
#######################################################
#                                                     #
#                        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  251 ( 2082),  selected  239 , name one
# Molecule2: number of CA atoms  239 ( 1967),  selected  239 , 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:    70      62_A - 131_A       4.97    16.06
  LONGEST_CONTINUOUS_SEGMENT:    70      63_A - 132_A       4.81    15.70
  LONGEST_CONTINUOUS_SEGMENT:    70      64_A - 133_A       4.91    15.42
  LCS_AVERAGE:     22.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      64_A - 93_A        1.95    17.46
  LONGEST_CONTINUOUS_SEGMENT:    30      65_A - 94_A        1.99    17.41
  LCS_AVERAGE:      6.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      65_A - 90_A        0.95    17.29
  LCS_AVERAGE:      3.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  239
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     N     2_A     N     2_A      3    3   41      0    3   13   17   20   27   38   53   75   90  105  124  141  147  151  157  161  165  169  172 
LCS_GDT     S     3_A     S     3_A      3    4   41      3   11   16   19   33   53   74   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T     4_A     T     4_A      3    4   41      6   15   22   34   54   67   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E     5_A     E     5_A      3    4   41      3    3    5   14   30   44   61   76   92  109  123  135  142  148  153  157  161  165  169  172 
LCS_GDT     N     6_A     N     6_A      4    8   41      4    4    5   11   21   49   66   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     K     7_A     K     7_A      4    8   41      4    4    7   15   24   46   68   87  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N     8_A     N     8_A      6    8   41      4    5    6   15   34   48   68   83   99  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F     9_A     F     9_A      6    8   41      4    5    6   21   34   48   61   83   99  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     V    10_A     V    10_A      6    8   41      4    5    9   22   33   47   60   77   94  111  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     I    11_A     I    11_A      6   18   41      3    5    6   19   34   47   61   77   95  111  123  135  142  148  153  157  161  165  169  172 
LCS_GDT     S    12_A     S    12_A      6   18   41      3    5    6    9   20   46   61   77   91  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I    13_A     I    13_A      6   18   41      4    5    6   10   13   23   33   51   80   99  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     S    14_A     S    14_A      4   20   41      3    9   15   19   22   30   44   56   88  103  128  133  142  148  153  157  161  165  169  172 
LCS_GDT     T    15_A     T    15_A      4   20   41      3    3    5    7   13   22   28   34   41   56   81  100  121  140  147  155  160  165  169  172 
LCS_GDT     A    16_A     A    16_A     15   20   41      8   14   16   20   26   39   54   69   92  109  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E    17_A     E    17_A     15   20   41     10   14   16   20   28   43   54   71   88  109  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Q    18_A     Q    18_A     15   20   41     10   14   16   21   35   43   62   82   98  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     R    19_A     R    19_A     15   20   41      9   14   16   23   38   55   76   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     R    20_A     R    20_A     15   20   41     10   14   16   24   38   57   74   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N    21_A     N    21_A     15   20   41     10   14   16   28   40   58   74   89  101  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     H    22_A     H    22_A     15   20   41      8   14   23   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I    23_A     I    23_A     15   20   41     10   14   23   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I    24_A     I    24_A     15   20   41     10   14   19   35   48   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E    25_A     E    25_A     15   20   41     10   14   19   35   48   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Q    26_A     Q    26_A     15   20   41     10   14   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F    27_A     F    27_A     15   20   41      4   14   16   37   50   63   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T    28_A     T    28_A     15   20   41     10   14   21   28   42   62   74   90  101  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     H    29_A     H    29_A     15   20   41     10   14   17   37   50   63   77   90  101  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Q    30_A     Q    30_A     15   20   41      4    9   15   37   50   63   77   90  101  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N    31_A     N    31_A      6   20   41      3   11   27   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I    32_A     I    32_A      6   20   41      3   11   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     P    33_A     P    33_A      6   20   41      3   11   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F    34_A     F    34_A      6   20   41      3    5   25   36   54   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E    35_A     E    35_A      4   20   41      3    4   26   35   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F    36_A     F    36_A      4   15   41      3   11   21   34   54   66   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F    37_A     F    37_A      3    9   41      1    5   17   31   47   64   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     D    38_A     D    38_A      3    9   41      3   11   21   34   47   66   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A    39_A     A    39_A      4    9   41      3    5   10   29   44   63   73   89  100  114  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     F    40_A     F    40_A      4    9   41      3    4    5   11   18   32   46   70   91  106  123  128  138  145  153  157  161  165  169  172 
LCS_GDT     T    41_A     T    41_A      4   17   41      3    5    6   15   24   35   59   81   94  110  123  132  141  148  153  157  161  165  169  172 
LCS_GDT     P    42_A     P    42_A      4   17   41      3    5   11   15   15   17   22   40   62   85  107  117  128  134  141  146  157  164  168  171 
LCS_GDT     S    43_A     S    43_A     12   17   32      4   10   13   15   15   17   21   28   39   53   80   98  111  119  127  140  145  153  160  167 
LCS_GDT     D    44_A     D    44_A     12   17   32      4   10   13   15   15   17   21   25   37   53   68   82  110  114  121  131  142  151  157  164 
LCS_GDT     K    45_A     K    45_A     12   17   32      4   10   13   15   15   17   21   25   28   33   39   50   66   75  105  112  121  134  142  148 
LCS_GDT     L    46_A     L    46_A     12   17   32      5   10   13   15   15   17   19   25   28   33   39   50   66   75   87   98  121  127  136  147 
LCS_GDT     T    47_A     T    47_A     12   17   32      5   10   13   15   15   17   21   25   28   32   37   48   66   74   87   98  112  126  136  145 
