
#######################################################
#                                                     #
#                        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  220 ( 1736),  selected  218 , name one
# Molecule2: number of CA atoms  223 ( 1763),  selected  218 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113     108_A - 220_A       4.77    16.80
  LCS_AVERAGE:     46.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108     113_A - 220_A       1.96    21.47
  LCS_AVERAGE:     31.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105     115_A - 219_A       0.97    22.71
  LONGEST_CONTINUOUS_SEGMENT:   105     116_A - 220_A       0.71    22.99
  LCS_AVERAGE:     25.29

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  218
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     E     3_A     E     3_A      4    5   19      0    4    4    4    7    7    9   11   12   16   18   25   32   41   51   59   64   70   76   80 
LCS_GDT     N     4_A     N     4_A      4    9   19      3    4    4    4    5    7   10   11   13   21   34   38   43   48   53   63   68   76   88   99 
LCS_GDT     N     5_A     N     5_A      8    9   19      5    7    8    8   11   14   18   21   29   37   40   45   52   61   74   80   86   97   98  105 
LCS_GDT     Q     6_A     Q     6_A      8    9   19      5    7    8    8   11   14   18   25   29   37   42   47   60   73   79   87   93   97  101  106 
LCS_GDT     S     7_A     S     7_A      8    9   19      5    7    8    8    8   12   18   21   29   33   36   45   52   59   75   80   86   97  100  106 
LCS_GDT     P     8_A     P     8_A      8    9   19      5    7    8    8    8    8   18   22   29   33   36   50   60   72   81   86   94   98  104  111 
LCS_GDT     Y     9_A     Y     9_A      8    9   19      3    7    8    8    8   14   18   27   34   48   65   74   77   87   92  102  113  120  127  133 
LCS_GDT     F    10_A     F    10_A      8    9   19      3    7    8    8    8    8   15   22   29   40   54   69   76   90   96  102  113  121  128  137 
LCS_GDT     T    11_A     T    11_A      8    9   19      5    7    8    8    8   11   17   20   29   36   48   52   71   76   89   97  105  114  119  129 
LCS_GDT     M    12_A     M    12_A      8    9   19      3    7    8    8    8   11   17   22   29   36   48   60   71   76   83   90  100  106  114  123 
LCS_GDT     P    13_A     P    13_A      4    6   19      3    4    5    5    7    8    9   11   12   14   22   26   52   58   74   76   80   95   99  102 
LCS_GDT     S    14_A     S    14_A      5    6   19      4    4    5    6    7    8    9   21   29   38   41   51   54   64   74   79   88   96   99  106 
LCS_GDT     Y    15_A     Y    15_A      5    6   19      4    4    5    6    7    8    8   20   29   33   40   51   54   61   74   79   88   96   99  106 
LCS_GDT     Q    16_A     Q    16_A      5    6  105      4    4    5    6    7    8   17   22   29   33   40   51   54   61   74   79   88   96   99  106 
LCS_GDT     G    17_A     G    17_A      5    6  106      4    4    5    6    7    8    8    9   22   33   36   51   54   59   74   77   88   96   99  106 
LCS_GDT     Y    18_A     Y    18_A      5    6  106      3    4    5    6    7    8    9   17   28   33   39   51   54   61   84   88   92  110  111  120 
LCS_GDT     I    19_A     I    19_A      4    6  106      3    4    4    7   31   37   41   47   54   58   66   71  108  109  112  114  123  126  132  139 
LCS_GDT     L    20_A     L    20_A      4    7  106      4    4    4   11   17   22   31   37   47   58   66   72   78   83   88   95  115  117  130  139 
LCS_GDT     E    21_A     E    21_A      4    7  106      4    4    4    7   10   15   21   28   37   43   56   64   77   82   87   97  107  112  116  120 
LCS_GDT     S    22_A     S    22_A      4    7  106      4    4    6   12   20   35   41   53   65   72   83   95  104  114  118  128  137  145  153  160 
LCS_GDT     A    23_A     A    23_A      4    7  106      4    4   10   27   44   56   65   71   83   91   99  109  113  115  124  131  140  147  153  160 
LCS_GDT     P    24_A     P    24_A      3    7  106      3    3    4    7    9   37   52   64   74   81   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     V    25_A     V    25_A      3    7  106      3    4    4    7    9   11   38   54   64   80   87   98  107  113  124  131  140  147  153  160 
LCS_GDT     G    26_A     G    26_A      3    7  106      3    4    4    7   13   18   33   51   69   85   90  101  107  113  124  131  140  147  153  160 
LCS_GDT     A    27_A     A    27_A      3    4  106      3    4    4    4    8   18   38   54   64   80   87  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    28_A     T    28_A      3    4  106      3    4   16   24   31   47   59   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     I    29_A     I    29_A      3    3  106      3    3    3    5   10   28   50   64   77   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     S    30_A     S    30_A      3    4  106      3   14   31   46   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     E    31_A     E    31_A      3    4  106      3    3    9   22   28   42   55   65   76   85   92  101  107  113  119  128  137  145  153  160 
LCS_GDT     S    32_A     S    32_A      3    4  106      3    8   14   24   28   39   50   59   67   75   82   89   98  105  113  120  129  136  143  152 
LCS_GDT     L    33_A     L    33_A      3    4  106      3    4    5   25   35   46   55   65   76   85   92  101  107  113  119  128  137  145  153  160 
LCS_GDT     N    34_A     N    34_A      4    6  106      4    4   10   28   42   50   61   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     L    35_A     L    35_A      4    6  106      4    4   10   21   29   35   50   67   76   85   93  101  107  113  119  131  140  147  153  160 
LCS_GDT     T    36_A     T    36_A      4    6  106      4    4    4   14   19   26   33   66   75   85   90  100  107  113  118  121  126  135  152  160 
LCS_GDT     T    37_A     T    37_A      4    6  106      4    4    6   14   19   26   33   43   67   78   86   95  107  112  118  121  126  131  140  150 
