
#######################################################
#                                                     #
#                        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  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       4_B - 111_B       4.97    17.15
  LCS_AVERAGE:     49.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80     103_B - 182_B       1.99    22.89
  LONGEST_CONTINUOUS_SEGMENT:    80     104_B - 183_B       1.96    22.95
  LCS_AVERAGE:     25.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71     108_B - 178_B       0.99    24.82
  LCS_AVERAGE:     21.24

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     P     4_B     P     4_B     15   18  108      6   13   14   44   64   69   73   77   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     D     5_B     D     5_B     15   18  108      6   13   27   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     F     6_B     F     6_B     15   18  108      9   39   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  116  122 
LCS_GDT     T     7_B     T     7_B     15   18  108     10   13   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  116  122 
LCS_GDT     G     8_B     G     8_B     15   18  108     10   46   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     A     9_B     A     9_B     15   18  108     13   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     R    10_B     R    10_B     15   18  108     12   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     E    11_B     E    11_B     15   18  108     22   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     R    12_B     R    12_B     15   18  108     26   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     F    13_B     F    13_B     15   18  108     26   48   56   61   66   69   73   77   83   87   88   92   96   99  105  109  113  114  119  126 
LCS_GDT     L    14_B     L    14_B     15   18  108     10   48   56   61   66   69   73   77   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     A    15_B     A    15_B     15   18  108     31   47   56   61   66   69   73   77   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     G    16_B     G    16_B     15   18  108     18   45   55   61   65   69   73   77   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     D    17_B     D    17_B     15   18  108      4    4   14   52   63   66   71   77   81   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     V    18_B     V    18_B     15   18  108      4   19   26   44   56   66   68   72   79   84   88   90   95   99  105  109  113  114  118  126 
LCS_GDT     T    19_B     T    19_B      3   18  108     15   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     I    20_B     I    20_B      3   18  108      3    3   17   49   63   68   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     V    21_B     V    21_B      3   18  108      3    3   34   42   49   63   71   75   81   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     L    22_B     L    22_B      3    4  108      3    3   14   26   39   67   73   77   83   87   88   92   95   99  105  109  113  114  116  122 
LCS_GDT     L    23_B     L    23_B      3    6  108      3    3    7   20   29   44   57   72   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     I    24_B     I    24_B      4    6  108      3    3    5   10   16   32   40   54   72   80   88   92   95   99  105  109  113  114  116  122 
LCS_GDT     A    25_B     A    25_B      4    6  108      3    3    5   24   41   55   65   75   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     E    26_B     E    26_B      4    6  108     13   22   25   28   32   36   44   57   67   76   84   92   95   99  105  109  113  114  115  116 
LCS_GDT     S    27_B     S    27_B      4    6  108      3    3    5    5    6    8   12   18   31   42   52   69   83   95  102  109  113  114  115  116 
LCS_GDT     H    28_B     H    28_B      4    6  108      3    3    5    5    7   13   23   25   32   42   49   64   71   81  105  109  113  114  115  119 
LCS_GDT     D    29_B     D    29_B      3    4  108      3    3    3    5   13   17   23   25   33   42   52   64   75   88  101  108  113  114  115  116 
LCS_GDT     A    30_B     A    30_B      3    4  108      3    3    3    4   14   20   33   39   50   62   71   84   89   98  105  109  113  114  115  116 
LCS_GDT     P    31_B     P    31_B      4    4  108      3    3    4    6   17   30   44   52   59   67   75   83   89   98  105  109  113  114  115  116 
LCS_GDT     Y    32_B     Y    32_B      4    4  108      3    7   16   27   29   37   44   52   61   71   82   90   95   99  105  109  113  114  115  116 
LCS_GDT     R    33_B     R    33_B      4    4  108      3    3    4    5    5    6    7   28   40   54   64   69   76   88   96  102  108  112  113  115 
LCS_GDT     L    34_B     L    34_B      6    8  108      3    4    6    7    7    9   21   28   40   47   51   60   74   81   88   96  102  106  113  115 
LCS_GDT     A    35_B     A    35_B      6    8  108      5    6    6    7    8    9   10   12   26   37   51   59   66   70   82   88   95  101  108  112 
LCS_GDT     N    36_B     N    36_B      6    8  108      5    6    6    7    8   30   44   52   59   67   73   81   89   98  105  109  113  114  115  116 
LCS_GDT     P    37_B     P    37_B      6    8  108      5    6    6    7   27   32   37   45   57   65   72   81   89   95  102  109  113  114  115  116 
LCS_GDT     E    38_B     E    38_B      6    8  108      5    6    6    8   25   36   46   57   66   78   88   92   95   99  105  109  113  114  115  117 
LCS_GDT     D    39_B     D    39_B      6    8  108      5    6   16   24   38   49   61   75   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     P    40_B     P    40_B      6    8  108      4    5    6    6    8    8   10   11   12   63   73   84   90   98  105  109  113  114  115  116 
