   52   62   78   82   90   99  109 
LCS_GDT     A    90_A     A    90_A      5   11   57      4    5    6    7   11   17   23   25   32   38   43   61   69   75   84   93   98  102  109  112 
LCS_GDT     C    91_A     C    91_A      9   17   57      5    8    9   13   16   20   24   27   30   31   38   52   66   75   82   93   98  102  109  113 
LCS_GDT     N    92_A     N    92_A      9   17   57      3    8    9   13   19   22   24   31   36   45   63   69   74   82   90   93  100  103  109  113 
LCS_GDT     I    93_A     I    93_A      9   18   57      5    8   16   20   21   29   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     P    94_A     P    94_A      9   18   57      5    8   16   23   26   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     A    95_A     A    95_A      9   18   57      5   12   16   20   21   32   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     I    96_A     I    96_A      9   18   57      5    8   14   16   19   22   30   49   59   64   69   77   83   87   92   96  101  103  109  113 
LCS_GDT     D    97_A     D    97_A      9   18   57     10   12   14   17   24   32   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     L    98_A     L    98_A      9   18   57      4    9   10   16   24   32   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     I    99_A     I    99_A      9   18   57      5    9   10   16   17   20   37   48   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Q   100_A     Q   100_A      9   18   57      5    9   10   16   17   31   38   48   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Q   101_A     Q   101_A      9   18   56      5    9   10   16   24   32   39   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   102_A     K   102_A      9   18   56      5    9   10   16   17   20   24   40   53   63   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     L   103_A     L   103_A      9   18   56      5    9   10   16   17   20   24   27   35   43   63   73   83   87   92   97  101  103  109  113 
LCS_GDT     S   104_A     S   104_A      9   18   44      5    9   10   16   17   20   24   30   50   59   67   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   105_A     Y   105_A      9   18   44      4    9   10   16   17   20   24   32   44   59   67   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   106_A     Y   106_A      9   18   44      5    7   10   16   17   20   24   30   38   55   67   77   83   87   92   97  101  103  109  113 
LCS_GDT     V   107_A     V   107_A      7   18   44      5    7    9   13   16   20   24   27   32   43   54   70   78   87   92   97  101  103  109  113 
LCS_GDT     R   108_A     R   108_A      7   18   44      5    7    9   12   16   20   24   27   31   43   50   63   74   85   89   97  101  103  109  113 
LCS_GDT     N   109_A     N   109_A      7   18   69      5    9   10   16   17   20   24   27   32   43   50   63   75   85   90   97  101  103  109  113 
LCS_GDT     D   110_A     D   110_A      5   18   70      3    5    5   16   17   20   24   27   30   38   51   69   76   85   90   97  101  103  109  113 
LCS_GDT     I   111_A     I   111_A      5   15   77      3    5    5    7   12   20   24   27   36   46   58   69   76   85   90   97  101  103  109  113 
LCS_GDT     D   112_A     D   112_A      5    6   82      3    5    5    6    7   10   17   34   40   44   55   68   76   82   90   97  101  103  109  113 
LCS_GDT     N   113_A     N   113_A      3    6   82      3    4    5    9   20   29   33   44   53   61   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   114_A     K   114_A      3    6   82      3    3    5    6   10   14   19   28   42   55   65   77   83   87   92   97  101  103  109  113 
LCS_GDT     T   115_A     T   115_A      6   17   82      5    5    9   15   24   31   40   49   56   63   68   76   83   87   92   96  100  103  109  111 
LCS_GDT     I   116_A     I   116_A      6   17   82      5    6   15   18   25   31   40   49   56   63   68   76   81   86   92   96   99  103  109  111 
LCS_GDT     K   117_A     K   117_A      6   17   82      5    5    9   13   24   31   40   49   58   64   69   77   83   87   92   96  100  103  109  111 
LCS_GDT     T   118_A     T   118_A     13   17   82      5   10   15   18   25   31   40   49   57   64   69   77   83   87   92   96  100  103  109  111 
LCS_GDT     F   119_A     F   119_A     13   17   82      5   11   15   18   23   30   40   49   56   63   68   76   81   85   92   96   99  103  109  111 
LCS_GDT     Y   120_A     Y   120_A     13   17   82      4   11   15   18   23   31   40   49   58   64   69   77   83   87   92   96  100  103  109  112 