LCS_GDT     P    38_A     P    38_A      4    6  106      3    4    6    8   14   26   33   50   69   85   90   98  107  113  118  131  140  147  153  160 
LCS_GDT     L    39_A     L    39_A      4   10  106      3    4   10   21   31   42   60   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     R    40_A     R    40_A      9   10  106      7   22   37   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     I    41_A     I    41_A      9   10  106     11   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     V    42_A     V    42_A      9   10  106      6   24   38   49   57   61   67   71   79   86   93  101  107  113  122  131  140  147  153  160 
LCS_GDT     A    43_A     A    43_A      9   10  106     10   22   37   49   57   61   67   71   79   86   93  101  107  113  122  131  137  144  153  160 
LCS_GDT     L    44_A     L    44_A      9   10  106     10   24   38   49   57   61   67   71   79   86   93  101  107  113  118  124  134  140  146  154 
LCS_GDT     D    45_A     D    45_A      9   10  106     10   21   37   49   57   61   67   71   79   86   93  101  107  113  118  121  127  134  146  150 
LCS_GDT     K    46_A     K    46_A      9   10  106      5    9   17   39   52   61   67   71   79   86   93  101  107  113  118  121  126  131  137  144 
LCS_GDT     D    47_A     D    47_A      9   10  106      5   11   23   34   47   56   64   70   77   85   89  100  107  113  118  121  126  131  135  141 
LCS_GDT     I    48_A     I    48_A      9   10  106      5    7   18   33   44   55   62   68   76   83   89  100  107  113  118  121  126  131  135  141 
LCS_GDT     E    49_A     E    49_A      3   10  106      3    8   25   45   56   61   67   71   79   86   93  101  107  113  118  121  126  131  137  144 
LCS_GDT     D    50_A     D    50_A      3    6  106      3    3    3    3    4    6   16   38   69   82   93  101  107  113  122  131  137  144  152  159 
LCS_GDT     T    51_A     T    51_A      4    7  106      3    4    6    7   23   30   39   58   66   77   86   95  107  113  124  131  140  147  153  160 
LCS_GDT     K    52_A     K    52_A      4    7  106      3    4    6    8   30   40   47   58   70   82   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     D    53_A     D    53_A      4    7  106      3    4   22   29   37   47   57   70   78   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     P    54_A     P    54_A      4    7  106      3    4   20   36   49   61   67   71   79   86   93  101  107  113  122  131  140  146  153  160 
LCS_GDT     E    55_A     E    55_A      4    7  106      3    4    6   20   26   43   62   71   79   86   93  101  107  113  122  131  140  147  153  160 
LCS_GDT     L    56_A     L    56_A      4    7  106      3    3    5    7   13   29   40   62   78   86   93  101  107  113  122  131  140  147  153  160 
LCS_GDT     H    57_A     H    57_A      4   17  106      3    3    5   12   17   30   49   66   78   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     L    58_A     L    58_A      4   27  106      3    3    5    6   16   34   46   64   77   85   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     F    59_A     F    59_A      4   41  106      3    4    6   16   23   50   65   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     L    60_A     L    60_A      4   41  106      3    4    5   17   19   32   62   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     N    61_A     N    61_A     10   56  106      3    6   21   32   47   59   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     D    62_A     D    62_A     12   57  106      8   17   28   44   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     Y    63_A     Y    63_A     12   57  106     11   20   36   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    64_A     T    64_A     12   57  106     11   20   33   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     S    65_A     S    65_A     12   57  106     11   20   33   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     V    66_A     V    66_A     12   57  106     11   20   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     F    67_A     F    67_A     12   57  106     11   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    68_A     T    68_A     12   57  106     11   22   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     V    69_A     V    69_A     12   57  106      8   21   36   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    70_A     T    70_A     12   57  106      8   17   34   46   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     P    71_A     P    71_A     12   57  106      3   10   23   40   54   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    72_A     T    72_A     12   57  106      4   13   29   45   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     G    73_A     G    73_A     12   57  106      4   12   18   30   46   60   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     I    74_A     I    74_A     11   57  106      6   22   34   49   57   61   67   71   79   86   93  101  107  113  122  131  140  147  153  160 
LCS_GDT     T    75_A     T    75_A     11   57  106      4   16   27   34   48   58   64   70   77   85   92  101  107  113  122  131  140  147  153  160 
LCS_GDT     R    76_A     R    76_A     15   57  106     10   19   35   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     Y    77_A     Y    77_A     15   57  106     11   20   35   47   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     L    78_A     L    78_A     21   57  106      9   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    79_A     T    79_A     21   57  106     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     L    80_A     L    80_A     21   57  106     11   24   38   49   57   61   67   71   79   86   93  101  107  114  124  131  140  147  153  160 
LCS_GDT     L    81_A     L    81_A     21   57  106     11   23   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     Q    82_A     Q    82_A     21   57  106     11   24   38   49   57   61   67   71   79   86   93  101  107  115  124  131  140  147  153  160 