LCS_GDT     E    41_B     E    41_B      6   27  108      4    6    6    7   32   49   60   74   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     A    42_B     A    42_B      6   29  108      4    5    6    6   25   37   44   54   62   76   82   92   95   99  105  109  113  114  115  116 
LCS_GDT     D    43_B     D    43_B     23   29  108     13   22   24   27   30   35   42   52   59   67   72   81   89   95  102  108  111  114  115  116 
LCS_GDT     L    44_B     L    44_B     23   29  108     16   22   25   28   31   37   44   52   60   69   75   84   89   98  105  109  113  114  115  116 
LCS_GDT     S    45_B     S    45_B     23   29  108     16   22   25   28   32   37   44   52   60   69   74   82   89   96  104  109  112  114  115  116 
LCS_GDT     D    46_B     D    46_B     23   29  108     16   22   25   28   32   37   44   52   62   69   75   84   89   98  105  109  113  114  115  116 
LCS_GDT     E    47_B     E    47_B     23   29  108     16   22   25   28   32   37   44   53   62   69   75   84   90   98  105  109  113  114  115  116 
LCS_GDT     Q    48_B     Q    48_B     23   29  108     16   22   25   28   32   37   44   53   62   69   79   85   93   98  105  109  113  114  115  116 
LCS_GDT     L    49_B     L    49_B     23   29  108     16   22   25   28   32   37   44   53   62   70   80   89   95   99  105  109  113  114  115  116 
LCS_GDT     E    50_B     E    50_B     23   29  108     16   22   25   28   32   37   45   54   62   76   84   92   95   99  105  109  113  114  115  116 
LCS_GDT     R    51_B     R    51_B     23   29  108     16   22   25   28   32   37   45   58   69   80   87   92   95   99  105  109  113  114  115  116 
LCS_GDT     A    52_B     A    52_B     23   56  108     16   22   25   28   32   37   51   63   72   84   87   92   95   99  105  109  113  114  115  116 
LCS_GDT     L    53_B     L    53_B     23   59  108     16   22   25   28   32   44   59   74   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     A    54_B     A    54_B     23   59  108     16   22   25   28   35   54   67   76   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     A    55_B     A    55_B     23   59  108     16   22   25   28   45   59   68   76   83   87   88   92   95   99  105  109  113  114  115  119 
LCS_GDT     Y    56_B     Y    56_B     48   59  108     16   21   25   44   63   69   73   77   83   87   88   92   95   99  105  109  113  114  116  120 
LCS_GDT     L    57_B     L    57_B     50   59  108     16   22   27   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  116  122 
LCS_GDT     T    58_B     T    58_B     50   59  108     16   27   54   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  116  122 
LCS_GDT     L    59_B     L    59_B     50   59  108      9   22   53   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     V    60_B     V    60_B     50   59  108     13   39   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     E    61_B     E    61_B     50   59  108     12   46   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     T    62_B     T    62_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     L    63_B     L    63_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     F    64_B     F    64_B     50   59  108     21   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     P    65_B     P    65_B     50   59  108     12   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     E    66_B     E    66_B     50   59  108     28   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     L    67_B     L    67_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     Y    68_B     Y    68_B     50   59  108     12   45   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     A    69_B     A    69_B     50   59  108     23   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     E    70_B     E    70_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     M    71_B     M    71_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     K    72_B     K    72_B     50   59  108     28   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     A    73_B     A    73_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  118  125 
LCS_GDT     A    74_B     A    74_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     L    75_B     L    75_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     A    76_B     A    76_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  117  123 
LCS_GDT     A    77_B     A    77_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  118  125 
LCS_GDT     A    78_B     A    78_B     50   59  108     18   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     K    79_B     K    79_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  118  125 
LCS_GDT     T    80_B     T    80_B     50   59  108     30   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     P    81_B     P    81_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     E    82_B     E    82_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     E    83_B     E    83_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     K    84_B     K    84_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     I    85_B     I    85_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     A    86_B     A    86_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     V    87_B     V    87_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     F    88_B     F    88_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     R    89_B     R    89_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     E    90_B     E    90_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     Y    91_B     Y    91_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     N    92_B     N    92_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     A    93_B     A    93_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     R    94_B     R    94_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     F    95_B     F    95_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   95   99  105  109  113  114  119  126 