LCS_GDT     S   121_A     S   121_A     13   17   82      7   11   15   18   25   31   40   49   58   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     D   122_A     D   122_A     13   17   82      7   11   15   18   25   31   40   49   58   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   123_A     Y   123_A     13   17   82      5   11   15   18   25   31   40   49   58   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     A   124_A     A   124_A     13   17   82      7   11   15   23   26   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   125_A     K   125_A     13   17   82      7   11   15   18   25   32   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     A   126_A     A   126_A     13   17   82      7   11   15   18   25   31   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     L   127_A     L   127_A     13   17   82      7   11   15   23   26   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     S   128_A     S   128_A     13   17   82      6   11   15   17   25   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     E   129_A     E   129_A     13   17   82      6   11   15   17   23   30   39   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     S   130_A     S   130_A     13   17   82     10   11   15   17   25   32   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   131_A     K   131_A     13   17   82     10   10   13   13   14   18   20   43   54   63   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     A   132_A     A   132_A     13   15   82     10   10   13   13   14   14   14   18   24   40   51   64   72   79   90   95  101  103  109  113 
LCS_GDT     D   133_A     D   133_A     13   15   82     10   10   13   13   14   21   37   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     V   134_A     V   134_A     13   15   82     10   10   13   16   19   29   39   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   135_A     K   135_A     13   15   82     10   11   15   17   23   30   37   43   55   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     M   136_A     M   136_A     13   15   82     10   10   13   13   14   14   37   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     L   137_A     L   137_A     13   15   82     10   10   13   14   16   19   24   30   43   56   64   77   83   87   92   97  101  103  109  113 
LCS_GDT     E   138_A     E   138_A     13   15   82     10   10   13   13   14   22   33   41   47   53   65   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   139_A     Y   139_A     13   15   82     10   10   13   18   25   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     G   140_A     G   140_A     13   15   82      3   10   13   13   14   16   21   30   50   59   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     C   141_A     C   141_A     13   15   82      3    8   13   16   17   18   22   24   31   38   42   60   75   86   92   97  101  103  109  113 
LCS_GDT     N   142_A     N   142_A     13   15   82      3    9   13   13   14   14   20   30   41   53   63   73   83   87   92   97  101  103  109  113 
LCS_GDT     E   143_A     E   143_A      4   34   82      3    6   10   16   23   30   40   49   55   61   68   77   83   87   92   97  101  103  109  112 
LCS_GDT     L   144_A     L   144_A      4   34   82      3    6   15   18   24   31   40   49   56   63   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   145_A     K   145_A      4   34   82      3    7   14   24   27   32   34   37   53   57   68   73   83   87   92   97  101  103  109  113 
LCS_GDT     S   146_A     S   146_A      4   34   82      3    8   17   30   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     A   147_A     A   147_A     28   34   82      3   20   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   148_A     Y   148_A     28   34   82      3   15   25   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     I   149_A     I   149_A     28   34   82      7   20   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     C   150_A     C   150_A     28   34   82      9   20   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     R   151_A     R   151_A     28   34   82      9   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     D   152_A     D   152_A     28   34   82      9   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     L   153_A     L   153_A     28   34   82      9   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     R   154_A     R   154_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     D   155_A     D   155_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     M   156_A     M   156_A     28   34   82      7   18   27   31   32   33   35   43   51   63   68   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   157_A     Y   157_A     28   34   82      9   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   