LCS_GDT     P    83_A     P    83_A     21   57  106      9   24   37   49   57   61   67   71   79   92   97  108  113  115  124  131  140  147  153  160 
LCS_GDT     V    84_A     V    84_A     21   57  106     10   24   38   49   57   61   67   71   79   92   97  108  113  115  121  131  140  147  153  160 
LCS_GDT     D    85_A     D    85_A     21   57  106      5   24   38   49   57   61   67   71   79   86   93  108  113  115  118  126  133  145  152  160 
LCS_GDT     R    86_A     R    86_A     21   57  106      5   24   38   49   57   61   67   71   79  103  108  109  113  115  118  126  132  145  152  160 
LCS_GDT     E    87_A     E    87_A     21   57  106      5   24   38   47   57   61   66   71   78   85   93  100  106  113  116  121  125  131  137  149 
LCS_GDT     E    88_A     E    88_A     21   57  106      9   24   38   49   57   61   67   71   79   86   93  101  107  113  118  121  126  131  145  158 
LCS_GDT     Q    89_A     Q    89_A     21   57  106     11   24   38   49   57   61   67   71   79   86   93  101  107  113  121  131  140  147  153  160 
LCS_GDT     Q    90_A     Q    90_A     21   57  106     10   24   38   49   57   61   67   71   81   93  104  109  113  115  123  131  140  147  153  160 
LCS_GDT     T    91_A     T    91_A     21   57  106     12   24   38   49   57   61   67   71   79   86   94  102  110  114  124  131  140  147  153  160 
LCS_GDT     Y    92_A     Y    92_A     21   57  106     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    93_A     T    93_A     21   57  106     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     F    94_A     F    94_A     21   57  106      5   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     L    95_A     L    95_A     21   57  106     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     I    96_A     I    96_A     21   57  106     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     T    97_A     T    97_A     21   57  106     12   24   38   49   57   61   67   71   79   86   93  101  107  113  122  131  140  147  153  160 
LCS_GDT     A    98_A     A    98_A     21   57  106     11   24   38   49   57   61   67   71   79   86   93  101  107  113  122  131  137  145  153  160 
LCS_GDT     F    99_A     F    99_A     21   57  106     10   24   37   47   57   61   67   71   79   86   93  101  107  113  118  124  134  140  146  154 
LCS_GDT     D   100_A     D   100_A     21   57  106     10   24   37   47   57   61   67   71   79   86   93  101  107  113  118  121  126  134  146  150 
LCS_GDT     G   101_A     G   101_A     18   57  106      3    7   21   38   49   56   64   70   76   83   88  100  107  113  118  121  126  131  135  141 
LCS_GDT     V   102_A     V   102_A     18   57  106      5   12   30   39   49   56   64   70   76   83   88  100  107  113  118  121  126  131  135  140 
LCS_GDT     Q   103_A     Q   103_A      4   57  106      8   24   38   49   57   61   67   71   79   86   93  101  107  113  118  121  127  135  144  150 
LCS_GDT     E   104_A     E   104_A      4   57  106      3    4    4   10   24   56   64   70   78   85   93  101  107  113  118  121  126  134  144  148 
LCS_GDT     S   105_A     S   105_A     13   57  106      3    4   33   49   57   61   67   71   79   86   93  101  107  113  122  131  138  145  153  160 
LCS_GDT     E   106_A     E   106_A     13   57  106      6   24   34   46   56   61   64   70   79   86   93  101  107  113  118  124  134  140  146  154 
LCS_GDT     P   107_A     P   107_A     13   57  106      5   24   38   49   57   61   67   71   79   86   93  101  107  113  122  131  138  145  153  160 
LCS_GDT     V   108_A     V   108_A     13   57  113     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     V   109_A     V   109_A     13   57  113     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     V   110_A     V   110_A     13   57  113     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     N   111_A     N   111_A     13   57  113     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     I   112_A     I   112_A     13   57  113     12   24   38   49   57   61   67   71   79   86   93  101  107  113  124  131  140  147  153  160 
LCS_GDT     R   113_A     R   113_A     13  108  113     11   24   38   49   57   61   67   71   79   90   99  106  113  115  124  131  140  147  153  160 
LCS_GDT     V   114_A     V   114_A     13  108  113     10   24   38   49   57   61   70   85   95  104  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     M   115_A     M   115_A    105  108  113     10   24   38   49   62   85   97  106  106  106  108  109  113  115  118  126  137  145  152  160 
LCS_GDT     D   116_A     D   116_A    105  108  113     10   44   77   99  104  105  105  106  106  106  108  109  113  115  118  123  132  139  152  160 
LCS_GDT     A   117_A     A   117_A    105  108  113     38   99  103  103  104  105  105  106  106  106  108  109  113  115  118  123  127  135  145  152 
LCS_GDT     N   118_A     N   118_A    105  108  113     83  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  127  135  145  156 
LCS_GDT     D   119_A     D   119_A    105  108  113     80  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  127  135  145  156 
LCS_GDT     N   120_A     N   120_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  132  141  152  160 
LCS_GDT     A   121_A     A   121_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  119  128  136  145  153  160 
LCS_GDT     P   122_A     P   122_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  120  131  140  147  153  160 
LCS_GDT     V   123_A     V   123_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  122  131  140  147  153  160 