LCS_GDT     L    96_B     L    96_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   96   99  105  109  113  114  119  126 
LCS_GDT     A    97_B     A    97_B     50   59  108     31   48   56   61   66   69   73   77   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     E    98_B     E    98_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   96   99  105  109  113  114  119  126 
LCS_GDT     F    99_B     F    99_B     50   59  108     31   48   56   61   66   69   73   77   83   87   88   92   96   99  105  109  113  114  119  126 
LCS_GDT     D   100_B     D   100_B     50   59  108     23   48   56   61   66   69   73   77   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     A   101_B     A   101_B     50   59  108      8   48   56   61   66   69   73   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     L   102_B     L   102_B     50   59  108     22   48   56   61   66   69   73   77   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     I   103_B     I   103_B     50   80  108     18   48   56   61   66   69   73   77   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     D   104_B     D   104_B     50   80  108      7   45   56   61   66   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     Q   105_B     Q   105_B     50   80  108      9   46   56   61   66   69   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     A   106_B     A   106_B     50   80  108     10   45   56   61   66   69   75   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     F   107_B     F   107_B     50   80  108      7   26   52   61   71   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     A   108_B     A   108_B     71   80  108      7   22   61   69   71   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     R   109_B     R   109_B     71   80  108      7   35   53   61   66   73   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     L   110_B     L   110_B     71   80  108      7   20   64   69   71   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     K   111_B     K   111_B     71   80  108     13   30   53   69   71   73   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     A   112_B     A   112_B     71   80  102      3    6   66   69   71   74   77   79   82   87   90   92   96   98  103  107  113  114  119  126 
LCS_GDT     D   113_B     D   113_B     71   80  102      3   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     S   114_B     S   114_B     71   80  102      5   16   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     L   115_B     L   115_B     71   80  102      7   40   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     T   116_B     T   116_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     L   117_B     L   117_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     K   118_B     K   118_B     71   80  102     11   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     I   119_B     I   119_B     71   80  102     11   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     H   120_B     H   120_B     71   80  102     20   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  119  126 
LCS_GDT     L   121_B     L   121_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  118  126 
LCS_GDT     S   122_B     S   122_B     71   80  102     23   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  118  125 
LCS_GDT     Q   123_B     Q   123_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  118  123 
LCS_GDT     G   124_B     G   124_B     71   80  102      7   24   64   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     K   125_B     K   125_B     71   80  102      9   37   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     G   126_B     G   126_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     S   127_B     S   127_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     Y   128_B     Y   128_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     E   129_B     E   129_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     I   130_B     I   130_B     71   80  102     29   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     I   131_B     I   131_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     F   132_B     F   132_B     71   80  102     20   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     P   133_B     P   133_B     71   80  102      8   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     P   134_B     P   134_B     71   80  102      8   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     E   135_B     E   135_B     71   80  102     28   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     V   136_B     V   136_B     71   80  102     23   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     Q   137_B     Q   137_B     71   80  102     10   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     A   138_B     A   138_B     71   80  102     28   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     D   139_B     D   139_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     P   140_B     P   140_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     E   141_B     E   141_B     71   80  102     27   58   66   69   71   74   77   79   82   87   90   92   96   99  104  107  113  114  119  126 
LCS_GDT     R   142_B     R   142_B     71   80  102     30   58   66   69   71   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     A   143_B     A   143_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   99  104  107  113  114  119  126 
LCS_GDT     A   144_B     A   144_B     71   80  102     30   58   66   69   71   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     A   145_B     A   145_B     71   80  102     30   58   66   69   71   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     I   146_B     I   146_B     71   80  102     13   58   66   69   71   74   77   79   83   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     E   147_B     E   147_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   99  104  107  113  114  119  126 