LCS_GDT     D    48_A     D    48_A     12   17   32      5   10   13   15   15   17   21   25   28   32   37   43   53   59   71   86  102  111  126  137 
LCS_GDT     H    49_A     H    49_A     12   17   32      3   10   13   15   15   17   21   25   28   31   37   43   46   50   54   58   63   73   89  116 
LCS_GDT     L    50_A     L    50_A     12   17   32      5   10   13   15   15   17   20   25   28   31   37   43   46   50   55   64   70  102  106  117 
LCS_GDT     Q    51_A     Q    51_A     12   17   32      3   10   13   15   15   17   21   25   28   32   37   43   46   50   55   64   70   76   89  102 
LCS_GDT     R    52_A     R    52_A     12   17   32      5   10   13   15   15   17   21   25   28   32   37   43   46   50   54   58   63   72   83   90 
LCS_GDT     Y    53_A     Y    53_A     12   17   32      3    9   13   15   15   17   21   25   28   31   37   43   46   50   54   58   63   71   76   80 
LCS_GDT     L    54_A     L    54_A     12   17   32      3    9   13   15   15   17   21   25   28   31   37   43   46   50   54   58   63   71   76   98 
LCS_GDT     P    55_A     P    55_A      4   17   32      3    4    7   15   15   17   21   25   26   30   34   43   46   50   54   58   62   69   74   80 
LCS_GDT     N    56_A     N    56_A      4   17   32      3    4    9   15   15   17   21   25   28   31   37   43   46   50   54   58   63   71   74   80 
LCS_GDT     V    57_A     V    57_A      3   17   32      3    3    7    9   13   17   21   25   28   31   37   43   46   50   54   58   67   71   89   99 
LCS_GDT     A    58_A     A    58_A      3    9   32      3    3    4    7   11   13   15   20   26   29   37   43   46   58   67   73   82  104  122  138 
LCS_GDT     N    59_A     N    59_A      4    6   32      3    4    4    5    6   13   18   20   21   26   28   34   39   46   51   71   75   94  104  113 
LCS_GDT     A    60_A     A    60_A      4    6   32      3    4    4   13   14   17   18   24   28   32   37   43   46   58   67   73   86  104  122  139 
LCS_GDT     A    61_A     A    61_A      4    6   38      3    4    4   12   15   17   18   20   22   26   30   37   42   58   67   73   91  114  122  139 
LCS_GDT     Q    62_A     Q    62_A      4    6   70      3    4    4    6   10   11   15   19   22   25   37   43   46   58   68   89  109  118  133  145 
LCS_GDT     L    63_A     L    63_A      4    6   70      3    4    4    5   11   15   19   27   38   51   68   85  101  116  127  137  147  155  159  166 
LCS_GDT     T    64_A     T    64_A      4   30   70      3    4    4    5   12   21   36   48   65   85   97  115  130  137  146  152  158  160  166  171 
LCS_GDT     M    65_A     M    65_A     26   30   70     11   22   29   37   54   66   77   90  102  114  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     G    66_A     G    66_A     26   30   70     11   22   29   37   54   66   77   90  101  112  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     E    67_A     E    67_A     26   30   70     11   22   29   37   54   66   77   90  102  114  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     K    68_A     K    68_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     G    69_A     G    69_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     C    70_A     C    70_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L    71_A     L    71_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     M    72_A     M    72_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     S    73_A     S    73_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     H    74_A     H    74_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F    75_A     F    75_A     26   30   70     11   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     M    76_A     M    76_A     26   30   70      7   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L    77_A     L    77_A     26   30   70     10   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     W    78_A     W    78_A     26   30   70      6   22   27   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     K    79_A     K    79_A     26   30   70     10   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     K    80_A     K    80_A     26   30   70     10   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     C    81_A     C    81_A     26   30   70      6   22   27   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I    82_A     I    82_A     26   30   70      8   22   27   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     D    83_A     D    83_A     26   30   70     10   22   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E    84_A     E    84_A     26   30   70     10   22   28   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N    85_A     N    85_A     26   30   70      6   22   27   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L    86_A     L    86_A     26   30   70      3   16   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     D    87_A     D    87_A     26   30   70      3   10   25   31   42   62   75   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Y    88_A     Y    88_A     26   30   70      5   22   27   37   57   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I    89_A     I    89_A     26   30   70      3   19   27   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T    90_A     T    90_A     26   30   70      5   19   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L    91_A     L    91_A     25   30   70      6   18   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F    92_A     F    92_A     18   30   70      6   15   26   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E    93_A     E    93_A      7   30   70      3    6   13   29   45   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     D    94_A     D    94_A      5   30   70      3    4    7   12   18   32   45   58   78  101  112  127  139  147  152  157  161  165  169  172 
LCS_GDT     D    95_A     D    95_A      5   10   70      3    4    5   12   18   32   45   67   82  101  123  133  141  148  153  157  161  165  169  172 
LCS_GDT     I    96_A     I    96_A      5   10   70      3    6   12   27   39   60   76   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L    97_A     L    97_A      5   10   70      3    4    7   18   48   60   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L    98_A     L    98_A      5   10   70      3    4   11   34   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     G    99_A     G    99_A      4   13   70      3    3    5   12   19   23   30   66   74   96  108  122  133  145  149  157  160  164  168  172 
LCS_GDT     E   100_A     E   100_A      4   13   70      3    4    9   18   26   36   50   64   90  104  115  131  142  147  153  157  161  165  169  172 
LCS_GDT     N   101_A     N   101_A      6   13   70      3    5    8   17   27   36   53   73  101  112  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   102_A     A   102_A      6   13   70      3    5    8   21   33   50   60   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N   103_A     N   103_A      6   13   70      4    5   23   36   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     K   104_A     K   104_A      6   13   70      4   16   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F   105_A     F   105_A      6   13   70      4    5   18   35   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   106_A     L   106_A      6   13   70      4    5    8   10   18   40   63   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   107_A     A   107_A      5   13   70      3    5    8   10   11   22   53   74   91  110  123  135  142  148  153  157  161  165  169  172 