LCS_GDT     F   124_A     F   124_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     D   125_A     D   125_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     P   126_A     P   126_A    105  108  113      6  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     Y   127_A     Y   127_A    105  108  113     57  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   128_A     L   128_A    105  108  113      6   98  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     P   129_A     P   129_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     R   130_A     R   130_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     N   131_A     N   131_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   132_A     L   132_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     S   133_A     S   133_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   134_A     V   134_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   135_A     V   135_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     E   136_A     E   136_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     E   137_A     E   137_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  139  147  153  160 
LCS_GDT     E   138_A     E   138_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     A   139_A     A   139_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     N   140_A     N   140_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     A   141_A     A   141_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     F   142_A     F   142_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   143_A     V   143_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     G   144_A     G   144_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     Q   145_A     Q   145_A    105  108  113     78  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   146_A     V   146_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     R   147_A     R   147_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     A   148_A     A   148_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     T   149_A     T   149_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  120  131  140  147  153  160 
LCS_GDT     D   150_A     D   150_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  124  134  145  152  160 
LCS_GDT     P   151_A     P   151_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  130  135  145  159 
LCS_GDT     D   152_A     D   152_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  126  134  143  150 
LCS_GDT     A   153_A     A   153_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  108  113  115  118  123  126  131  140  149 
LCS_GDT     G   154_A     G   154_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  126  134  143  150 
LCS_GDT     I   155_A     I   155_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  130  134  143  153 
LCS_GDT     N   156_A     N   156_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  130  135  145  156 
LCS_GDT     G   157_A     G   157_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  130  139  152  160 
LCS_GDT     Q   158_A     Q   158_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  124  133  145  152  160 
LCS_GDT     V   159_A     V   159_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  121  131  140  147  153  160 
LCS_GDT     H   160_A     H   160_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  122  131  140  147  153  160 
LCS_GDT     Y   161_A     Y   161_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     S   162_A     S   162_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   163_A     L   163_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     G   164_A     G   164_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     N   165_A     N   165_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     F   166_A     F   166_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     N   167_A     N   167_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     N   168_A     N   168_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   169_A     L   169_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     F   170_A     F   170_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     R   171_A     R   171_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     I   172_A     I   172_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     T   173_A     T   173_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     S   174_A     S   174_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     N   175_A     N   175_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     G   176_A     G   176_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     S   177_A     S   177_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     I   178_A     I   178_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     Y   179_A     Y   179_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     T   180_A     T   180_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     A   181_A     A   181_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   182_A     V   182_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     K   183_A     K   183_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   184_A     L   184_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     N   185_A     N   185_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  139  147  153  160 
LCS_GDT     R   186_A     R   186_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  139  147  153  160 
LCS_GDT     E   187_A     E   187_A    105  108  113     55  100  103  103  104  105  105  106  106  106  108  109  113  115  120  131  138  147  152  160 
LCS_GDT     A   188_A     A   188_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  122  131  138  147  152  160 
LCS_GDT     R   189_A     R   189_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     D   190_A     D   190_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     H   191_A     H   191_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     Y   192_A     Y   192_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     E   193_A     E   193_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   194_A     L   194_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   195_A     V   195_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   196_A     V   196_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   197_A     V   197_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     A   198_A     A   198_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     T   199_A     T   199_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  122  131  140  147  153  160 