LCS_GDT     A   148_B     A   148_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   99  105  109  113  114  119  126 
LCS_GDT     L   149_B     L   149_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  105  109  113  114  119  126 
LCS_GDT     W   150_B     W   150_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     K   151_B     K   151_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     P   152_B     P   152_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     T   153_B     T   153_B     71   80  102     28   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  119  126 
LCS_GDT     L   154_B     L   154_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     D   155_B     D   155_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     Q   156_B     Q   156_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  119  126 
LCS_GDT     L   157_B     L   157_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  119  126 
LCS_GDT     L   158_B     L   158_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     A   159_B     A   159_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  119  126 
LCS_GDT     V   160_B     V   160_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  123 
LCS_GDT     L   161_B     L   161_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  123 
LCS_GDT     Q   162_B     Q   162_B     71   80  102     29   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  118  125 
LCS_GDT     E   163_B     E   163_B     71   80  102     28   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  122 
LCS_GDT     K   164_B     K   164_B     71   80  102     28   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  106  111  115  119 
LCS_GDT     H   165_B     H   165_B     71   80  102     23   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  121 
LCS_GDT     K   166_B     K   166_B     71   80  102     11   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  121 
LCS_GDT     G   167_B     G   167_B     71   80  102     29   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  121 
LCS_GDT     K   168_B     K   168_B     71   80  102     30   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  121 
LCS_GDT     P   169_B     P   169_B     71   80  102     20   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  121 
LCS_GDT     A   170_B     A   170_B     71   80  102     20   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  122 
LCS_GDT     T   171_B     T   171_B     71   80  102     19   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  121 
LCS_GDT     T   172_B     T   172_B     71   80  102      9   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  123 
LCS_GDT     V   173_B     V   173_B     71   80  102      9   35   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  116  123 
LCS_GDT     T   174_B     T   174_B     71   80  102      9   56   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  118  125 
LCS_GDT     Y   175_B     Y   175_B     71   80  102     13   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  107  114  119  126 
LCS_GDT     E   176_B     E   176_B     71   80  102     24   58   66   69   71   74   77   79   82   87   90   92   96   98  100  103  109  114  119  126 
LCS_GDT     I   177_B     I   177_B     71   80  102     12   26   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     S   178_B     S   178_B     71   80  102     14   26   66   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     A   179_B     A   179_B     70   80  102     12   25   39   69   71   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     E   180_B     E   180_B     68   80  102     14   26   36   51   70   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     T   181_B     T   181_B     29   80  102     14   26   30   42   60   74   77   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     L   182_B     L   182_B     29   80  102     14   26   30   31   43   64   75   79   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     R   183_B     R   183_B     29   80  102     15   26   30   31   34   44   57   74   82   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     A   184_B     A   184_B     29   77  102     16   26   30   31   34   38   49   67   80   87   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     A   185_B     A   185_B     29   36  102     15   26   30   31   34   37   42   58   73   86   90   92   96   98  100  104  109  114  119  126 
LCS_GDT     V   186_B     V   186_B     29   36  102     16   26   30   31   34   37   40   44   52   64   81   92   96   98  100  103  109  114  119  126 
LCS_GDT     A   187_B     A   187_B     29   36  102     16   26   30   31   34   37   40   44   50   64   80   91   96   98  100  104  109  114  119  126 
LCS_GDT     A   188_B     A   188_B     29   36  102     16   26   30   31   34   37   40   44   47   62   78   87   95   98  100  104  109  114  119  126 
LCS_GDT     L   189_B     L   189_B     29   36  102     16   26   30   31   34   37   40   44   47   51   62   76   86   96  100  103  107  114  119  126 
LCS_GDT     A   190_B     A   190_B     29   36  102     16   26   30   31   34   37   40   44   47   51   57   71   84   89  100  102  107  114  118  126 
LCS_GDT     R   191_B     R   191_B     29   36  102     16   26   30   31   34   37   40   44   47   51   57   71   84   89   97  102  107  114  118  126 
LCS_GDT     A   192_B     A   192_B     29   36  102     16   26   30   31   34   37   40   44   47   51   57   67   79   87   93  102  107  111  118  123 
LCS_GDT     A   193_B     A   193_B     29   36  102     16   26   30   31   34   37   40   44   47   51   57   65   74   85   91   96  106  111  114  122 
LCS_GDT     E   194_B     E   194_B     29   36  102     16   26   30   31   34   37   40   44   47   51   57   65   74   85   91   95  106  111  114  122 