LCS_GDT     E   108_A     E   108_A      5   13   70      4    5    8   10   15   22   49   64   79   92  107  121  136  146  152  157  161  165  168  171 
LCS_GDT     G   109_A     G   109_A      5   13   70      4    5    8   10   11   16   24   36   78   93  115  134  142  148  152  157  161  165  169  172 
LCS_GDT     D   110_A     D   110_A      5   13   70      4    5   16   29   46   66   77   90  101  112  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     W   111_A     W   111_A      5   13   70      4    4   23   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   112_A     L   112_A      3    9   70      3   13   24   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     K   113_A     K   113_A      3    4   70      3    3    3   22   32   42   54   74   79   89  105  120  135  143  150  157  160  164  168  171 
LCS_GDT     V   114_A     V   114_A      3    6   70      3    3    4    6   25   36   45   57   68   88  106  122  134  142  153  157  161  165  168  171 
LCS_GDT     R   115_A     R   115_A      4    6   70      3   16   22   32   45   56   71   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F   116_A     F   116_A      4    6   70      3    5   17   28   39   54   68   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N   117_A     N   117_A      4    6   70      3    4    4    7   26   42   61   78   96  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F   118_A     F   118_A      5    6   70      3    5    5    6   14   25   52   63   80   94  109  119  133  144  152  157  161  165  169  172 
LCS_GDT     Q   119_A     Q   119_A      5    6   70      3    5    5    7   21   43   74   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E   120_A     E   120_A      5    8   70      4    6   10   21   36   58   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I   121_A     I   121_A      5    8   70      3    5    7   20   24   37   48   68   93  112  128  135  142  148  152  157  161  165  169  172 
LCS_GDT     F   122_A     F   122_A      5    8   70      3    5    8   17   27   46   70   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     V   123_A     V   123_A      5    8   70      3    4    7   19   24   32   45   64   89  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   124_A     L   124_A      5    8   70      3    4   10   16   30   53   76   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     R   125_A     R   125_A      5    8   70      3    7   12   20   25   46   70   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   126_A     L   126_A      5    8   70      3    4    6   19   32   56   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E   127_A     E   127_A      5    8   70      3    4   18   34   49   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T   128_A     T   128_A      4    8   70      3    3   10   22   48   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F   129_A     F   129_A      4    7   70      3    3    4   24   32   43   73   80   92  112  120  132  142  148  153  157  161  165  169  172 
LCS_GDT     L   130_A     L   130_A      4    7   70      3   11   21   34   47   67   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     M   131_A     M   131_A      4    7   70      3    6    9   22   33   48   68   83  100  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     P   132_A     P   132_A      4    7   70      3    4    4    8   12   20   28   36   49   64   87  109  122  135  143  152  161  165  169  172 
LCS_GDT     V   133_A     V   133_A      4    7   70      3    4    5    9   16   22   29   41   50   61   80   97  113  131  139  149  157  165  169  172 
LCS_GDT     Q   134_A     Q   134_A      4    7   19      3    4    4   14   22   23   31   39   47   66   82   99  117  135  143  152  160  165  169  172 
LCS_GDT     L   135_A     L   135_A      4    7   18      3    4    4    6    7   19   23   31   41   50   61   74   81   91  111  123  134  149  161  170 
LCS_GDT     E   136_A     E   136_A      4    5   18      3    4    4    5   16   19   23   32   41   50   66   74   81   91  111  125  136  149  161  170 
LCS_GDT     K   137_A     K   137_A      4    5   14      3    4    4    5    5   14   15   17   17   19   27   30   35   48   71   97  109  118  133  149 
LCS_GDT     Q   138_A     Q   138_A      4    5   17      3    4    4    5    5    5   15   17   18   18   27   30   43   67   74   96  127  146  152  164 
LCS_GDT     T   139_A     T   139_A      3    7   17      3    3    3    5    6    7    8   10   18   22   27   30   32   33   47   57   78   87   98  137 
LCS_GDT     Q   140_A     Q   140_A      3    7   17      3    3    3    5    7    7    9   11   13   14   16   19   21   26   40   52   62   75   92  111 
LCS_GDT     I   141_A     I   141_A      5    7   17      3    5    5    6    7    8    9   11   13   16   18   21   23   33   35   36   40   67   78   91 
LCS_GDT     P   142_A     P   142_A      5    7   17      3    5    5    6    7    8    9   11   13   16   18   21   23   29   35   36   40   44   50   56 
LCS_GDT     P   143_A     P   143_A      5    7   17      3    5    5    6    7    8    9   18   21   24   27   30   32   41   50   60   68   81   97  113 
LCS_GDT     F   144_A     F   144_A      5    8   17      3    5    5    6    7    7    9   11   13   16   18   21   23   29   35   36   40   47   61   64 
LCS_GDT     Q   145_A     Q   145_A      5    9   17      3    5    5    7    8    8   10   11   13   16   18   25   27   32   35   36   47   52   61   64 
LCS_GDT     Q   146_A     Q   146_A      5    9   17      4    5    5    7    8   10   14   18   21   24   27   31   38   46   54   60   69   82   98  113 
LCS_GDT     R   147_A     R   147_A      5    9   17      4    5    6    7    8    9   15   18   20   24   28   31   38   46   54   60   72   87   99  113 
LCS_GDT     D   148_A     D   148_A      5    9   17      4    5    6    7    9   10   11   15   16   21   23   26   28   32   44   55   63   76   88   95 
LCS_GDT     I   149_A     I   149_A      5    9   17      4    5    6    7    9   10   11   13   14   18   19   22   28   32   35   39   41   50   61   82 
LCS_GDT     D   150_A     D   150_A      5    9   17      4    5    6    7    9   10   18   18   20   21   23   29   31   43   54   61   68   81   96  100 
LCS_GDT     I   151_A     I   151_A      5    9   17      4    5    6    8   12   14   18   18   20   25   25   34   36   40   44   53   68   76   90   99 
LCS_GDT     L   152_A     L   152_A      5    9   23      3    5    6    7    9   10   11   22   25   28   34   40   47   49   54   72   76   86  101  113 
LCS_GDT     T   153_A     T   153_A      5    9   28      3    3    5    7    9   14   17   27   28   35   42   49   58   67   76   84   96  113  121  137 
LCS_GDT     S   154_A     S   154_A      3    9   66      3    3    5    8   16   20   25   29   37   46   52   71   77   87   98  111  123  142  150  159 