158_A     K   158_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   159_A     Y   159_A     28   34   82     11   21   27   31   32   33   38   48   59   63   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     L   160_A     L   160_A     28   34   82     11   21   27   31   32   33   38   48   59   63   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     G   161_A     G   161_A     28   34   82      8   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     D   162_A     D   162_A     28   34   82      3   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   163_A     K   163_A     28   34   82      4   18   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     E   164_A     E   164_A     28   34   82     10   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   165_A     K   165_A     28   34   82     10   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     T   166_A     T   166_A     28   34   82      8   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   167_A     K   167_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     E   168_A     E   168_A     28   34   82     10   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   169_A     Y   169_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     N   170_A     N   170_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     D   171_A     D   171_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   172_A     K   172_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     M   173_A     M   173_A     28   34   82     11   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   174_A     K   174_A     28   34   82     10   21   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     N   175_A     N   175_A     28   34   82      6   18   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     G   176_A     G   176_A     28   34   82      3   19   27   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     D   177_A     D   177_A      5   34   82      3    5    5    5    7   20   27   49   58   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     E   178_A     E   178_A      5   34   82      3    5    5    8   14   29   35   44   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     K   179_A     K   179_A      5    6   82      3    5    5    7   10   14   27   38   46   56   64   73   83   85   89   97  101  103  109  113 
LCS_GDT     W   180_A     W   180_A      5    6   82      3    5    5   15   25   32   38   48   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     N   181_A     N   181_A      5    6   82      3    5    9   11   29   33   38   48   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     S   182_A     S   182_A      3    5   82      3    4    4    8   28   32   38   48   59   63   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     V   183_A     V   183_A      3    5   82      3    4    4    5   11   22   38   48   56   63   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     L   184_A     L   184_A      3    7   82      3    3    4    7   10   20   31   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   185_A     Y   185_A      4    7   82      5   19   26   31   32   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     D   186_A     D   186_A      4    7   82      3    3    4    7   12   14   18   20   50   60   68   76   82   87   92   96  101  103  109  113 
LCS_GDT     Y   187_A     Y   187_A      4    7   82      3    4    9    9   10   12   13   16   25   28   46   64   71   79   85   93  100  103  109  113 
LCS_GDT     K   188_A     K   188_A      4    7   82      3    3    4    7   10   12   13   16   18   28   41   49   69   79   85   90   97  102  109  112 
LCS_GDT     H   189_A     H   189_A      3    7   82      3    3    6   18   28   33   40   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     M   190_A     M   190_A      3    7   82      3    3    4    6   10   22   37   49   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     R   191_A     R   191_A      4    6   82      3    3    5    7   18   27   35   46   59   64   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     Y   192_A     Y   192_A      4    6   82      4    7   18   27   30   33   35   44   55   61   69   77   83   87   92   97  101  103  109  113 
LCS_GDT     I   193_A     I   193_A      4    6   82      3    4    5    7   15   27   33   37   45   52   64   73   83   85   89   97  101  103  107  113 
LCS_GDT     H   194_A     H   194_A      4    6   80      3    4    5    6    8   10   11   16   17   19   23   28   41   49   58   77   89   93   97  101 
LCS_GDT     G   195_A     G   195_A      4    6   72      3    4    5    6    6    8   11   16   17   19   21   23   41   52   78   83   92   95   97  104 