LCS_GDT     A   195_B     A   195_B     29   36  100     16   26   30   31   34   37   40   44   47   51   57   65   74   85   91   95  103  109  114  121 
LCS_GDT     A   196_B     A   196_B     29   36   56     16   26   30   31   34   37   40   44   47   51   57   65   74   82   89   94   99  107  113  121 
LCS_GDT     L   197_B     L   197_B     29   36   56     16   26   30   31   34   37   40   44   47   51   57   65   74   78   88   94   98  105  113  121 
LCS_GDT     R   198_B     R   198_B     29   36   56     13   26   30   31   34   37   40   44   47   51   57   65   74   78   88   94   98  105  113  121 
LCS_GDT     R   199_B     R   199_B     29   36   56     16   26   30   31   34   37   40   44   47   51   57   65   74   78   87   94   98  103  111  121 
LCS_GDT     K   200_B     K   200_B     29   36   56     16   26   30   31   34   37   40   44   47   51   56   65   74   78   83   93   98  102  111  121 
LCS_GDT     V   201_B     V   201_B     29   36   56     16   26   30   31   34   37   40   44   47   51   55   65   74   78   83   93   98  102  111  121 
LCS_GDT     G   202_B     G   202_B     29   36   56     16   26   30   31   34   37   40   44   47   51   55   65   74   78   83   93   98  102  111  121 
LCS_GDT     S   203_B     S   203_B     29   36   56      6   26   30   31   34   37   40   44   46   51   55   65   74   78   83   89   95  101  105  117 
LCS_GDT     L   204_B     L   204_B      3   36   56      3    4    4    8   12   31   37   40   44   46   50   54   62   75   82   85   89   97  103  109 
LCS_GDT     E   205_B     E   205_B      4   32   56      3    4    6    6    7    8    9   27   32   38   50   54   70   75   83   89   96  104  114  121 
LCS_GDT     S   206_B     S   206_B      4   31   56      3    4    6    6   10   12   14   18   32   38   55   65   72   78   83   89   94  101  105  120 
LCS_GDT     S   207_B     S   207_B      4    6   56      3    4    6    6   10   20   33   39   43   51   55   65   74   78   83   89   96  101  111  121 
LCS_GDT     G   208_B     G   208_B      4    6   56      3    4    6    6    8    9   15   19   33   40   46   51   56   62   78   85   95  101  111  121 
LCS_GDT     L   209_B     L   209_B      3    6   56      0    3    4    6   14   25   30   37   43   51   56   65   74   78   83   89   98  103  112  121 
LCS_GDT     E   210_B     E   210_B      3    6   55      0    3    3    4    8    9   15   19   33   38   46   50   56   62   66   71   77   96  110  118 
LCS_AVERAGE  LCS_A:  32.13  (  21.24   25.97   49.17 )

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     31     58     66     69     71     74     77     79     83     87     90     92     96     99    105    109    113    114    119    126 
GDT PERCENT_AT  14.98  28.02  31.88  33.33  34.30  35.75  37.20  38.16  40.10  42.03  43.48  44.44  46.38  47.83  50.72  52.66  54.59  55.07  57.49  60.87
GDT RMS_LOCAL    0.34   0.59   0.73   0.81   0.91   1.38   1.60   1.80   2.45   2.56   3.12   3.22   3.80   3.63   4.29   4.57   4.72   4.78   6.22   6.56
GDT RMS_ALL_AT  15.66  24.91  24.96  24.98  24.84  23.81  23.59  23.24  15.28  15.22  20.38  15.75  18.94  15.61  16.38  16.47  16.00  16.11  12.01  12.01

# Checking swapping
#   possible swapping detected:  F    13_B      F    13_B
#   possible swapping detected:  D    29_B      D    29_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  E    66_B      E    66_B
#   possible swapping detected:  Y    68_B      Y    68_B
#   possible swapping detected:  F    88_B      F    88_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  F    95_B      F    95_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  F    99_B      F    99_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  E   129_B      E   129_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  E   147_B      E   147_B
#   possible swapping detected:  Y   175_B      Y   175_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    31.501     0    0.064   0.116    33.498    0.000    0.000
LGA    D     5_B      D     5_B    29.249     3    0.110   0.116    29.918    0.000    0.000
LGA    F     6_B      F     6_B    25.200     0    0.010   0.200    27.880    0.000    0.000
LGA    T     7_B      T     7_B    25.015     0    0.040   0.890    28.369    0.000    0.000
LGA    G     8_B      G     8_B    20.672     0    0.051   0.051    22.404    0.000    0.000
LGA    A     9_B      A     9_B    18.793     0    0.015   0.018    19.871    0.000    0.000
LGA    R    10_B      R    10_B    16.265     6    0.028   0.034    17.454    0.000    0.000
LGA    E    11_B      E    11_B    14.910     0    0.021   0.936    20.508    0.000    0.000
LGA    R    12_B      R    12_B    13.603     0    0.045   1.654    19.531    0.000    0.000
LGA    F    13_B      F    13_B    12.017     0    0.016   0.094    12.878    0.119    0.043
LGA    L    14_B      L    14_B     9.876     3    0.190   0.199    10.784    1.190    0.595
LGA    A    15_B      A    15_B     8.615     0    0.013   0.023     9.531    6.190    5.048
LGA    G    16_B      G    16_B     7.709     0    0.047   0.047     9.828    4.048    4.048
LGA    D    17_B      D    17_B    12.543     0    0.400   1.006    16.507    0.000    0.000
LGA    V    18_B      V    18_B    15.251     0    0.614   1.082    19.096    0.000    0.000
LGA    T    19_B      T    19_B    14.372     0    0.614   1.033    16.724    0.000    0.000
LGA    I    20_B      I    20_B    14.645     0    0.554   0.924    15.554    0.000    0.000
LGA    V    21_B      V    21_B    16.336     0    0.588   0.730    20.103    0.000    0.000
LGA    L    22_B      L    22_B    21.232     0    0.583   0.773    22.803    0.000    0.000
LGA    L    23_B      L    23_B    23.578     0    0.540   1.401    26.164    0.000    0.000
LGA    I    24_B      I    24_B    23.076     0    0.605   0.688    24.369    0.000    0.000
LGA    A    25_B      A    25_B    27.650     0    0.258   0.273    30.264    0.000    0.000
LGA    E    26_B      E    26_B    32.725     0    0.140   1.116    38.913    0.000    0.000