LCS_GDT     D   200_A     D   200_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  127  136  145  153  160 
LCS_GDT     G   201_A     G   201_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  130  139  152  160 
LCS_GDT     A   202_A     A   202_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  127  135  145  156 
LCS_GDT     V   203_A     V   203_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  126  131  140  149 
LCS_GDT     H   204_A     H   204_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  127  135  145  154 
LCS_GDT     P   205_A     P   205_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  118  123  132  141  152  160 
LCS_GDT     R   206_A     R   206_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  119  128  136  145  153  160 
LCS_GDT     H   207_A     H   207_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  122  131  140  147  153  160 
LCS_GDT     S   208_A     S   208_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     T   209_A     T   209_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   210_A     L   210_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     T   211_A     T   211_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   212_A     L   212_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     Y   213_A     Y   213_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     I   214_A     I   214_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     K   215_A     K   215_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     V   216_A     V   216_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     L   217_A     L   217_A    105  108  113     90  100  103  103  104  105  105  106  106  106  108  109  113  115  124  131  140  147  153  160 
LCS_GDT     D   218_A     D   218_A    105  108  113     52  100  103  103  104  105  105  106  106  106  108  109  113  115  120  131  138  147  152  160 
LCS_GDT     I   219_A     I   219_A    105  108  113      4   77  103  103  104  105  105  106  106  106  108  109  113  115  120  131  138  147  152  160 
LCS_GDT     D   220_A     D   220_A    105  108  113      3    3    3   79  104  105  105  106  106  106  108  109  113  115  120  131  138  147  152  160 
LCS_AVERAGE  LCS_A:  34.43  (  25.29   31.15   46.83 )

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     90    100    103    103    104    105    105    106    106    106    108    109    113    115    124    131    140    147    153    160 
GDT PERCENT_AT  40.36  44.84  46.19  46.19  46.64  47.09  47.09  47.53  47.53  47.53  48.43  48.88  50.67  51.57  55.61  58.74  62.78  65.92  68.61  71.75
GDT RMS_LOCAL    0.28   0.35   0.45   0.45   0.61   0.71   0.71   1.03   1.03   1.03   1.69   2.29   2.79   3.16   4.96   5.12   5.48   5.65   5.90   6.12
GDT RMS_ALL_AT  23.49  23.38  23.27  23.27  23.08  22.99  22.99  22.63  22.63  22.63  21.79  20.76  19.81  18.99  10.15  10.36   9.92  10.13   9.86   9.95

# Checking swapping
#   possible swapping detected:  E     3_A      E     3_A
#   possible swapping detected:  Y     9_A      Y     9_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  D    45_A      D    45_A
#   possible swapping detected:  D    47_A      D    47_A
#   possible swapping detected:  D    53_A      D    53_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  D    85_A      D    85_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  E   193_A      E   193_A
#   possible swapping detected:  Y   213_A      Y   213_A
#   possible swapping detected:  D   220_A      D   220_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     3_A      E     3_A    62.866     0    0.317   1.105    65.273    0.000    0.000
LGA    N     4_A      N     4_A    60.210     0    0.271   0.806    62.579    0.000    0.000
LGA    N     5_A      N     5_A    56.253     0    0.617   1.237    57.509    0.000    0.000
LGA    Q     6_A      Q     6_A    51.720     0    0.038   0.866    53.129    0.000    0.000
LGA    S     7_A      S     7_A    49.102     0    0.029   0.628    50.424    0.000    0.000
LGA    P     8_A      P     8_A    42.421     0    0.190   0.452    45.877    0.000    0.000
LGA    Y     9_A      Y     9_A    38.799     0    0.036   1.340    42.036    0.000    0.000
LGA    F    10_A      F    10_A    32.966     0    0.171   1.162    35.465    0.000    0.000
LGA    T    11_A      T    11_A    30.607     0    0.716   0.643    31.141    0.000    0.000
LGA    M    12_A      M    12_A    28.056     0    0.432   0.892    30.688    0.000    0.000
LGA    P    13_A      P    13_A    29.584     0    0.644   0.553    29.584    0.000    0.000
LGA    S    14_A      S    14_A    28.493     0    0.175   0.576    29.514    0.000    0.000
LGA    Y    15_A      Y    15_A    25.398     0    0.131   1.258    26.267    0.000    0.000
LGA    Q    16_A      Q    16_A    22.189     0    0.052   0.993    23.558    0.000    0.000
LGA    G    17_A      G    17_A    18.848     0    0.048   0.048    19.807    0.000    0.000
LGA    Y    18_A      Y    18_A    14.112     0    0.665   1.225    20.881    0.000    0.000
LGA    I    19_A      I    19_A    12.214     0    0.107   0.461    15.944    0.000    0.000
LGA    L    20_A      L    20_A    13.550     0    0.567   0.774    16.660    0.000    0.000
LGA    E    21_A      E    21_A    18.055     0    0.100   0.989    24.049    0.000    0.000
LGA    S    22_A      S    22_A    13.803     0    0.168   0.574    14.724    0.000    0.000
LGA    A    23_A      A    23_A    13.699     0    0.665   0.653    17.528    0.000    0.000
LGA    P    24_A      P    24_A    17.942     0    0.036   0.163    20.122    0.000    0.000
LGA    V    25_A      V    25_A    23.529     0    0.025   0.092    27.584    0.000    0.000
LGA    G    26_A      G    26_A    22.080     0    0.033   0.033    22.513    0.000    0.000
LGA    A    27_A      A    27_A    22.515     0    0.595   0.588    25.478    0.000    0.000
LGA    T    28_A      T    28_A    23.721     0    0.600   0.510    24.959    0.000    0.000
LGA    I    29_A      I    29_A    22.377     0    0.626   0.811    23.624    0.000    0.000
LGA    S    30_A      S    30_A    20.584     0    0.607   0.734    23.937    0.000    0.000