LCS_GDT     G   196_A     G   196_A      3    6   55      3    3    5    6    6    8   11   12   16   19   21   21   22   27   34   50   56   62   73   88 
LCS_GDT     Y   197_A     Y   197_A      3   11   25      3    3    5    6    6    8   11   12   17   19   21   34   36   40   44   54   63   70   84   92 
LCS_GDT     S   198_A     S   198_A     10   11   25      5    9    9   10   10   12   13   14   15   15   21   34   36   38   42   45   51   62   67   74 
LCS_GDT     S   199_A     S   199_A     10   11   25      5    9    9   10   10   12   13   14   15   16   21   21   22   28   31   35   39   43   47   48 
LCS_GDT     W   200_A     W   200_A     10   11   25      5    9    9   10   10   12   13   16   17   19   21   21   22   23   24   24   25   28   37   52 
LCS_GDT     W   201_A     W   201_A     10   11   25      5    9    9   10   10   12   13   16   17   19   21   21   22   37   38   46   48   56   65   72 
LCS_GDT     L   202_A     L   202_A     10   11   25      5    9    9   10   10   12   13   16   17   19   21   21   32   36   38   40   42   45   49   55 
LCS_GDT     L   203_A     L   203_A     10   11   25      5    9    9   10   10   12   13   16   17   19   21   21   24   28   31   35   39   40   47   52 
LCS_GDT     E   204_A     E   204_A     10   11   25      5    9    9   10   10   12   13   16   17   19   21   29   34   35   37   41   45   53   56   61 
LCS_GDT     K   205_A     K   205_A     10   11   25      3    9    9   11   13   17   18   22   24   25   27   29   32   34   35   38   39   43   49   54 
LCS_GDT     I   206_A     I   206_A     10   11   25      3    9    9   10   10   12   13   16   17   19   21   23   24   28   31   35   39   40   43   46 
LCS_GDT     K   207_A     K   207_A     10   11   25      3    3    5   10   10   12   13   16   19   21   23   23   24   28   31   35   39   40   43   46 
LCS_AVERAGE  LCS_A:  14.25  (   5.69    8.21   28.85 )

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     12     21     27     31     32     33     40     49     59     64     69     77     83     87     92     97    101    103    109    113 
GDT PERCENT_AT   5.80  10.14  13.04  14.98  15.46  15.94  19.32  23.67  28.50  30.92  33.33  37.20  40.10  42.03  44.44  46.86  48.79  49.76  52.66  54.59
GDT RMS_LOCAL    0.30   0.66   0.85   1.07   1.15   1.45   2.36   2.72   3.18   3.37   3.56   3.96   4.27   4.46   4.84   5.51   5.63   5.46   5.83   6.58
GDT RMS_ALL_AT  32.74  18.64  18.68  18.54  18.49  18.43  18.79  19.33  18.80  18.94  18.87  18.68  18.54  18.52  18.47  18.13  18.16  18.29  18.40  18.33

# Checking swapping
#   possible swapping detected:  D     3_A      D     3_A
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    21_A      Y    21_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  Y    81_A      Y    81_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  F   119_A      F   119_A
#   possible swapping detected:  D   122_A      D   122_A
#   possible swapping detected:  Y   123_A      Y   123_A
#   possible swapping detected:  D   133_A      D   133_A
#   possible swapping detected:  E   138_A      E   138_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   143_A      E   143_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  D   155_A      D   155_A
#   possible swapping detected:  Y   157_A      Y   157_A
#   possible swapping detected:  Y   159_A      Y   159_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  E   164_A      E   164_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  D   171_A      D   171_A
#   possible swapping detected:  E   178_A      E   178_A
#   possible swapping detected:  Y   185_A      Y   185_A
#   possible swapping detected:  D   186_A      D   186_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  Y   197_A      Y   197_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    40.446     0    0.049   0.049    41.499    0.000    0.000
LGA    I     2_A      I     2_A    40.942     0    0.484   0.433    46.916    0.000    0.000
LGA    D     3_A      D     3_A    33.968     0    0.130   0.919    36.533    0.000    0.000
LGA    P     4_A      P     4_A    31.354     0    0.371   0.355    31.953    0.000    0.000
LGA    F     5_A      F     5_A    29.170     0    0.552   0.748    31.117    0.000    0.000
LGA    T     6_A      T     6_A    32.692     0    0.408   0.355    33.300    0.000    0.000
LGA    W     7_A      W     7_A    34.740     0    0.544   1.083    38.718    0.000    0.000
LGA    G     8_A      G     8_A    34.378     0    0.077   0.077    35.077    0.000    0.000
LGA    F     9_A      F     9_A    35.940     0    0.568   1.154    38.398    0.000    0.000
LGA    G    10_A      G    10_A    36.177     0    0.269   0.269    37.314    0.000    0.000