LCS_GDT     K   155_A     K   155_A      4    8   68      3    4    5    7    9   15   21   29   37   48   59   71   81  102  118  127  149  158  165  170 
LCS_GDT     H   156_A     H   156_A      4    7   68      3    4    5    9   15   20   42   50   59   73  102  115  131  140  148  157  161  165  169  172 
LCS_GDT     F   157_A     F   157_A      4    7   68      3    5    5    9   16   28   42   57   73   89  111  130  138  145  151  157  161  165  169  172 
LCS_GDT     G   158_A     G   158_A      4    7   68      3    4   13   26   39   53   76   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T   159_A     T   159_A      3    7   68      2    4    9   26   38   51   74   89  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   160_A     A   160_A      3    7   68      1    3    4    7    8    9   16   20   27   35   43  108  121  132  148  153  159  165  169  172 
LCS_GDT     G   161_A     G   161_A      4    9   68      1    3    5    8   12   17   20   41   61   97  113  127  141  148  153  157  161  165  169  172 
LCS_GDT     Y   162_A     Y   162_A      4   20   68      3    7   10   21   38   60   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     V   163_A     V   163_A      4   20   68      3    7   10   15   26   42   58   75  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I   164_A     I   164_A     17   20   68      5   15   22   38   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     S   165_A     S   165_A     17   20   68      7   16   22   38   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Q   166_A     Q   166_A     17   20   68      6   16   22   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     G   167_A     G   167_A     17   20   68      7   16   23   38   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   168_A     A   168_A     17   20   68      6   16   22   34   53   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   169_A     A   169_A     17   20   68      6   16   22   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     K   170_A     K   170_A     17   20   68      6   16   24   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Y   171_A     Y   171_A     17   20   68      7   16   23   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   172_A     L   172_A     17   20   68      7   16   26   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I   173_A     I   173_A     17   20   68      6   16   22   40   57   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   174_A     A   174_A     17   20   68      7   16   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   175_A     L   175_A     17   20   68      7   16   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F   176_A     F   176_A     17   20   68     11   16   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E   177_A     E   177_A     17   20   68      7   16   22   35   49   66   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     K   178_A     K   178_A     17   20   68      6   16   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   179_A     L   179_A     17   20   68      5   16   23   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T   180_A     T   180_A     17   20   68      7   14   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T   181_A     T   181_A     17   20   68      3   15   29   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E   182_A     E   182_A      4   20   68      3    3    6   10   15   37   59   75   94  110  123  132  141  148  153  157  161  165  169  172 
LCS_GDT     E   183_A     E   183_A      4    6   68      3    3    4    7   13   18   36   48   75   84  107  117  128  135  142  152  161  164  168  171 
LCS_GDT     I   184_A     I   184_A      3   10   68      3   11   25   34   50   64   75   90  101  114  124  132  142  148  153  157  161  165  169  172 
LCS_GDT     K   185_A     K   185_A      3   10   68      3   11   25   34   52   66   77   90  102  114  124  135  142  148  153  157  161  165  169  172 
LCS_GDT     P   186_A     P   186_A      7   13   68      3    5   22   30   47   63   76   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I   187_A     I   187_A      7   13   68      3    7   23   39   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     D   188_A     D   188_A      7   13   68      5   15   25   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     E   189_A     E   189_A      7   13   68      6   15   23   36   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I   190_A     I   190_A      7   13   68      3   11   23   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     M   191_A     M   191_A      7   13   68      3   10   23   40   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     F   192_A     F   192_A      7   13   68      6   14   23   39   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N   193_A     N   193_A      5   13   68      4    7   19   33   46   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Q   194_A     Q   194_A      5   13   68      4    5    9   17   41   58   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Q   195_A     Q   195_A      5   13   68      4    6   10   28   42   65   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I   196_A     I   196_A      5   13   68      4   15   23   37   58   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N   197_A     N   197_A      5   13   68      3    3   21   35   49   68   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   198_A     A   198_A      4   13   68      3    3    7   15   41   58   77   90  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     T   199_A     T   199_A      3    8   68      3    3   14   28   36   52   74   85   94  112  118  132  142  148  153  157  161  165  169  172 
LCS_GDT     D   200_A     D   200_A      3    5   68      3    3    4    4   14   24   51   68   88   99  113  131  135  143  153  157  161  165  168  172 
LCS_GDT     Y   201_A     Y   201_A      4    8   68      3    3    7    8   10   12   33   47   70   91  113  131  141  148  153  157  161  165  169  172 
LCS_GDT     R   202_A     R   202_A      5    9   68      3    5   14   23   30   48   65   84  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     V   203_A     V   203_A      6    9   68      4    4    6   18   34   48   65   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Y   204_A     Y   204_A      6    9   68      4    5    7   18   34   48   68   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     Q   205_A     Q   205_A      6    9   68      4    5   10   18   34   48   61   79   99  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     L   206_A     L   206_A      6    9   68      4    5    9   17   35   48   63   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     N   207_A     N   207_A      6    9   68      3    6   10   15   26   43   58   80   99  112  128  135  141  148  153  157  161  165  169  172 
LCS_GDT     P   208_A     P   208_A      6    9   68      3    4   10   26   38   48   68   86  100  112  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     A   209_A     A   209_A      3    9   68      3    4    7   22   33   52   70   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     I   210_A     I   210_A      3    9   68      2    5    7   26   41   55   67   86  102  114  128  135  142  148  153  157  161  165  169  172 