LGA    S    27_B      S    27_B    31.105     0    0.403   0.474    31.105    0.000    0.000
LGA    H    28_B      H    28_B    28.734     0    0.083   1.204    30.255    0.000    0.000
LGA    D    29_B      D    29_B    33.839     0    0.503   0.785    36.494    0.000    0.000
LGA    A    30_B      A    30_B    35.650     0    0.557   0.601    36.590    0.000    0.000
LGA    P    31_B      P    31_B    36.357     0    0.638   0.721    37.448    0.000    0.000
LGA    Y    32_B      Y    32_B    31.920     0    0.222   1.247    33.686    0.000    0.000
LGA    R    33_B      R    33_B    37.477     0    0.561   0.758    42.913    0.000    0.000
LGA    L    34_B      L    34_B    40.560     0    0.609   0.669    42.373    0.000    0.000
LGA    A    35_B      A    35_B    40.158     0    0.133   0.138    40.536    0.000    0.000
LGA    N    36_B      N    36_B    36.840     3    0.068   0.085    38.237    0.000    0.000
LGA    P    37_B      P    37_B    35.230     0    0.277   0.351    35.634    0.000    0.000
LGA    E    38_B      E    38_B    32.855     4    0.088   0.091    33.661    0.000    0.000
LGA    D    39_B      D    39_B    35.668     0    0.218   0.462    38.962    0.000    0.000
LGA    P    40_B      P    40_B    37.228     0    0.140   0.413    40.312    0.000    0.000
LGA    E    41_B      E    41_B    39.018     0    0.226   0.790    42.452    0.000    0.000
LGA    A    42_B      A    42_B    43.727     0    0.116   0.114    47.689    0.000    0.000
LGA    D    43_B      D    43_B    48.051     0    0.480   1.333    52.540    0.000    0.000
LGA    L    44_B      L    44_B    47.123     0    0.026   0.095    48.843    0.000    0.000
LGA    S    45_B      S    45_B    50.939     0    0.067   0.120    52.148    0.000    0.000
LGA    D    46_B      D    46_B    50.476     0    0.040   0.472    52.876    0.000    0.000
LGA    E    47_B      E    47_B    49.584     0    0.102   0.213    54.629    0.000    0.000
LGA    Q    48_B      Q    48_B    45.483     0    0.029   0.286    48.614    0.000    0.000
LGA    L    49_B      L    49_B    43.180     0    0.058   1.378    45.073    0.000    0.000
LGA    E    50_B      E    50_B    43.681     4    0.037   0.037    45.645    0.000    0.000
LGA    R    51_B      R    51_B    41.141     0    0.018   0.746    48.851    0.000    0.000
LGA    A    52_B      A    52_B    36.696     0    0.024   0.037    38.751    0.000    0.000
LGA    L    53_B      L    53_B    36.274     0    0.016   1.395    38.027    0.000    0.000
LGA    A    54_B      A    54_B    36.638     0    0.040   0.039    38.365    0.000    0.000
LGA    A    55_B      A    55_B    32.227     0    0.029   0.040    34.145    0.000    0.000
LGA    Y    56_B      Y    56_B    29.085     0    0.019   1.398    30.637    0.000    0.000
LGA    L    57_B      L    57_B    30.603     0    0.037   0.500    35.078    0.000    0.000
LGA    T    58_B      T    58_B    29.059     0    0.047   0.178    31.210    0.000    0.000
LGA    L    59_B      L    59_B    24.306     0    0.048   0.897    26.261    0.000    0.000
LGA    V    60_B      V    60_B    24.053     0    0.048   1.078    26.179    0.000    0.000
LGA    E    61_B      E    61_B    26.465     0    0.015   0.893    32.317    0.000    0.000
LGA    T    62_B      T    62_B    22.942     0    0.009   0.230    24.253    0.000    0.000
LGA    L    63_B      L    63_B    19.105     0    0.080   0.376    20.784    0.000    0.000
LGA    F    64_B      F    64_B    20.969     0    0.044   0.119    23.394    0.000    0.000
LGA    P    65_B      P    65_B    24.973     0    0.014   0.311    26.643    0.000    0.000
LGA    E    66_B      E    66_B    24.727     0    0.053   1.013    25.455    0.000    0.000
LGA    L    67_B      L    67_B    22.879     0    0.051   0.213    24.865    0.000    0.000
LGA    Y    68_B      Y    68_B    26.690     0    0.048   0.104    34.634    0.000    0.000
LGA    A    69_B      A    69_B    29.522     0    0.013   0.019    30.703    0.000    0.000
LGA    E    70_B      E    70_B    27.655     0    0.029   0.522    28.842    0.000    0.000
LGA    M    71_B      M    71_B    27.882     0    0.034   0.717    30.356    0.000    0.000
LGA    K    72_B      K    72_B    32.084     0    0.020   0.364    36.740    0.000    0.000
LGA    A    73_B      A    73_B    33.124     0    0.051   0.054    34.231    0.000    0.000
LGA    A    74_B      A    74_B    31.210     0    0.045   0.055    32.924    0.000    0.000
LGA    L    75_B      L    75_B    33.351     0    0.015   0.288    36.049    0.000    0.000
LGA    A    76_B      A    76_B    37.182     0    0.097   0.099    39.153    0.000    0.000
LGA    A    77_B      A    77_B    36.361     0    0.081   0.082    37.277    0.000    0.000
LGA    A    78_B      A    78_B    35.632     0    0.137   0.166    37.748    0.000    0.000
LGA    K    79_B      K    79_B    39.882     0    0.097   1.379    45.826    0.000    0.000
LGA    T    80_B      T    80_B    39.176     0    0.058   1.021    41.073    0.000    0.000
LGA    P    81_B      P    81_B    37.938     0    0.078   0.075    40.337    0.000    0.000
LGA    E    82_B      E    82_B    35.245     4    0.016   0.038    36.588    0.000    0.000
LGA    E    83_B      E    83_B    33.733     4    0.028   0.027    34.640    0.000    0.000
LGA    K    84_B      K    84_B    33.545     0    0.016   0.383    38.601    0.000    0.000
LGA    I    85_B      I    85_B    31.565     0    0.040   1.069    34.467    0.000    0.000
LGA    A    86_B      A    86_B    29.003     0    0.054   0.061    30.229    0.000    0.000
LGA    V    87_B      V    87_B    28.375     0    0.029   0.096    30.185    0.000    0.000
LGA    F    88_B      F    88_B    27.540     0    0.024   0.067    28.656    0.000    0.000
LGA    R    89_B      R    89_B    24.981     0    0.030   0.936    29.742    0.000    0.000
LGA    E    90_B      E    90_B    22.830     0    0.043   0.095    24.975    0.000    0.000