LGA    G    11_A      G    11_A    36.260     0    0.565   0.565    36.260    0.000    0.000
LGA    S    12_A      S    12_A    33.053     0    0.583   0.797    34.615    0.000    0.000
LGA    S    13_A      S    13_A    32.004     0    0.144   0.636    32.665    0.000    0.000
LGA    K    14_A      K    14_A    32.006     0    0.616   0.844    35.297    0.000    0.000
LGA    E    15_A      E    15_A    31.937     0    0.586   1.091    31.937    0.000    0.000
LGA    K    16_A      K    16_A    31.099     0    0.213   0.575    32.932    0.000    0.000
LGA    P    17_A      P    17_A    31.494     0    0.611   0.578    34.556    0.000    0.000
LGA    N    18_A      N    18_A    33.585     0    0.426   1.123    37.895    0.000    0.000
LGA    Y    19_A      Y    19_A    29.518     0    0.196   0.639    31.747    0.000    0.000
LGA    D    20_A      D    20_A    29.693     0    0.623   0.840    32.626    0.000    0.000
LGA    Y    21_A      Y    21_A    27.170     0    0.369   1.490    28.539    0.000    0.000
LGA    S    22_A      S    22_A    32.528     0    0.085   0.118    35.083    0.000    0.000
LGA    A    23_A      A    23_A    28.672     0    0.047   0.065    29.740    0.000    0.000
LGA    D    24_A      D    24_A    22.843     0    0.069   0.936    24.851    0.000    0.000
LGA    K    25_A      K    25_A    27.971     0    0.049   0.113    37.010    0.000    0.000
LGA    K    26_A      K    26_A    32.557     0    0.067   1.176    42.053    0.000    0.000
LGA    L    27_A      L    27_A    27.476     0    0.040   1.377    28.830    0.000    0.000
LGA    I    28_A      I    28_A    25.190     0    0.074   0.881    27.892    0.000    0.000
LGA    E    29_A      E    29_A    32.577     0    0.080   0.842    38.455    0.000    0.000
LGA    I    30_A      I    30_A    35.419     0    0.157   1.549    38.368    0.000    0.000
LGA    N    31_A      N    31_A    30.708     0    0.664   0.976    31.636    0.000    0.000
LGA    T    32_A      T    32_A    32.437     0    0.189   1.108    34.999    0.000    0.000
LGA    R    33_A      R    33_A    34.869     0    0.128   1.566    39.463    0.000    0.000
LGA    P    34_A      P    34_A    33.624     0    0.162   0.713    37.681    0.000    0.000
LGA    I    35_A      I    35_A    31.475     0    0.599   1.728    31.922    0.000    0.000
LGA    S    36_A      S    36_A    28.824     0    0.400   0.648    30.417    0.000    0.000
LGA    T    37_A      T    37_A    23.821     0    0.278   1.159    25.956    0.000    0.000
LGA    D    38_A      D    38_A    27.709     0    0.053   1.186    32.565    0.000    0.000
LGA    N    39_A      N    39_A    25.553     0    0.067   1.288    29.007    0.000    0.000
LGA    A    40_A      A    40_A    18.094     0    0.103   0.100    20.889    0.000    0.000
LGA    K    41_A      K    41_A    18.898     0    0.053   0.071    21.056    0.000    0.000
LGA    Y    42_A      Y    42_A    24.430     0    0.039   0.180    35.086    0.000    0.000
LGA    W    43_A      W    43_A    21.480     0    0.103   1.159    21.868    0.000    0.000
LGA    C    44_A      C    44_A    16.147     0    0.121   0.802    18.182    0.000    0.000
LGA    F    45_A      F    45_A    20.922     0    0.561   1.205    25.381    0.000    0.000
LGA    D    46_A      D    46_A    27.136     0    0.642   1.325    28.947    0.000    0.000
LGA    K    47_A      K    47_A    27.698     0    0.160   0.876    36.720    0.000    0.000
LGA    G    48_A      G    48_A    25.773     0    0.355   0.355    26.363    0.000    0.000
LGA    N    49_A      N    49_A    20.041     0    0.612   0.821    22.709    0.000    0.000
LGA    D    50_A      D    50_A    17.148     0    0.138   1.220    19.708    0.000    0.000
LGA    L    51_A      L    51_A    16.816     0    0.050   1.041    18.436    0.000    0.000
LGA    G    52_A      G    52_A    13.764     0    0.082   0.082    15.185    0.000    0.000
LGA    C    53_A      C    53_A    10.428     0    0.041   0.081    11.882    0.357    0.238
LGA    L    54_A      L    54_A    11.134     0    0.054   0.051    16.419    0.119    0.060
LGA    S    55_A      S    55_A     9.668     0    0.070   0.691    10.617    1.548    1.111
LGA    L    56_A      L    56_A     9.134     0    0.048   0.097    11.100    1.071    0.833
LGA    E    57_A      E    57_A    10.578     0    0.026   0.821    13.572    0.357    0.159
LGA    K    58_A      K    58_A    10.605     0    0.027   1.302    12.180    0.000    2.275
LGA    L    59_A      L    59_A    11.379     0    0.040   0.069    14.656    0.000    0.000
LGA    E    60_A      E    60_A    14.884     0    0.077   0.793    18.522    0.000    0.000
LGA    A    61_A      A    61_A    17.208     0    0.042   0.054    19.809    0.000    0.000
LGA    L    62_A      L    62_A    16.909     0    0.248   0.209    20.359    0.000    0.000