LCS_GDT     C   211_A     C   211_A      3    4   68      0   13   17   23   30   37   44   57   69   85  101  113  123  141  151  157  161  165  169  172 
LCS_GDT     V   212_A     V   212_A      3    4   68      3    3    3    4    7   29   40   57   67   90  101  109  123  135  148  157  161  165  169  172 
LCS_GDT     Q   213_A     Q   213_A      6    9   68      4    7    7    7   10   28   42   57   73   85   98  108  117  131  142  152  161  165  169  172 
LCS_GDT     E   214_A     E   214_A      6    9   68      5    7    7    7   17   35   49   63   80   91  104  118  132  141  150  157  161  165  169  172 
LCS_GDT     L   215_A     L   215_A      6    9   68      5    7    7    9   15   26   41   57   65   77   98  103  116  126  135  148  155  164  169  172 
LCS_GDT     Q   216_A     Q   216_A      6    9   68      5    7    7    7    9   16   25   43   51   70   82  101  111  122  134  144  154  164  169  172 
LCS_GDT     L   217_A     L   217_A      6    9   68      5    7   10   22   28   39   56   72   90  102  115  125  140  145  153  157  161  165  169  172 
LCS_GDT     N   218_A     N   218_A      6    9   68      5    7   12   19   34   48   61   79   99  109  128  131  141  147  153  157  161  165  169  172 
LCS_GDT     Q   219_A     Q   219_A      5    9   68      4    4   14   25   38   48   68   83   99  111  128  132  141  148  153  157  161  165  169  172 
LCS_GDT     E   220_A     E   220_A      5    9   68      4    4    5    6   12   14   17   62   75   96  113  125  140  142  153  157  161  165  169  172 
LCS_GDT     A   221_A     A   221_A      5    9   68      4    7    7    7   11   13   22   57   74   85  106  117  132  139  148  152  160  164  168  172 
LCS_GDT     S   222_A     S   222_A      5    9   68      4    4    5    6    9   20   28   37   56   71   94  108  124  136  148  152  158  164  168  172 
LCS_GDT     L   223_A     L   223_A      4    5   68      3    3    4    4    8   16   18   20   32   34   45   66   74   85   96  102  115  126  146  153 
LCS_GDT     L   224_A     L   224_A      4   16   63      3    4    8   13   15   16   18   19   21   24   27   31   38   41   66   79   85   99  108  116 
LCS_GDT     V   225_A     V   225_A      4   16   23      4    4    4    6   15   16   18   19   21   24   27   30   32   56   69   78   90   99  108  116 
LCS_GDT     S   226_A     S   226_A      4   16   23      4    4    4   10   14   15   16   19   21   24   27   46   54   67   73   84   92   99  108  116 
LCS_GDT     N   227_A     N   227_A     13   16   23      4    4    8   12   13   14   16   16   16   20   27   30   32   51   66   73   81   94  102  110 
LCS_GDT     L   228_A     L   228_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   51   65   77   86  100 
LCS_GDT     E   229_A     E   229_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   36   44   54   66   72   80   89   98  105 
LCS_GDT     Q   230_A     Q   230_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   33   40   51   63   71   75   85   94  105 
LCS_GDT     E   231_A     E   231_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   40   43   56   74   83 
LCS_GDT     R   232_A     R   232_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   40   45   54   63   74 
LCS_GDT     K   233_A     K   233_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   47   59   66   75   84 
LCS_GDT     I   234_A     I   234_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   40   43   50   59   69 
LCS_GDT     N   235_A     N   235_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   40   43   50   59   69 
LCS_GDT     L   236_A     L   236_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   40   43   50   59   69 
LCS_GDT     K   237_A     K   237_A     13   16   23     11   12   12   13   15   16   18   19   21   24   27   30   32   33   35   40   43   50   59   69 
LCS_GDT     Y   238_A     Y   238_A     13   16   23     11   12   12   13   15   16   18   19   20   24   27   30   32   33   35   40   43   50   55   64 
LCS_GDT     E   239_A     E   239_A     13   16   23      3   12   12   13   15   16   16   19   21   24   27   30   32   33   35   40   43   50   55   64 
LCS_GDT     K   240_A     K   240_A      3   15   23      0    3    3    3    5    8   10   12   17   24   27   30   32   33   35   40   42   46   50   58 
LCS_AVERAGE  LCS_A:  10.90  (   3.98    6.18   22.55 )

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     11     22     29     40     58     68     77     90    102    114    128    135    142    148    153    157    161    165    169    172 
GDT PERCENT_AT   4.60   9.21  12.13  16.74  24.27  28.45  32.22  37.66  42.68  47.70  53.56  56.49  59.41  61.92  64.02  65.69  67.36  69.04  70.71  71.97
GDT RMS_LOCAL    0.31   0.66   1.04   1.47   1.86   2.09   2.24   2.56   2.94   3.26   3.70   3.81   3.98   4.15   4.34   4.45   4.66   4.80   5.14   5.24
GDT RMS_ALL_AT  30.34  17.57  17.38  16.57  16.03  15.96  16.34  16.01  15.43  15.21  14.92  15.09  15.14  15.05  14.92  14.91  14.75  14.89  14.45  14.44

# Checking swapping
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    27_A      F    27_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  F    75_A      F    75_A
#   possible swapping detected:  D    83_A      D    83_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  Y    88_A      Y    88_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  E   127_A      E   127_A
#   possible swapping detected:  F   129_A      F   129_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  Y   162_A      Y   162_A
#   possible swapping detected:  Y   171_A      Y   171_A
#   possible swapping detected:  E   177_A      E   177_A
#   possible swapping detected:  E   182_A      E   182_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  E   220_A      E   220_A
#   possible swapping detected:  E   229_A      E   229_A
#   possible swapping detected:  E   239_A      E   239_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N     2_A      N     2_A     8.749     0    0.230   1.221    15.140    7.262    3.631
LGA    S     3_A      S     3_A     4.829     0    0.601   0.829     6.410   33.929   29.841
LGA    T     4_A      T     4_A     3.000     0    0.308   1.153     6.090   55.833   42.585
LGA    E     5_A      E     5_A     5.988     0    0.646   1.212    13.671   30.476   14.074
LGA    N     6_A      N     6_A     5.122     0    0.667   0.918    10.954   28.810   17.500
LGA    K     7_A      K     7_A     5.045     0    0.099   0.725     7.549   26.190   20.159
LGA    N     8_A      N     8_A     6.523     0    0.624   0.650     7.728   15.476   12.798
LGA    F     9_A      F     9_A     6.304     0    0.149   0.214    11.384   14.643    7.186
LGA    V    10_A      V    10_A     6.698     0    0.612   0.637     9.305   17.262   11.156
LGA    I    11_A      I    11_A     7.293     0    0.416   0.914    10.667   13.452    6.964
LGA    S    12_A      S    12_A     7.054     0    0.233   0.574     7.199   13.452   12.302
LGA    I    13_A      I    13_A     7.867     0    0.135   0.624    11.518    8.571    4.345
LGA    S    14_A      S    14_A     8.334     0    0.609   0.664    11.956    2.976    2.460