LGA    E    31_A      E    31_A    25.298     0    0.122   0.887    26.991    0.000    0.000
LGA    S    32_A      S    32_A    23.563     0    0.635   0.579    23.563    0.000    0.000
LGA    L    33_A      L    33_A    19.567     0    0.513   1.273    20.687    0.000    0.000
LGA    N    34_A      N    34_A    19.201     0    0.065   1.190    22.532    0.000    0.000
LGA    L    35_A      L    35_A    20.099     0    0.253   0.253    22.732    0.000    0.000
LGA    T    36_A      T    36_A    17.766     0    0.464   1.149    21.015    0.000    0.000
LGA    T    37_A      T    37_A    22.225     0    0.687   1.011    25.200    0.000    0.000
LGA    P    38_A      P    38_A    23.750     0    0.064   0.109    25.469    0.000    0.000
LGA    L    39_A      L    39_A    27.693     0    0.142   1.398    32.898    0.000    0.000
LGA    R    40_A      R    40_A    28.635     0    0.055   1.396    30.150    0.000    0.000
LGA    I    41_A      I    41_A    30.231     0    0.028   0.107    32.100    0.000    0.000
LGA    V    42_A      V    42_A    33.782     0    0.131   1.056    35.605    0.000    0.000
LGA    A    43_A      A    43_A    37.787     0    0.085   0.108    38.956    0.000    0.000
LGA    L    44_A      L    44_A    41.558     0    0.118   0.204    43.665    0.000    0.000
LGA    D    45_A      D    45_A    45.290     0    0.118   1.064    49.105    0.000    0.000
LGA    K    46_A      K    46_A    48.152     0    0.062   0.845    51.427    0.000    0.000
LGA    D    47_A      D    47_A    52.644     0    0.121   0.918    54.725    0.000    0.000
LGA    I    48_A      I    48_A    51.451     0    0.472   0.630    54.673    0.000    0.000
LGA    E    49_A      E    49_A    49.517     0    0.683   1.336    56.237    0.000    0.000
LGA    D    50_A      D    50_A    44.701     0    0.597   0.599    46.321    0.000    0.000
LGA    T    51_A      T    51_A    38.908     0    0.671   0.569    40.976    0.000    0.000
LGA    K    52_A      K    52_A    38.845     0    0.302   0.815    39.582    0.000    0.000
LGA    D    53_A      D    53_A    37.243     0    0.063   1.105    38.283    0.000    0.000
LGA    P    54_A      P    54_A    38.653     0    0.606   0.594    39.588    0.000    0.000
LGA    E    55_A      E    55_A    36.414     0    0.517   0.819    38.664    0.000    0.000
LGA    L    56_A      L    56_A    35.491     0    0.116   1.410    36.574    0.000    0.000
LGA    H    57_A      H    57_A    33.586     0    0.146   1.142    36.521    0.000    0.000
LGA    L    58_A      L    58_A    29.437     0    0.049   0.880    30.524    0.000    0.000
LGA    F    59_A      F    59_A    31.558     0    0.579   1.481    35.719    0.000    0.000
LGA    L    60_A      L    60_A    28.398     0    0.602   0.910    29.748    0.000    0.000
LGA    N    61_A      N    61_A    29.110     0    0.125   1.313    32.582    0.000    0.000
LGA    D    62_A      D    62_A    26.302     0    0.686   0.666    28.978    0.000    0.000
LGA    Y    63_A      Y    63_A    23.794     0    0.043   0.234    25.405    0.000    0.000
LGA    T    64_A      T    64_A    25.274     0    0.094   1.137    29.075    0.000    0.000
LGA    S    65_A      S    65_A    22.778     0    0.098   0.178    23.777    0.000    0.000
LGA    V    66_A      V    66_A    20.390     0    0.086   0.099    21.420    0.000    0.000
LGA    F    67_A      F    67_A    21.600     0    0.138   0.181    24.011    0.000    0.000
LGA    T    68_A      T    68_A    24.101     0    0.091   0.886    24.378    0.000    0.000
LGA    V    69_A      V    69_A    25.948     0    0.031   0.229    27.608    0.000    0.000
LGA    T    70_A      T    70_A    26.469     0    0.072   1.020    29.394    0.000    0.000
LGA    P    71_A      P    71_A    30.920     0    0.185   0.201    33.851    0.000    0.000
LGA    T    72_A      T    72_A    32.277     0    0.212   1.174    35.117    0.000    0.000
LGA    G    73_A      G    73_A    32.388     0    0.685   0.685    34.984    0.000    0.000
LGA    I    74_A      I    74_A    34.393     0    0.070   0.090    35.856    0.000    0.000
LGA    T    75_A      T    75_A    29.549     0    0.563   0.919    30.780    0.000    0.000
LGA    R    76_A      R    76_A    28.260     0    0.584   0.923    37.208    0.000    0.000
LGA    Y    77_A      Y    77_A    24.735     0    0.063   0.392    26.727    0.000    0.000
LGA    L    78_A      L    78_A    22.924     0    0.063   1.365    24.294    0.000    0.000
LGA    T    79_A      T    79_A    19.936     0    0.144   1.087    22.462    0.000    0.000
LGA    L    80_A      L    80_A    17.894     0    0.045   0.096    18.395    0.000    0.000
LGA    L    81_A      L    81_A    18.988     0    0.016   0.163    22.594    0.000    0.000
LGA    Q    82_A      Q    82_A    16.710     0    0.052   1.127    19.412    0.000    0.000
LGA    P    83_A      P    83_A    13.578     0    0.047   0.047    14.759    0.000    0.000
LGA    V    84_A      V    84_A    13.222     0    0.182   0.960    13.531    0.000    0.000
LGA    D    85_A      D    85_A    11.074     0    0.108   0.646    12.696    0.000    0.000
LGA    R    86_A      R    86_A     9.451     0    0.100   1.261    10.894    0.476    3.420
LGA    E    87_A      E    87_A    11.623     0    0.137   0.955    14.718    0.000    0.582
LGA    E    88_A      E    88_A    15.876     0    0.026   1.453    20.394    0.000    0.000
LGA    Q    89_A      Q    89_A    15.642     0    0.071   1.321    19.886    0.000    0.000
LGA    Q    90_A      Q    90_A    12.498     0    0.037   1.086    13.754    0.000    2.910
LGA    T    91_A      T    91_A    16.258     0    0.115   0.753    18.181    0.000    0.000
LGA    Y    92_A      Y    92_A    20.067     0    0.059   0.261    21.127    0.000    0.000
LGA    T    93_A      T    93_A    23.512     0    0.080   0.096    25.642    0.000    0.000
LGA    F    94_A      F    94_A    27.460     0    0.101   1.165    28.347    0.000    0.000
LGA    L    95_A      L    95_A    30.617     0    0.088   1.390    35.478    0.000    0.000
LGA    I    96_A      I    96_A    31.953     0    0.055   1.048    33.749    0.000    0.000
LGA    T    97_A      T    97_A    36.133     0    0.038   1.078    38.279    0.000    0.000