LGA    E    63_A      E    63_A    20.994     0    0.111   1.010    25.045    0.000    0.000
LGA    S    64_A      S    64_A    24.751     0    0.168   0.767    28.319    0.000    0.000
LGA    K    65_A      K    65_A    25.412     0    0.553   1.064    28.516    0.000    0.000
LGA    D    66_A      D    66_A    27.644     0    0.084   0.294    30.564    0.000    0.000
LGA    L    67_A      L    67_A    25.359     0    0.083   1.384    26.572    0.000    0.000
LGA    K    68_A      K    68_A    27.595     0    0.065   0.686    36.583    0.000    0.000
LGA    K    69_A      K    69_A    23.853     0    0.071   0.813    25.285    0.000    0.000
LGA    V    70_A      V    70_A    18.220     0    0.036   1.019    20.494    0.000    0.000
LGA    V    71_A      V    71_A    20.500     0    0.035   0.044    23.233    0.000    0.000
LGA    K    72_A      K    72_A    22.609     0    0.048   0.652    30.297    0.000    0.000
LGA    F    73_A      F    73_A    16.986     0    0.085   1.574    18.957    0.000    0.000
LGA    Y    74_A      Y    74_A    13.535     0    0.046   1.628    15.054    0.000    0.000
LGA    E    75_A      E    75_A    18.018     0    0.136   0.296    22.043    0.000    0.000
LGA    K    76_A      K    76_A    19.783     0    0.107   0.894    22.377    0.000    0.000
LGA    T    77_A      T    77_A    16.706     0    0.019   0.052    17.366    0.000    0.000
LGA    I    78_A      I    78_A    16.101     0    0.071   0.333    17.744    0.000    0.000
LGA    P    79_A      P    79_A    19.441     0    0.094   0.493    21.484    0.000    0.000
LGA    E    80_A      E    80_A    20.519     0    0.063   1.040    21.715    0.000    0.000
LGA    Y    81_A      Y    81_A    19.527     0    0.041   0.903    21.419    0.000    0.000
LGA    C    82_A      C    82_A    21.196     0    0.059   0.900    23.660    0.000    0.000
LGA    Y    83_A      Y    83_A    23.950     0    0.349   1.345    26.329    0.000    0.000
LGA    D    84_A      D    84_A    23.139     0    0.048   1.178    25.973    0.000    0.000
LGA    K    85_A      K    85_A    26.430     0    0.220   0.812    34.559    0.000    0.000
LGA    K    86_A      K    86_A    23.206     0    0.365   1.017    24.356    0.000    0.000
LGA    F    87_A      F    87_A    19.764     0    0.119   1.193    22.365    0.000    0.000
LGA    A    88_A      A    88_A    17.431     0    0.668   0.629    18.988    0.000    0.000
LGA    P    89_A      P    89_A    15.538     0    0.136   0.396    18.985    0.000    0.000
LGA    A    90_A      A    90_A    10.190     0    0.093   0.098    12.230    3.214    2.571
LGA    C    91_A      C    91_A     9.830     0    0.134   0.870    13.506    2.024    1.349
LGA    N    92_A      N    92_A     7.357     0    0.269   0.922    12.343   15.595    8.155
LGA    I    93_A      I    93_A     3.994     0    0.050   0.651     5.399   45.476   41.607
LGA    P    94_A      P    94_A     2.239     0    0.051   0.077     3.564   62.857   55.442
LGA    A    95_A      A    95_A     2.679     0    0.059   0.059     3.748   53.571   51.524
LGA    I    96_A      I    96_A     5.189     0    0.050   0.084     7.847   28.214   19.286
LGA    D    97_A      D    97_A     5.147     0    0.078   0.788     6.943   23.095   35.119
LGA    L    98_A      L    98_A     5.191     0    0.153   0.871     7.262   22.262   25.298
LGA    I    99_A      I    99_A     6.026     0    0.109   0.735     7.428   16.667   20.417
LGA    Q   100_A      Q   100_A     6.944     0    0.045   0.259     7.896   11.905   11.270
LGA    Q   101_A      Q   101_A     6.323     0    0.135   0.345     8.148   12.262   20.212
LGA    K   102_A      K   102_A     8.095     0    0.060   0.939    12.198    4.167    2.963
LGA    L   103_A      L   103_A    10.086     0    0.040   0.134    11.467    0.357    0.357
LGA    S   104_A      S   104_A    10.426     0    0.086   0.644    11.414    0.000    0.794
LGA    Y   105_A      Y   105_A    11.441     0    0.105   1.500    19.888    0.000    0.000
LGA    Y   106_A      Y   106_A    10.932     0    0.039   1.082    12.545    0.000    0.040
LGA    V   107_A      V   107_A    11.484     0    0.064   0.070    13.331    0.000    0.000
LGA    R   108_A      R   108_A    14.215     0    0.285   0.943    19.917    0.000    0.000
LGA    N   109_A      N   109_A    14.809     0    0.265   0.876    16.884    0.000    0.000
LGA    D   110_A      D   110_A    16.794     0    0.071   0.180    19.546    0.000    0.000
LGA    I   111_A      I   111_A    15.876     0    0.687   1.668    16.732    0.000    0.000
LGA    D   112_A      D   112_A    17.449     0    0.303   1.188    23.693    0.000    0.000
LGA    N   113_A      N   113_A    10.519     0    0.599   0.613    12.866    1.071    0.595