LGA    T    15_A      T    15_A    11.851     0    0.768   1.458    13.923    0.238    0.136
LGA    A    16_A      A    16_A     8.341     0    0.439   0.485     9.738    7.381    6.857
LGA    E    17_A      E    17_A     7.950     0    0.086   1.055     8.661    8.810    6.878
LGA    Q    18_A      Q    18_A     7.142     0    0.072   0.368     9.509   13.929    8.201
LGA    R    19_A      R    19_A     5.402     0    0.112   0.865     6.628   27.976   22.814
LGA    R    20_A      R    20_A     4.923     0    0.048   1.534     5.701   31.548   38.874
LGA    N    21_A      N    21_A     5.040     0    0.076   0.260     6.578   34.762   26.012
LGA    H    22_A      H    22_A     2.617     0    0.102   0.585     4.137   61.667   57.190
LGA    I    23_A      I    23_A     1.719     0    0.127   1.578     3.927   72.976   68.452
LGA    I    24_A      I    24_A     3.041     0    0.065   0.667     4.590   53.690   46.250
LGA    E    25_A      E    25_A     2.973     0    0.056   0.656     6.324   57.262   43.598
LGA    Q    26_A      Q    26_A     1.633     0    0.075   0.785     2.718   66.905   73.280
LGA    F    27_A      F    27_A     3.271     0    0.046   0.638     4.574   45.476   48.442
LGA    T    28_A      T    28_A     3.999     0    0.136   0.189     4.550   40.357   38.980
LGA    H    29_A      H    29_A     3.435     0    0.108   0.846     4.820   45.119   45.762
LGA    Q    30_A      Q    30_A     3.498     0    0.689   1.147     5.805   42.381   38.571
LGA    N    31_A      N    31_A     1.239     0    0.310   0.495     4.089   79.286   68.631
LGA    I    32_A      I    32_A     1.148     0    0.102   0.111     3.418   83.690   71.429
LGA    P    33_A      P    33_A     1.376     0    0.606   0.765     4.554   69.405   75.850
LGA    F    34_A      F    34_A     2.763     0    0.094   1.329    11.108   66.905   29.524
LGA    E    35_A      E    35_A     2.463     0    0.267   1.014     8.422   57.500   33.280
LGA    F    36_A      F    36_A     3.547     0    0.595   1.268    12.026   57.500   23.377
LGA    F    37_A      F    37_A     3.950     0    0.095   1.179    13.114   43.452   18.442
LGA    D    38_A      D    38_A     3.767     0    0.273   1.089     6.353   43.452   34.345
LGA    A    39_A      A    39_A     4.363     0    0.689   0.618     4.929   38.810   38.476
LGA    F    40_A      F    40_A     7.801     0    0.101   1.147    14.404    7.262    2.641
LGA    T    41_A      T    41_A     6.781     0    0.314   0.493    10.553    7.024   22.789
LGA    P    42_A      P    42_A    11.553     0    0.655   0.646    12.669    0.119    0.136
LGA    S    43_A      S    43_A    15.545     0    0.728   0.925    19.113    0.000    0.000
LGA    D    44_A      D    44_A    17.619     0    0.079   1.182    19.884    0.000    0.000
LGA    K    45_A      K    45_A    20.079     0    0.089   0.797    24.830    0.000    0.000
LGA    L    46_A      L    46_A    19.561     0    0.214   1.348    21.037    0.000    0.000
LGA    T    47_A      T    47_A    21.169     0    0.084   0.855    23.460    0.000    0.000
LGA    D    48_A      D    48_A    24.211     0    0.203   1.467    26.819    0.000    0.000
LGA    H    49_A      H    49_A    25.052     0    0.101   1.437    25.763    0.000    0.000
LGA    L    50_A      L    50_A    23.620     0    0.194   1.369    25.043    0.000    0.000
LGA    Q    51_A      Q    51_A    26.825     0    0.115   1.248    28.595    0.000    0.000
LGA    R    52_A      R    52_A    28.734     0    0.164   1.211    33.267    0.000    0.000
LGA    Y    53_A      Y    53_A    27.433     0    0.067   0.812    29.299    0.000    0.000
LGA    L    54_A      L    54_A    25.821     0    0.078   1.362    26.682    0.000    0.000
LGA    P    55_A      P    55_A    29.987     0    0.565   0.613    32.288    0.000    0.000
LGA    N    56_A      N    56_A    29.800     0    0.532   1.272    31.048    0.000    0.000
LGA    V    57_A      V    57_A    24.560     0    0.143   0.164    26.058    0.000    0.000
LGA    A    58_A      A    58_A    21.964     0    0.430   0.417    22.699    0.000    0.000
LGA    N    59_A      N    59_A    22.433     0    0.071   0.506    24.067    0.000    0.000
LGA    A    60_A      A    60_A    22.133     0    0.591   0.555    22.133    0.000    0.000
LGA    A    61_A      A    61_A    21.387     0    0.099   0.101    22.900    0.000    0.000
LGA    Q    62_A      Q    62_A    20.679     0    0.706   0.919    22.543    0.000    0.000
LGA    L    63_A      L    63_A    14.176     0    0.468   0.556    16.879    0.000    0.000
LGA    T    64_A      T    64_A    10.481     0    0.659   1.012    12.327    2.500    1.429
LGA    M    65_A      M    65_A     3.204     0    0.234   1.160     5.629   42.857   51.369
LGA    G    66_A      G    66_A     3.689     0    0.204   0.204     3.879   46.667   46.667
LGA    E    67_A      E    67_A     3.134     0    0.091   0.707     3.458   57.381   55.661
LGA    K    68_A      K    68_A     1.471     0    0.087   0.966     6.616   75.119   56.667
LGA    G    69_A      G    69_A     1.914     0    0.029   0.029     1.914   72.857   72.857
LGA    C    70_A      C    70_A     2.071     0    0.047   0.874     4.918   70.833   63.254
LGA    L    71_A      L    71_A     1.500     0    0.028   1.428     4.145   79.286   65.357
LGA    M    72_A      M    72_A     1.067     0    0.030   1.169     3.670   81.429   73.512
LGA    S    73_A      S    73_A     1.615     0    0.119   0.703     2.287   81.548   80.238
LGA    H    74_A      H    74_A     1.311     0    0.061   1.054     3.246   85.952   76.048
LGA    F    75_A      F    75_A     0.838     0    0.130   1.078     6.707   90.476   60.000
LGA    M    76_A      M    76_A     0.886     0    0.062   0.970     3.771   85.952   81.190
LGA    L    77_A      L    77_A     1.277     0    0.077   0.181     1.657   77.143   79.286
LGA    W    78_A      W    78_A     2.089     0    0.142   1.336     7.426   70.833   48.571
LGA    K    79_A      K    79_A     1.655     0    0.000   0.884     5.125   75.000   62.963
LGA    K    80_A      K    80_A     1.092     0    0.055   0.830     3.636   81.429   73.545
LGA    C    81_A      C    81_A     2.257     0    0.040   0.054     3.080   66.786   62.381
LGA    I    82_A      I    82_A     2.312     0    0.166   0.322     3.257   68.810   61.190
LGA    D    83_A      D    83_A     1.695     0    0.129   0.212     2.175   72.857   73.988
LGA    E    84_A      E    84_A     1.371     0    0.246   0.267     1.991   79.286   76.667
LGA    N    85_A      N    85_A     2.286     0    0.414   1.103     6.949   64.881   46.310
LGA    L    86_A      L    86_A     2.047     0    0.112   1.372     7.902   57.857   39.286
LGA    D    87_A      D    87_A     3.529     0    0.339   1.085     6.534   40.595   32.560
LGA    Y    88_A      Y    88_A     2.495     0    0.080   1.323     7.380   60.952   46.627
LGA    I    89_A      I    89_A     2.278     0    0.065   1.157     4.732   70.952   66.905
LGA    T    90_A      T    90_A     1.244     0    0.115   0.149     2.532   83.810   75.714
LGA    L    91_A      L    91_A     0.693     0    0.115   0.347     1.517   90.476   88.274
LGA    F    92_A      F    92_A     1.173     0    0.103   0.501     2.605   79.286   78.615
LGA    E    93_A      E    93_A     3.698     0    0.065   1.392     5.760   40.119   33.651