LGA    A    98_A      A    98_A    38.794     0    0.071   0.089    41.428    0.000    0.000
LGA    F    99_A      F    99_A    42.755     0    0.110   1.278    45.209    0.000    0.000
LGA    D   100_A      D   100_A    45.671     0    0.680   1.325    50.029    0.000    0.000
LGA    G   101_A      G   101_A    50.374     0    0.051   0.051    53.204    0.000    0.000
LGA    V   102_A      V   102_A    52.566     0    0.617   0.669    55.129    0.000    0.000
LGA    Q   103_A      Q   103_A    47.388     0    0.613   1.403    48.832    0.000    0.000
LGA    E   104_A      E   104_A    46.517     0    0.445   0.916    54.124    0.000    0.000
LGA    S   105_A      S   105_A    40.559     0    0.171   0.201    42.359    0.000    0.000
LGA    E   106_A      E   106_A    41.134     0    0.100   1.148    47.010    0.000    0.000
LGA    P   107_A      P   107_A    37.457     0    0.073   0.098    40.663    0.000    0.000
LGA    V   108_A      V   108_A    33.482     0    0.102   1.095    34.812    0.000    0.000
LGA    V   109_A      V   109_A    29.618     0    0.042   0.197    31.125    0.000    0.000
LGA    V   110_A      V   110_A    25.969     0    0.076   0.100    27.613    0.000    0.000
LGA    N   111_A      N   111_A    22.216     0    0.147   0.342    24.530    0.000    0.000
LGA    I   112_A      I   112_A    18.449     0    0.106   0.234    19.829    0.000    0.000
LGA    R   113_A      R   113_A    14.578     0    0.038   1.147    16.096    0.000    0.000
LGA    V   114_A      V   114_A    11.132     0    0.025   0.061    13.040    0.476    0.272
LGA    M   115_A      M   115_A     7.562     0    0.026   0.084     9.861   11.071    6.845
LGA    D   116_A      D   116_A     3.636     0    0.030   0.487     4.861   47.262   47.917
LGA    A   117_A      A   117_A     1.251     0    0.067   0.062     2.213   79.524   81.714
LGA    N   118_A      N   118_A     0.206     0    0.189   0.301     0.892   95.238   96.429
LGA    D   119_A      D   119_A     0.689     0    0.259   1.176     2.938   95.238   84.226
LGA    N   120_A      N   120_A     0.417     0    0.084   1.116     2.603  100.000   88.869
LGA    A   121_A      A   121_A     0.344     0    0.038   0.052     0.462  100.000  100.000
LGA    P   122_A      P   122_A     0.336     0    0.036   0.070     0.450  100.000  100.000
LGA    V   123_A      V   123_A     0.384     0    0.035   0.057     0.419  100.000  100.000
LGA    F   124_A      F   124_A     0.323     0    0.040   0.082     0.384  100.000  100.000
LGA    D   125_A      D   125_A     0.457     0    0.060   0.187     1.194   95.238   91.726
LGA    P   126_A      P   126_A     0.925     0    0.045   0.061     1.055   88.214   87.891
LGA    Y   127_A      Y   127_A     0.824     0    0.141   0.338     1.459   90.476   88.968
LGA    L   128_A      L   128_A     1.347     0    0.089   0.139     3.801   83.690   69.643
LGA    P   129_A      P   129_A     0.350     0    0.097   0.171     0.598   92.857   93.197
LGA    R   130_A      R   130_A     0.680     0    0.031   1.154     4.804   90.476   79.740
LGA    N   131_A      N   131_A     0.692     0    0.048   0.495     2.384   90.476   87.321
LGA    L   132_A      L   132_A     0.505     0    0.064   0.079     0.893   90.476   95.238
LGA    S   133_A      S   133_A     0.422     0    0.078   0.663     2.171   95.238   90.952
LGA    V   134_A      V   134_A     0.295     0    0.013   0.039     0.367  100.000  100.000
LGA    V   135_A      V   135_A     0.386     0    0.028   0.070     0.525  100.000   98.639
LGA    E   136_A      E   136_A     0.399     0    0.022   0.276     0.734  100.000   97.884
LGA    E   137_A      E   137_A     0.446     0    0.095   0.599     1.926   95.238   88.730
LGA    E   138_A      E   138_A     0.369     0    0.071   0.252     0.873   97.619   96.825
LGA    A   139_A      A   139_A     0.351     0    0.085   0.138     0.965   97.619   96.190
LGA    N   140_A      N   140_A     0.422     0    0.061   0.763     2.806   97.619   87.619
LGA    A   141_A      A   141_A     0.320     0    0.021   0.052     0.395  100.000  100.000
LGA    F   142_A      F   142_A     0.318     0    0.000   0.147     0.725  100.000   98.268
LGA    V   143_A      V   143_A     0.177     0    0.086   0.092     0.238  100.000  100.000
LGA    G   144_A      G   144_A     0.458     0    0.029   0.029     0.458  100.000  100.000
LGA    Q   145_A      Q   145_A     0.652     0    0.083   0.829     1.909   92.857   83.651
LGA    V   146_A      V   146_A     0.270     0    0.026   0.046     0.339  100.000  100.000
LGA    R   147_A      R   147_A     0.476     0    0.021   0.197     1.888  100.000   89.870
LGA    A   148_A      A   148_A     0.570     0    0.037   0.054     0.779   90.476   90.476
LGA    T   149_A      T   149_A     0.555     0    0.035   0.076     0.680   97.619   94.558
LGA    D   150_A      D   150_A     0.657     0    0.118   0.292     1.504   86.071   87.143
LGA    P   151_A      P   151_A     0.800     0    0.035   0.064     0.800   90.476   90.476
LGA    D   152_A      D   152_A     0.691     0    0.059   0.341     1.474   92.857   89.405
LGA    A   153_A      A   153_A     1.015     0    0.046   0.091     1.312   85.952   85.048
LGA    G   154_A      G   154_A     0.888     0    0.038   0.038     0.917   90.476   90.476
LGA    I   155_A      I   155_A     0.834     0    0.040   0.126     1.078   90.476   89.345
LGA    N   156_A      N   156_A     0.592     0    0.103   0.224     0.864   90.476   90.476
LGA    G   157_A      G   157_A     0.656     0    0.050   0.050     0.745   90.476   90.476
LGA    Q   158_A      Q   158_A     0.653     0    0.092   0.124     0.728   90.476   90.476
LGA    V   159_A      V   159_A     0.792     0    0.055   0.083     0.824   90.476   90.476
LGA    H   160_A      H   160_A     0.715     0    0.042   0.068     0.840   90.476   90.476
LGA    Y   161_A      Y   161_A     0.541     0    0.015   0.046     0.556   90.476   92.063
LGA    S   162_A      S   162_A     0.448     0    0.035   0.079     0.471  100.000  100.000
LGA    L   163_A      L   163_A     0.332     0    0.041   0.075     0.390  100.000  100.000
LGA    G   164_A      G   164_A     0.434     0    0.067   0.067     0.704   97.619   97.619