LGA    K   114_A      K   114_A     9.273     0    0.630   0.911    16.723    4.167    1.852
LGA    T   115_A      T   115_A     3.334     0    0.602   1.414     5.004   51.429   60.884
LGA    I   116_A      I   116_A     2.136     0    0.111   1.525     5.736   66.786   57.560
LGA    K   117_A      K   117_A     2.518     0    0.051   1.090     5.411   60.952   49.365
LGA    T   118_A      T   118_A     1.928     0    0.125   1.110     3.991   66.905   64.082
LGA    F   119_A      F   119_A     3.079     0    0.087   1.194    10.053   55.357   28.528
LGA    Y   120_A      Y   120_A     2.502     0    0.042   1.521     8.415   60.952   44.048
LGA    S   121_A      S   121_A     1.739     0    0.073   0.538     2.601   72.976   70.317
LGA    D   122_A      D   122_A     2.302     0    0.047   0.178     4.091   64.762   56.667
LGA    Y   123_A      Y   123_A     2.279     0    0.088   1.262    11.530   75.357   36.151
LGA    A   124_A      A   124_A     1.063     0    0.064   0.068     1.392   83.690   83.238
LGA    K   125_A      K   125_A     1.453     0    0.032   0.800     5.344   77.381   60.794
LGA    A   126_A      A   126_A     1.946     0    0.047   0.045     2.455   75.000   72.952
LGA    L   127_A      L   127_A     0.742     0    0.135   1.370     5.704   79.643   58.810
LGA    S   128_A      S   128_A     3.017     0    0.073   0.084     4.680   49.405   51.984
LGA    E   129_A      E   129_A     3.792     0    0.249   0.916     5.461   42.024   38.783
LGA    S   130_A      S   130_A     1.941     0    0.532   0.781     2.541   66.905   71.825
LGA    K   131_A      K   131_A     5.811     0    0.074   1.483    16.561   25.119   11.481
LGA    A   132_A      A   132_A     7.601     0    0.078   0.077     9.711   14.762   11.905
LGA    D   133_A      D   133_A     4.697     0    0.039   0.267     9.238   37.500   23.750
LGA    V   134_A      V   134_A     3.374     0    0.053   0.072     7.346   53.810   38.367
LGA    K   135_A      K   135_A     4.274     0    0.090   1.175     7.671   48.571   27.566
LGA    M   136_A      M   136_A     4.883     0    0.065   0.134    11.848   33.095   18.155
LGA    L   137_A      L   137_A     6.384     0    0.217   1.291    11.152   19.286   10.655
LGA    E   138_A      E   138_A     5.706     0    0.268   1.020    12.307   31.905   15.450
LGA    Y   139_A      Y   139_A     1.461     0    0.063   1.332     8.837   65.357   35.794
LGA    G   140_A      G   140_A     6.956     0    0.081   0.081     8.536   13.690   13.690
LGA    C   141_A      C   141_A     9.162     0    0.089   0.803    12.671    3.690    2.460
LGA    N   142_A      N   142_A     7.043     0    0.437   0.866    11.795   20.714   10.833
LGA    E   143_A      E   143_A     3.023     0    0.160   1.015     5.049   46.905   39.630
LGA    L   144_A      L   144_A     2.517     0    0.176   1.373     5.529   51.905   44.643
LGA    K   145_A      K   145_A     5.505     0    0.243   0.939    14.032   28.333   13.175
LGA    S   146_A      S   146_A     4.538     0    0.584   0.511     7.883   47.143   36.190
LGA    A   147_A      A   147_A     2.823     0    0.105   0.122     3.915   61.190   57.619
LGA    Y   148_A      Y   148_A     2.420     0    0.636   1.298     5.897   52.619   49.087
LGA    I   149_A      I   149_A     1.820     0    0.328   0.737     5.290   68.810   53.155
LGA    C   150_A      C   150_A     1.712     0    0.054   0.069     3.549   81.667   72.460
LGA    R   151_A      R   151_A     1.287     0    0.079   1.090     9.524   75.833   41.255
LGA    D   152_A      D   152_A     3.547     0    0.026   0.182     4.757   47.143   40.714
LGA    L   153_A      L   153_A     3.456     0    0.029   0.049     5.305   51.786   43.155
LGA    R   154_A      R   154_A     1.450     0    0.076   1.170     4.635   65.357   54.805
LGA    D   155_A      D   155_A     4.282     0    0.056   0.327     5.703   33.690   31.905
LGA    M   156_A      M   156_A     6.189     0    0.128   0.592     7.420   21.548   17.024
LGA    Y   157_A      Y   157_A     4.423     0    0.065   0.277     7.702   38.810   28.413
LGA    K   158_A      K   158_A     3.676     0    0.099   0.240     7.408   36.071   31.481
LGA    Y   159_A      Y   159_A     6.254     0    0.167   0.201     6.988   17.262   17.262
LGA    L   160_A      L   160_A     6.340     0    0.155   1.371     8.520   17.262   16.548
LGA    G   161_A      G   161_A     4.586     0    0.056   0.056     4.849   37.381   37.381
LGA    D   162_A      D   162_A     3.456     0    0.598   0.606     5.345   52.024   42.500
LGA    K   163_A      K   163_A     1.721     0    0.044   1.058     4.654   72.976   61.905
LGA    E   164_A      E   164_A     2.623     0    0.049   0.781     7.606   62.857   42.011
LGA    K   165_A      K   165_A     2.305     0    0.075   1.074     9.097   73.095   47.196