LGA    D    94_A      D    94_A     8.585     0    0.154   1.028    10.256    3.571    3.333
LGA    D    95_A      D    95_A     8.887     0    0.360   1.157     9.939   10.119    5.595
LGA    I    96_A      I    96_A     4.746     0    0.160   1.238     6.481   26.786   27.560
LGA    L    97_A      L    97_A     3.471     0    0.175   1.396     5.816   57.500   50.238
LGA    L    98_A      L    98_A     2.521     0    0.058   1.160     6.198   40.357   39.107
LGA    G    99_A      G    99_A     6.504     0    0.667   0.667     6.504   22.262   22.262
LGA    E   100_A      E   100_A     5.533     0    0.543   1.186     8.285   19.405   15.820
LGA    N   101_A      N   101_A     4.607     0    0.030   0.136     5.403   31.548   30.179
LGA    A   102_A      A   102_A     4.509     0    0.000   0.000     5.492   39.048   36.476
LGA    N   103_A      N   103_A     2.111     0    0.143   0.873     3.201   71.667   67.262
LGA    K   104_A      K   104_A     1.465     0    0.069   1.029     8.340   79.405   52.804
LGA    F   105_A      F   105_A     2.441     0    0.079   0.361     5.304   53.929   43.983
LGA    L   106_A      L   106_A     5.718     0    0.000   0.054     8.319   20.714   15.655
LGA    A   107_A      A   107_A     6.554     0    0.106   0.101     9.152   11.548   13.524
LGA    E   108_A      E   108_A     7.381     0    0.683   1.248     8.421   10.476   10.688
LGA    G   109_A      G   109_A     6.645     0    0.191   0.191     6.645   17.262   17.262
LGA    D   110_A      D   110_A     3.633     0    0.573   1.025     8.946   45.714   30.476
LGA    W   111_A      W   111_A     2.125     0    0.126   1.056     8.752   71.190   32.245
LGA    L   112_A      L   112_A     2.059     0    0.547   1.451     3.228   61.190   60.238
LGA    K   113_A      K   113_A     6.796     0    0.036   0.408    18.599   21.786    9.735
LGA    V   114_A      V   114_A     7.095     0    0.651   1.359    10.798   20.238   11.633
LGA    R   115_A      R   115_A     6.135     0    0.707   1.070    12.500   18.214    7.749
LGA    F   116_A      F   116_A     6.712     0    0.095   1.440    11.313   14.286    8.009
LGA    N   117_A      N   117_A     7.175     0    0.536   0.898     9.843    7.143    9.048
LGA    F   118_A      F   118_A     9.135     0    0.058   1.441    14.823    3.690    1.385
LGA    Q   119_A      Q   119_A     5.486     0    0.092   0.983     6.243   25.238   28.783
LGA    E   120_A      E   120_A     5.302     0    0.599   0.848     8.348   26.310   18.730
LGA    I   121_A      I   121_A     7.778     0    0.186   0.408    12.960    9.405    4.762
LGA    F   122_A      F   122_A     6.093     0    0.723   1.225     8.718   19.762   15.844
LGA    V   123_A      V   123_A     8.110     0    0.215   1.055    12.650    6.667    3.810
LGA    L   124_A      L   124_A     5.433     0    0.232   0.916     6.366   22.619   24.048
LGA    R   125_A      R   125_A     6.059     0    0.083   1.106    13.573   21.786    8.788
LGA    L   126_A      L   126_A     4.419     0    0.657   0.549     8.409   35.714   23.988
LGA    E   127_A      E   127_A     3.653     0    0.172   0.408     8.794   46.667   30.317
LGA    T   128_A      T   128_A     3.031     0    0.118   0.165     6.774   46.905   37.755
LGA    F   129_A      F   129_A     5.042     0    0.560   1.097    14.714   35.952   14.026
LGA    L   130_A      L   130_A     3.802     0    0.690   0.693     5.154   36.071   54.881
LGA    M   131_A      M   131_A     7.821     0    0.132   0.725    12.268    6.190    4.345
LGA    P   132_A      P   132_A    13.485     0    0.259   0.725    16.798    0.000    0.000
LGA    V   133_A      V   133_A    16.456     0    0.264   0.320    19.802    0.000    0.000
LGA    Q   134_A      Q   134_A    16.523     0    0.158   1.160    19.142    0.000    0.000
LGA    L   135_A      L   135_A    19.448     0    0.678   1.442    22.472    0.000    0.000
LGA    E   136_A      E   136_A    19.116     0    0.064   0.256    20.409    0.000    0.000
LGA    K   137_A      K   137_A    19.495     0    0.724   0.970    24.682    0.000    0.000
LGA    Q   138_A      Q   138_A    20.110     0    0.622   1.067    22.117    0.000    0.000
LGA    T   139_A      T   139_A    26.322     0    0.666   0.977    29.194    0.000    0.000
LGA    Q   140_A      Q   140_A    28.700     0    0.600   0.708    31.315    0.000    0.000
LGA    I   141_A      I   141_A    31.286     0    0.306   0.992    32.467    0.000    0.000
LGA    P   142_A      P   142_A    35.628     0    0.056   0.889    38.593    0.000    0.000
LGA    P   143_A      P   143_A    34.192     0    0.177   0.717    37.480    0.000    0.000
LGA    F   144_A      F   144_A    38.592     0    0.583   1.019    40.999    0.000    0.000
LGA    Q   145_A      Q   145_A    39.465     0    0.465   0.817    43.247    0.000    0.000
LGA    Q   146_A      Q   146_A    39.003     0    0.321   1.244    39.037    0.000    0.000
LGA    R   147_A      R   147_A    37.610     0    0.086   1.119    38.601    0.000    0.000
LGA    D   148_A      D   148_A    39.485     0    0.195   0.254    41.328    0.000    0.000
LGA    I   149_A      I   149_A    38.911     0    0.147   0.552    45.536    0.000    0.000
LGA    D   150_A      D   150_A    34.046     0    0.098   1.125    35.227    0.000    0.000
LGA    I   151_A      I   151_A    33.314     0    0.164   1.010    36.657    0.000    0.000
LGA    L   152_A      L   152_A    28.213     0    0.608   1.142    30.663    0.000    0.000
LGA    T   153_A      T   153_A    26.097     0    0.679   0.772    27.074    0.000    0.000
LGA    S   154_A      S   154_A    21.608     0    0.051   0.751    23.337    0.000    0.000
LGA    K   155_A      K   155_A    18.038     0    0.643   1.235    26.637    0.000    0.000
LGA    H   156_A      H   156_A    13.447     0    0.403   1.003    15.496    0.000    0.000
LGA    F   157_A      F   157_A    11.679     0    0.308   1.251    20.038    0.119    0.043
LGA    G   158_A      G   158_A     5.783     0    0.274   0.274     7.579   16.786   16.786
LGA    T   159_A      T   159_A     5.757     0    0.675   0.556     8.678   12.143   16.599
LGA    A   160_A      A   160_A    10.865     0    0.108   0.115    13.077    0.476    0.381
LGA    G   161_A      G   161_A     7.295     0    0.571   0.571     7.665   13.929   13.929
LGA    Y   162_A      Y   162_A     3.666     0    0.158   1.326     7.898   35.833   41.151
LGA    V   163_A      V   163_A     4.750     0    0.118   0.125     7.971   37.262   26.667
LGA    I   164_A      I   164_A     2.195     0    0.427   1.068     5.829   59.167   52.024
LGA    S   165_A      S   165_A     2.422     0    0.552   0.574     4.360   54.048   58.968
LGA    Q   166_A      Q   166_A     1.810     0    0.081   0.744     3.659   72.857   63.439
LGA    G   167_A      G   167_A     2.457     0    0.098   0.098     2.457   66.786   66.786
LGA    A   168_A      A   168_A     2.889     0    0.061   0.069     3.481   59.048   57.238
LGA    A   169_A      A   169_A     2.295     0    0.091   0.096     2.335   68.810   68.000
LGA    K   170_A      K   170_A     1.880     0    0.101   0.192     3.448   72.857   65.026
LGA    Y   171_A      Y   171_A     1.777     0    0.095   0.185     3.645   72.857   60.159
LGA    L   172_A      L   172_A     1.720     0    0.065   1.166     4.338   70.833   65.417