LGA    N   165_A      N   165_A     0.430     0    0.021   0.045     0.430  100.000  100.000
LGA    F   166_A      F   166_A     0.376     0    0.057   0.069     0.655  100.000   97.403
LGA    N   167_A      N   167_A     0.303     0    0.035   0.836     3.016  100.000   90.238
LGA    N   168_A      N   168_A     0.380     0    0.021   1.055     4.498   97.619   77.321
LGA    L   169_A      L   169_A     0.175     0    0.027   0.095     0.409  100.000  100.000
LGA    F   170_A      F   170_A     0.200     0    0.041   0.061     0.286  100.000  100.000
LGA    R   171_A      R   171_A     0.454     0    0.020   1.573     8.845  100.000   61.082
LGA    I   172_A      I   172_A     0.118     0    0.050   0.072     0.228  100.000  100.000
LGA    T   173_A      T   173_A     0.233     0    0.009   0.218     0.842  100.000   97.279
LGA    S   174_A      S   174_A     0.095     0    0.028   0.092     0.200  100.000  100.000
LGA    N   175_A      N   175_A     0.174     0    0.018   1.313     4.780  100.000   79.821
LGA    G   176_A      G   176_A     0.233     0    0.023   0.023     0.262  100.000  100.000
LGA    S   177_A      S   177_A     0.175     0    0.048   0.074     0.292  100.000  100.000
LGA    I   178_A      I   178_A     0.137     0    0.033   0.051     0.265  100.000  100.000
LGA    Y   179_A      Y   179_A     0.143     0    0.043   0.109     0.881  100.000   97.619
LGA    T   180_A      T   180_A     0.219     0    0.013   0.089     0.425  100.000  100.000
LGA    A   181_A      A   181_A     0.172     0    0.042   0.045     0.475  100.000  100.000
LGA    V   182_A      V   182_A     0.350     0    0.008   0.087     0.476  100.000  100.000
LGA    K   183_A      K   183_A     0.370     0    0.024   0.601     2.048  100.000   93.968
LGA    L   184_A      L   184_A     0.406     0    0.038   0.122     0.443  100.000  100.000
LGA    N   185_A      N   185_A     0.292     0    0.101   0.928     2.142  100.000   92.202
LGA    R   186_A      R   186_A     0.329     0    0.065   0.468     1.947  100.000   92.511
LGA    E   187_A      E   187_A     0.687     0    0.120   0.585     2.170   88.214   82.751
LGA    A   188_A      A   188_A     0.437     0    0.033   0.036     0.622   97.619   98.095
LGA    R   189_A      R   189_A     0.260     0    0.112   0.979     2.764  100.000   92.035
LGA    D   190_A      D   190_A     0.213     0    0.097   0.229     0.823  100.000   98.810
LGA    H   191_A      H   191_A     0.565     0    0.100   1.094     5.682   90.476   70.952
LGA    Y   192_A      Y   192_A     0.555     0    0.048   0.115     0.618   95.238   95.238
LGA    E   193_A      E   193_A     0.299     0    0.024   0.901     4.131  100.000   80.899
LGA    L   194_A      L   194_A     0.060     0    0.014   0.041     0.211  100.000  100.000
LGA    V   195_A      V   195_A     0.252     0    0.018   0.046     0.546  100.000   98.639
LGA    V   196_A      V   196_A     0.162     0    0.026   0.085     0.313  100.000  100.000
LGA    V   197_A      V   197_A     0.263     0    0.075   0.079     0.476  100.000  100.000
LGA    A   198_A      A   198_A     0.432     0    0.030   0.038     0.500  100.000   98.095
LGA    T   199_A      T   199_A     0.445     0    0.029   0.078     0.701   95.238   94.558
LGA    D   200_A      D   200_A     0.578     0    0.028   0.277     0.826   92.857   94.048
LGA    G   201_A      G   201_A     0.738     0    0.040   0.040     0.882   90.476   90.476
LGA    A   202_A      A   202_A     0.688     0    0.035   0.053     0.728   90.476   90.476
LGA    V   203_A      V   203_A     0.723     0    0.043   1.288     2.573   90.476   82.041
LGA    H   204_A      H   204_A     0.658     0    0.038   1.107     2.383   90.476   82.762
LGA    P   205_A      P   205_A     0.633     0    0.027   0.088     0.677   95.238   93.197
LGA    R   206_A      R   206_A     0.505     0    0.054   0.995     3.250   95.238   86.104
LGA    H   207_A      H   207_A     0.450     0    0.058   1.189     4.923   95.238   71.333
LGA    S   208_A      S   208_A     0.384     0    0.021   0.079     0.647  100.000   98.413
LGA    T   209_A      T   209_A     0.297     0    0.031   0.158     0.695  100.000   98.639
LGA    L   210_A      L   210_A     0.209     0    0.115   0.313     0.960   97.619   95.238
LGA    T   211_A      T   211_A     0.230     0    0.031   0.080     0.423  100.000  100.000
LGA    L   212_A      L   212_A     0.091     0    0.017   0.100     0.228  100.000  100.000
LGA    Y   213_A      Y   213_A     0.464     0    0.059   0.242     1.262   95.238   92.103
LGA    I   214_A      I   214_A     0.602     0    0.036   0.639     1.452   92.857   90.595
LGA    K   215_A      K   215_A     0.513     0    0.019   0.776     2.157   92.857   82.963
LGA    V   216_A      V   216_A     0.522     0    0.019   0.035     0.581   90.476   90.476
LGA    L   217_A      L   217_A     0.568     0    0.060   0.092     0.991   95.238   92.857
LGA    D   218_A      D   218_A     0.669     0    0.093   0.393     1.867   88.214   87.143
LGA    I   219_A      I   219_A     1.533     0    0.683   0.999     5.350   59.881   61.131
LGA    D   220_A      D   220_A     3.638     0    0.140   1.060     9.178   48.810   31.845

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      218     872    872  100.00    1720   1720  100.00               223
SUMMARY(RMSD_GDC):     9.603          9.524                 10.023           44.656   43.031

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  220  223    4.0    106    1.03    49.327    44.033     9.359

LGA_LOCAL      RMSD:   1.033  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.634  Number of assigned atoms:  218 
Std_ASGN_ATOMS RMSD:   9.603  Standard rmsd on all 218 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.810092 * X  +  -0.560949 * Y  +  -0.170548 * Z  + -12.411391
  Y_new =   0.506696 * X  +  -0.816174 * Y  +   0.277703 * Z  +  57.495537
  Z_new =  -0.294974 * X  +   0.138549 * Y  +   0.945407 * Z  +  -2.920646 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.582648  0.299428  0.145513   [DEG:  147.9748   17.1560    8.3373 ]
ZXZ: -2.590842  0.331955 -1.131683   [DEG: -148.4443   19.0196  -64.8406 ]
 
# END of job