LGA    Y    91_B      Y    91_B    22.706     0    0.046   0.161    25.892    0.000    0.000
LGA    N    92_B      N    92_B    21.890     0    0.022   0.897    23.019    0.000    0.000
LGA    A    93_B      A    93_B    18.310     0    0.046   0.057    19.790    0.000    0.000
LGA    R    94_B      R    94_B    17.322     0    0.029   0.742    21.948    0.000    0.000
LGA    F    95_B      F    95_B    18.194     0    0.024   1.238    19.721    0.000    0.000
LGA    L    96_B      L    96_B    15.929     0    0.027   0.431    18.763    0.000    0.000
LGA    A    97_B      A    97_B    12.403     0    0.031   0.034    13.859    0.000    0.000
LGA    E    98_B      E    98_B    13.011     0    0.031   0.439    15.899    0.000    0.000
LGA    F    99_B      F    99_B    13.012     0    0.051   0.198    14.844    0.000    0.000
LGA    D   100_B      D   100_B     9.561     0    0.010   0.387    11.489    3.810    2.083
LGA    A   101_B      A   101_B     7.398     0    0.082   0.083     8.211    7.976    7.810
LGA    L   102_B      L   102_B     9.295     0    0.037   0.639    12.423    4.048    2.024
LGA    I   103_B      I   103_B     7.950     0    0.031   0.768    10.367   12.143    7.024
LGA    D   104_B      D   104_B     4.294     0    0.027   0.271     5.741   39.762   37.798
LGA    Q   105_B      Q   105_B     5.107     0    0.052   1.248     8.853   28.810   16.561
LGA    A   106_B      A   106_B     5.506     0    0.016   0.029     6.592   30.833   27.333
LGA    F   107_B      F   107_B     2.767     0    0.072   0.561     6.862   65.952   40.476
LGA    A   108_B      A   108_B     1.796     0    0.051   0.048     3.237   63.214   63.524
LGA    R   109_B      R   109_B     4.082     0    0.016   0.933     9.585   45.119   22.121
LGA    L   110_B      L   110_B     1.585     3    0.036   0.042     2.355   68.810   44.583
LGA    K   111_B      K   111_B     3.079     2    0.143   0.494     6.560   57.262   33.968
LGA    A   112_B      A   112_B     2.087     0    0.072   0.077     2.126   68.810   68.000
LGA    D   113_B      D   113_B     1.847     0    0.025   0.470     2.158   72.857   70.833
LGA    S   114_B      S   114_B     1.611     0    0.020   0.173     2.215   77.143   73.016
LGA    L   115_B      L   115_B     1.327     0    0.180   0.518     2.163   79.286   78.333
LGA    T   116_B      T   116_B     0.219     0    0.074   0.092     0.916  100.000   97.279
LGA    L   117_B      L   117_B     0.599     0    0.026   0.083     1.285   90.595   89.405
LGA    K   118_B      K   118_B     1.052     0    0.017   0.349     2.790   88.214   79.894
LGA    I   119_B      I   119_B     1.024     0    0.073   0.510     2.499   85.952   82.738
LGA    H   120_B      H   120_B     0.808     0    0.029   0.064     1.509   90.476   85.095
LGA    L   121_B      L   121_B     0.511     0    0.069   0.215     0.773   92.857   92.857
LGA    S   122_B      S   122_B     0.797     0    0.099   0.131     1.282   88.214   88.968
LGA    Q   123_B      Q   123_B     0.249     4    0.575   0.551     2.409   91.190   51.640
LGA    G   124_B      G   124_B     1.780     0    0.668   0.668     2.786   71.071   71.071
LGA    K   125_B      K   125_B     1.288     4    0.131   0.183     2.799   79.286   41.587
LGA    G   126_B      G   126_B     0.662     0    0.131   0.131     1.005   88.214   88.214
LGA    S   127_B      S   127_B     0.471     0    0.020   0.144     1.060   97.619   93.730
LGA    Y   128_B      Y   128_B     0.529     0    0.005   0.213     2.461   92.857   80.317
LGA    E   129_B      E   129_B     0.358     0    0.081   0.541     2.494  100.000   88.836
LGA    I   130_B      I   130_B     0.418     0    0.058   0.138     0.646   97.619   96.429
LGA    I   131_B      I   131_B     0.445     0    0.064   0.134     1.017  100.000   94.107
LGA    F   132_B      F   132_B     0.795     0    0.039   0.219     1.470   90.476   87.186
LGA    P   133_B      P   133_B     0.977     0    0.027   0.111     1.020   90.476   89.184
LGA    P   134_B      P   134_B     0.938     0    0.031   0.040     1.037   90.476   87.891
LGA    E   135_B      E   135_B     0.630     4    0.056   0.062     1.071   88.214   49.259
LGA    V   136_B      V   136_B     0.969     0    0.120   0.277     1.189   85.952   86.599
LGA    Q   137_B      Q   137_B     1.174     4    0.087   0.099     1.313   85.952   47.249
LGA    A   138_B      A   138_B     0.834     0    0.088   0.102     1.064   90.476   88.667
LGA    D   139_B      D   139_B     0.691     0    0.077   0.218     1.275   90.476   89.345
LGA    P   140_B      P   140_B     0.718     0    0.034   0.174     0.837   90.476   90.476
LGA    E   141_B      E   141_B     0.896     0    0.014   0.719     2.790   90.476   79.206
LGA    R   142_B      R   142_B     0.566     0    0.064   1.006     3.852   88.214   78.268
LGA    A   143_B      A   143_B     0.728     0    0.021   0.018     0.994   90.476   90.476
LGA    A   144_B      A   144_B     0.932     0    0.013   0.019     1.006   88.214   88.667
LGA    A   145_B      A   145_B     0.910     0    0.011   0.024     1.110   85.952   86.857
LGA    I   146_B      I   146_B     1.021     0    0.020   0.300     2.028   83.690   80.536
LGA    E   147_B      E   147_B     1.105     0    0.019   0.797     2.183   81.429   79.630
LGA    A   148_B      A   148_B     1.170     0    0.020   0.026     1.202   81.429   81.429
LGA    L   149_B      L   149_B     1.246     0    0.026   0.260     1.924   81.429   79.286
LGA    W   150_B      W   150_B     1.056     0    0.036   1.041     6.074   81.429   62.347
LGA    K   151_B      K   151_B     1.082     4    0.012   0.027     1.123   81.429   45.238
LGA    P   152_B      P   152_B     1.228     0    0.029   0.196     1.308   81.429   84.014
LGA    T   153_B      T   153_B     1.356     0    0.012   1.115     3.814   81.429   74.762
LGA    L   154_B      L   154_B     1.081     0    0.033   0.388     1.405   85.952   84.821
LGA    D   155_B      D   155_B     0.687     0    0.009   0.090     0.982   92.857   92.857