LGA    I   173_A      I   173_A     2.624     0    0.147   0.732     5.793   62.857   52.917
LGA    A   174_A      A   174_A     2.318     0    0.147   0.160     2.346   64.762   64.762
LGA    L   175_A      L   175_A     1.979     0    0.032   1.275     3.573   66.786   63.274
LGA    F   176_A      F   176_A     2.243     0    0.142   1.044     4.600   59.167   54.978
LGA    E   177_A      E   177_A     3.378     0    0.066   0.372     4.859   51.786   43.069
LGA    K   178_A      K   178_A     2.169     0    0.339   0.354     2.850   62.857   63.915
LGA    L   179_A      L   179_A     2.306     0    0.073   0.146     3.106   62.857   59.107
LGA    T   180_A      T   180_A     1.903     0    0.053   0.115     2.010   72.976   72.925
LGA    T   181_A      T   181_A     1.612     0    0.151   1.011     4.935   56.190   54.014
LGA    E   182_A      E   182_A     6.280     0    0.506   1.402    11.290   15.357    8.730
LGA    E   183_A      E   183_A     9.003     0    0.233   1.162    15.654    5.357    2.381
LGA    I   184_A      I   184_A     3.942     0    0.225   0.866     5.660   33.333   33.869
LGA    K   185_A      K   185_A     3.330     0    0.079   0.789     6.122   46.667   37.989
LGA    P   186_A      P   186_A     3.914     0    0.697   0.944     5.050   50.119   42.177
LGA    I   187_A      I   187_A     2.281     0    0.209   0.973     3.423   66.786   63.929
LGA    D   188_A      D   188_A     1.194     0    0.073   1.358     5.327   77.262   62.917
LGA    E   189_A      E   189_A     2.428     0    0.239   0.714     5.726   63.095   48.519
LGA    I   190_A      I   190_A     1.646     0    0.082   0.161     2.977   72.857   66.905
LGA    M   191_A      M   191_A     1.891     0    0.085   0.835     5.812   72.857   60.595
LGA    F   192_A      F   192_A     1.892     0    0.035   1.383     8.520   65.000   41.039
LGA    N   193_A      N   193_A     4.024     0    0.201   0.850     4.736   40.357   40.417
LGA    Q   194_A      Q   194_A     5.065     0    0.056   0.400     8.678   29.048   18.942
LGA    Q   195_A      Q   195_A     3.935     0    0.550   0.642     6.510   43.452   34.815
LGA    I   196_A      I   196_A     2.252     0    0.292   1.098     3.874   55.595   55.714
LGA    N   197_A      N   197_A     3.727     0    0.164   0.552     4.702   42.262   43.869
LGA    A   198_A      A   198_A     4.379     0    0.140   0.144     6.568   46.905   40.190
LGA    T   199_A      T   199_A     4.932     0    0.626   0.671     9.244   37.262   23.605
LGA    D   200_A      D   200_A     5.627     0    0.044   0.980    10.718   19.286   10.595
LGA    Y   201_A      Y   201_A     7.266     0    0.484   1.683    16.349   12.143    4.722
LGA    R   202_A      R   202_A     7.124     0    0.026   1.194     9.377   11.667    9.091
LGA    V   203_A      V   203_A     7.557     0    0.157   1.049     9.101    5.833    6.190
LGA    Y   204_A      Y   204_A     7.722     0    0.132   1.511     7.955    7.143   17.024
LGA    Q   205_A      Q   205_A     9.289     0    0.114   1.158    15.742    1.429    0.635
LGA    L   206_A      L   206_A     7.641     0    0.539   1.088    10.341    4.286    4.702
LGA    N   207_A      N   207_A     8.700     0    0.144   1.020    13.400    7.619    3.988
LGA    P   208_A      P   208_A     9.129     0    0.644   0.730    11.640    7.857    4.490
LGA    A   209_A      A   209_A     7.771     0    0.708   0.672     9.877   13.333   10.762
LGA    I   210_A      I   210_A     6.701     0    0.053   1.512     9.512    7.500   14.226
LGA    C   211_A      C   211_A    11.625     0    0.546   1.066    13.973    0.476    0.317
LGA    V   212_A      V   212_A    13.236     0    0.646   1.301    15.737    0.000    0.000
LGA    Q   213_A      Q   213_A    14.042     0    0.587   0.907    18.658    0.000    0.000
LGA    E   214_A      E   214_A    12.951     0    0.060   1.101    15.755    0.000    0.000
LGA    L   215_A      L   215_A    16.785     0    0.067   0.719    23.010    0.000    0.000
LGA    Q   216_A      Q   216_A    16.524     0    0.250   0.914    21.906    0.000    0.000
LGA    L   217_A      L   217_A    10.898     0    0.280   1.347    12.705    0.000    0.238
LGA    N   218_A      N   218_A    11.139     0    0.535   1.258    12.795    0.000    0.000
LGA    Q   219_A      Q   219_A     9.987     0    0.085   1.257    14.751    0.833    0.370
LGA    E   220_A      E   220_A     9.461     0    0.304   0.747    11.263    0.833    0.847
LGA    A   221_A      A   221_A     9.786     0    0.267   0.267    12.232    0.476    0.476
LGA    S   222_A      S   222_A    10.228     0    0.138   0.810    13.670    0.357    0.317
LGA    L   223_A      L   223_A    15.510     0    0.084   1.167    19.068    0.000    0.000
LGA    L   224_A      L   224_A    18.960     0    0.666   0.526    19.692    0.000    0.000
LGA    V   225_A      V   225_A    21.646     0    0.581   1.406    24.963    0.000    0.000
LGA    S   226_A      S   226_A    24.255     0    0.192   0.637    27.513    0.000    0.000
LGA    N   227_A      N   227_A    26.245     0    0.546   1.031    28.123    0.000    0.000
LGA    L   228_A      L   228_A    27.751     0    0.141   0.275    30.662    0.000    0.000
LGA    E   229_A      E   229_A    29.875     0    0.064   1.041    32.028    0.000    0.000
LGA    Q   230_A      Q   230_A    30.574     0    0.124   1.344    32.755    0.000    0.000
LGA    E   231_A      E   231_A    31.930     0    0.064   1.146    35.028    0.000    0.000
LGA    R   232_A      R   232_A    35.079     0    0.068   1.579    40.377    0.000    0.000
LGA    K   233_A      K   233_A    36.587     0    0.004   0.241    39.008    0.000    0.000
LGA    I   234_A      I   234_A    37.931     0    0.067   0.683    40.612    0.000    0.000
LGA    N   235_A      N   235_A    40.302     0    0.071   0.712    43.172    0.000    0.000
LGA    L   236_A      L   236_A    42.273     0    0.074   1.322    44.785    0.000    0.000
LGA    K   237_A      K   237_A    43.336     0    0.135   0.964    45.580    0.000    0.000
LGA    Y   238_A      Y   238_A    45.048     0    0.072   0.397    47.841    0.000    0.000
LGA    E   239_A      E   239_A    47.703     0    0.473   0.732    50.277    0.000    0.000
LGA    K   240_A      K   240_A    55.048     0    0.418   1.038    56.657    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      239     956    956  100.00    1967   1967  100.00               239
SUMMARY(RMSD_GDC):    12.704         12.749                 13.220           28.637   24.747

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  251  239    4.0     90    2.56    32.322    27.572     3.383

LGA_LOCAL      RMSD:   2.560  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.005  Number of assigned atoms:  239 
Std_ASGN_ATOMS RMSD:  12.704  Standard rmsd on all 239 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.254779 * X  +   0.933710 * Y  +   0.251540 * Z  + -295.781982
  Y_new =  -0.925799 * X  +  -0.160406 * Y  +  -0.342296 * Z  + 152.567245
  Z_new =  -0.279257 * X  +  -0.320086 * Y  +   0.905296 * Z  + -201.615326 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.839348  0.283020 -0.339852   [DEG: -105.3869   16.2159  -19.4721 ]
ZXZ:  0.633742  0.438720 -2.424212   [DEG:   36.3107   25.1368 -138.8971 ]
 
# END of job