LGA    T   166_A      T   166_A     0.467     0    0.079   0.115     1.326   92.857   90.544
LGA    K   167_A      K   167_A     1.391     0    0.078   0.803     6.370   79.405   62.857
LGA    E   168_A      E   168_A     2.261     0    0.034   0.145     3.296   64.881   59.841
LGA    Y   169_A      Y   169_A     1.549     0    0.083   0.193     5.891   70.833   56.429
LGA    N   170_A      N   170_A     2.079     0    0.037   1.253     3.533   61.190   58.452
LGA    D   171_A      D   171_A     3.637     0    0.048   0.163     4.247   45.238   44.286
LGA    K   172_A      K   172_A     3.602     0    0.038   0.806     5.320   45.000   43.069
LGA    M   173_A      M   173_A     3.248     0    0.090   0.752     4.341   45.119   48.631
LGA    K   174_A      K   174_A     4.471     0    0.210   0.240     5.243   34.524   32.222
LGA    N   175_A      N   175_A     5.468     0    0.385   1.162     8.646   31.786   25.000
LGA    G   176_A      G   176_A     5.124     0    0.617   0.617     5.504   29.048   29.048
LGA    D   177_A      D   177_A     4.530     0    0.612   1.363     9.581   27.857   17.321
LGA    E   178_A      E   178_A     9.259     0    0.085   1.403    15.210    2.143    0.952
LGA    K   179_A      K   179_A    11.545     0    0.104   0.873    15.568    0.000    0.000
LGA    W   180_A      W   180_A     9.194     0    0.237   1.075    11.430    0.833   17.585
LGA    N   181_A      N   181_A     9.218     0    0.174   0.948    12.321    2.143    1.250
LGA    S   182_A      S   182_A     9.748     0    0.097   0.119    11.977    1.548    1.032
LGA    V   183_A      V   183_A    10.084     0    0.698   1.470    13.281    0.476    0.272
LGA    L   184_A      L   184_A     7.325     0    0.618   1.352     9.768   13.571    8.869
LGA    Y   185_A      Y   185_A     1.671     0    0.383   1.664     9.897   49.762   36.151
LGA    D   186_A      D   186_A     6.299     0    0.326   1.201    10.925   25.000   13.929
LGA    Y   187_A      Y   187_A     9.836     0    0.549   1.066    18.679    0.952    0.317
LGA    K   188_A      K   188_A     9.324     0    0.254   0.268    16.607    3.571    1.640
LGA    H   189_A      H   189_A     3.769     0    0.665   1.244     6.061   29.524   41.952
LGA    M   190_A      M   190_A     7.061     0    0.350   1.320     9.366   11.190    8.333
LGA    R   191_A      R   191_A     7.964     0    0.570   1.685    14.813    8.810    4.026
LGA    Y   192_A      Y   192_A    10.552     0    0.194   1.358    18.265    0.119    0.040
LGA    I   193_A      I   193_A    13.387     0    0.107   0.132    17.729    0.000    1.429
LGA    H   194_A      H   194_A    19.589     0    0.100   1.125    26.874    0.000    0.000
LGA    G   195_A      G   195_A    18.978     0    0.638   0.638    20.812    0.000    0.000
LGA    G   196_A      G   196_A    24.736     0    0.271   0.271    26.909    0.000    0.000
LGA    Y   197_A      Y   197_A    24.469     0    0.262   0.544    26.060    0.000    0.000
LGA    S   198_A      S   198_A    23.670     0    0.625   0.795    26.317    0.000    0.000
LGA    S   199_A      S   199_A    30.527     0    0.090   0.650    33.400    0.000    0.000
LGA    W   200_A      W   200_A    31.551     0    0.109   1.192    36.401    0.000    0.000
LGA    W   201_A      W   201_A    27.069     0    0.040   1.629    29.002    0.000    0.000
LGA    L   202_A      L   202_A    30.249     0    0.046   0.058    34.060    0.000    0.000
LGA    L   203_A      L   203_A    36.495     0    0.061   0.170    40.371    0.000    0.000
LGA    E   204_A      E   204_A    34.226     0    0.141   1.257    35.445    0.000    0.000
LGA    K   205_A      K   205_A    34.108     0    0.199   0.524    37.762    0.000    0.000
LGA    I   206_A      I   206_A    40.717     0    0.046   0.250    44.540    0.000    0.000
LGA    K   207_A      K   207_A    43.198     0    0.151   0.944    45.189    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    17.635         17.613                 17.877           17.616   14.757

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     49    2.72    23.913    20.016     1.737

LGA_LOCAL      RMSD:   2.720  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.331  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  17.635  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.742944 * X  +   0.607376 * Y  +   0.281297 * Z  +  -3.612612
  Y_new =  -0.234181 * X  +  -0.629553 * Y  +   0.740825 * Z  + -21.564421
  Z_new =   0.627051 * X  +   0.484517 * Y  +   0.609959 * Z  + -25.643538 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.836243 -0.677761  0.671282   [DEG: -162.5048  -38.8329   38.4617 ]
ZXZ:  2.778701  0.914787  0.912930   [DEG:  159.2078   52.4134   52.3070 ]
 
# END of job