LGA    Q   156_B      Q   156_B     0.944     0    0.032   1.022     4.078   90.476   77.989
LGA    L   157_B      L   157_B     1.046     0    0.020   0.115     1.272   85.952   83.690
LGA    L   158_B      L   158_B     0.643     0    0.032   1.024     2.269   92.857   85.238
LGA    A   159_B      A   159_B     0.460     0    0.013   0.023     0.561   97.619   96.190
LGA    V   160_B      V   160_B     0.659     0    0.036   0.196     1.045   90.476   89.184
LGA    L   161_B      L   161_B     0.527     0    0.029   0.247     0.967   92.857   94.048
LGA    Q   162_B      Q   162_B     0.256     0    0.037   0.788     4.323  100.000   81.640
LGA    E   163_B      E   163_B     0.320     3    0.111   0.177     1.018   92.976   62.487
LGA    K   164_B      K   164_B     0.746     4    0.060   0.059     0.871   90.476   50.265
LGA    H   165_B      H   165_B     0.834     0    0.192   1.048     3.411   90.476   80.571
LGA    K   166_B      K   166_B     0.987     2    0.018   0.345     1.631   88.214   65.397
LGA    G   167_B      G   167_B     0.494     0    0.153   0.153     0.747   92.857   92.857
LGA    K   168_B      K   168_B     0.469     0    0.046   0.658     3.701   95.238   86.508
LGA    P   169_B      P   169_B     1.057     0    0.019   0.308     1.182   83.690   85.374
LGA    A   170_B      A   170_B     1.051     0    0.118   0.157     1.414   81.429   81.429
LGA    T   171_B      T   171_B     1.453     0    0.037   0.752     2.953   81.429   75.510
LGA    T   172_B      T   172_B     1.682     0    0.076   0.253     2.196   70.833   72.925
LGA    V   173_B      V   173_B     2.088     0    0.023   0.095     2.790   72.976   67.279
LGA    T   174_B      T   174_B     1.784     0    0.030   0.076     2.140   68.810   71.769
LGA    Y   175_B      Y   175_B     1.798     0    0.057   0.202     3.789   77.143   62.778
LGA    E   176_B      E   176_B     0.963     0    0.030   0.523     1.857   81.548   78.677
LGA    I   177_B      I   177_B     1.639     0    0.017   0.176     2.141   75.000   73.988
LGA    S   178_B      S   178_B     2.133     0    0.130   0.197     3.362   73.095   65.397
LGA    A   179_B      A   179_B     2.203     0    0.105   0.103     3.527   59.524   59.048
LGA    E   180_B      E   180_B     3.757     0    0.011   0.800     7.791   41.667   29.206
LGA    T   181_B      T   181_B     4.554     0    0.015   1.158     6.521   31.905   33.469
LGA    L   182_B      L   182_B     4.931     0    0.063   1.323     7.362   25.476   27.381
LGA    R   183_B      R   183_B     7.336     0    0.019   0.586     9.642    8.095   19.134
LGA    A   184_B      A   184_B     9.157     0    0.017   0.024    11.090    2.262    2.381
LGA    A   185_B      A   185_B     9.494     0    0.024   0.030    11.829    1.071    1.810
LGA    V   186_B      V   186_B    11.673     0    0.044   0.080    13.985    0.000    0.000
LGA    A   187_B      A   187_B    13.659     0    0.020   0.019    15.643    0.000    0.000
LGA    A   188_B      A   188_B    14.649     0    0.049   0.050    16.519    0.000    0.000
LGA    L   189_B      L   189_B    15.710     0    0.086   0.436    18.003    0.000    0.000
LGA    A   190_B      A   190_B    18.040     0    0.028   0.039    20.275    0.000    0.000
LGA    R   191_B      R   191_B    19.672     0    0.094   0.304    21.119    0.000    0.000
LGA    A   192_B      A   192_B    20.088     0    0.026   0.027    21.871    0.000    0.000
LGA    A   193_B      A   193_B    21.570     0    0.040   0.042    23.772    0.000    0.000
LGA    E   194_B      E   194_B    23.645     0    0.091   0.952    25.741    0.000    0.000
LGA    A   195_B      A   195_B    24.691     0    0.087   0.087    26.253    0.000    0.000
LGA    A   196_B      A   196_B    25.339     0    0.034   0.034    27.774    0.000    0.000
LGA    L   197_B      L   197_B    27.656     0    0.062   0.412    29.761    0.000    0.000
LGA    R   198_B      R   198_B    29.232     0    0.017   1.486    31.222    0.000    0.000
LGA    R   199_B      R   199_B    30.362     0    0.054   0.814    32.196    0.000    0.000
LGA    K   200_B      K   200_B    31.660     0    0.072   0.442    34.410    0.000    0.000
LGA    V   201_B      V   201_B    33.938     0    0.040   1.283    36.311    0.000    0.000
LGA    G   202_B      G   202_B    35.710     0    0.060   0.060    38.041    0.000    0.000
LGA    S   203_B      S   203_B    37.945     1    0.707   0.673    39.493    0.000    0.000
LGA    L   204_B      L   204_B    40.490     3    0.129   0.128    41.696    0.000    0.000
LGA    E   205_B      E   205_B    38.064     4    0.129   0.125    38.900    0.000    0.000
LGA    S   206_B      S   206_B    41.004     1    0.085   0.091    42.012    0.000    0.000
LGA    S   207_B      S   207_B    39.416     0    0.126   0.160    39.719    0.000    0.000
LGA    G   208_B      G   208_B    37.674     0    0.074   0.074    38.328    0.000    0.000
LGA    L   209_B      L   209_B    33.761     3    0.567   0.522    34.941    0.000    0.000
LGA    E   210_B      E   210_B    34.745     4    0.080   0.097    35.412    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    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    11.181         11.149                 11.296           30.951   27.948

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     79    1.80    38.043    35.227     4.158

LGA_LOCAL      RMSD:   1.800  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.236  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  11.181  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.924322 * X  +   0.380747 * Y  +   0.025697 * Z  + -17.345303
  Y_new =  -0.226804 * X  +   0.493950 * Y  +   0.839388 * Z  +  -8.976604
  Z_new =   0.306901 * X  +  -0.781694 * Y  +   0.542924 * Z  +  -1.282396 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.240620 -0.311935 -0.963738   [DEG:  -13.7865  -17.8726  -55.2181 ]
ZXZ:  3.110988  0.996881  2.767473   [DEG:  178.2465   57.1171  158.5645 ]
 
# END of job
