
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      34_B - 117_B       4.91    19.04
  LONGEST_CONTINUOUS_SEGMENT:    84      35_B - 118_B       4.98    19.05
  LCS_AVERAGE:     30.33

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      53_B - 113_B       1.95    19.95
  LCS_AVERAGE:     18.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      63_B - 111_B       1.00    20.08
  LCS_AVERAGE:     12.59

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     P     4_B     P     4_B      4   11   20      3    4    4    7   13   15   16   17   22   26   30   33   36   38   38   40   45   46   49   52 
LCS_GDT     D     5_B     D     5_B      4   14   20      3    4    4    8   13   15   16   17   22   23   30   34   35   38   40   42   45   47   49   52 
LCS_GDT     F     6_B     F     6_B      4   14   20      3    4    6   10   13   15   16   17   18   27   31   34   35   35   43   45   48   49   52   54 
LCS_GDT     T     7_B     T     7_B      4   14   20      3    4    5    8   13   15   16   17   18   19   22   25   27   39   42   45   48   49   52   54 
LCS_GDT     G     8_B     G     8_B     11   14   20      8    9   11   11   12   14   16   17   18   19   21   22   25   29   33   37   41   47   51   54 
LCS_GDT     A     9_B     A     9_B     11   14   20      8    9   11   11   13   15   16   17   18   19   21   25   29   33   35   41   43   57   61   66 
LCS_GDT     R    10_B     R    10_B     11   14   20      8    9   11   11   13   15   16   17   18   19   21   24   28   32   34   39   44   57   61   66 
LCS_GDT     E    11_B     E    11_B     11   14   20      8    9   11   11   13   15   16   17   18   19   21   22   24   29   32   35   40   44   48   54 
LCS_GDT     R    12_B     R    12_B     11   14   20      7    9   11   11   13   15   16   17   18   19   21   27   30   33   36   41   42   46   55   61 
LCS_GDT     F    13_B     F    13_B     11   14   20      8    9   11   11   13   15   16   17   18   19   21   27   30   33   38   41   46   49   59   64 
LCS_GDT     L    14_B     L    14_B     11   14   20      8    9   11   11   13   15   16   17   18   19   20   22   24   29   32   38   40   44   47   54 
LCS_GDT     A    15_B     A    15_B     11   14   20      8    9   11   11   13   15   16   17   18   19   20   22   26   29   32   35   39   43   47   53 
LCS_GDT     G    16_B     G    16_B     11   14   20      8    9   11   11   13   15   16   17   18   19   20   24   27   32   33   41   46   49   55   61 
LCS_GDT     D    17_B     D    17_B     11   14   20      4    5   11   11   13   15   16   17   18   22   23   27   31   34   40   44   50   57   65   79 
LCS_GDT     V    18_B     V    18_B     11   14   20      4    8   11   11   13   15   16   17   18   26   27   29   47   51   55   72   97  110  118  125 
LCS_GDT     T    19_B     T    19_B      3   13   20      0    3    6    8   11   13   15   16   18   22   23   27   32   37   45   51   65   83  104  119 
LCS_GDT     I    20_B     I    20_B      3    3   20      0    3    5    8   10   11   13   16   18   19   22   25   30   35   41   45   56   64   74   86 
LCS_GDT     V    21_B     V    21_B      3    3   20      0    3    3    8   10   11   13   16   18   19   20   24   30   33   40   48   57   82   95  103 
LCS_GDT     L    22_B     L    22_B      3    3   20      3    3    3    4    5    8   13   16   17   19   19   21   26   29   32   41   52   60   68   73 
LCS_GDT     L    23_B     L    23_B      3    4   20      3    3    3    4    5    5    8   11   13   14   18   21   22   24   25   30   32   39   42   46 
LCS_GDT     I    24_B     I    24_B      3    4   20      3    3    3    4    4    8   10   11   12   17   19   20   21   24   25   28   33   39   46   50 
LCS_GDT     A    25_B     A    25_B      3    5   20      3    3    4    5    6    8   10   11   12   17   19   20   21   24   25   27   30   39   42   45 
LCS_GDT     E    26_B     E    26_B      3    6   20      3    3    4    5    5    8   10   11   12   17   19   20   21   24   25   27   30   33   35   38 
LCS_GDT     S    27_B     S    27_B      4    6   19      4    4    4    5    6    8   10   11   12   17   19   20   21   22   24   26   27   30   34   36 
LCS_GDT     H    28_B     H    28_B      4    6   19      4    4    4    5    6    8   10   11   12   17   19   21   22   23   25   26   29   33   37   44 
LCS_GDT     D    29_B     D    29_B      4    6   19      4    4    5    5    6    8   10   11   12   17   19   21   22   23   25   30   31   35   43   49 
LCS_GDT     A    30_B     A    30_B      4    6   19      4    4    5    5    6    8   10   11   13   17   19   21   22   23   25   32   36   74   84   90 
LCS_GDT     P    31_B     P    31_B      4    6   19      3    3    4    5    6    8   10   11   13   17   33   46   62   76   87   97  106  112  121  125 
LCS_GDT     Y    32_B     Y    32_B      4    6   82      3    3    4    5    6    8   10   15   22   34   42   61   84   92  102  106  113  118  122  125 
LCS_GDT     R    33_B     R    33_B      4    6   83      3    3    4    5    6    8    9   12   16   22   26   34   46   76   90   99  106  114  121  125 
LCS_GDT     L    34_B     L    34_B      4    6   84      3    3    4    5    6   21   37   43   50   58   68   75   83   92   99  105  110  118  121  125 
LCS_GDT     A    35_B     A    35_B      3    6   84      4    4   17   28   34   39   44   52   64   69   75   82   88   95  101  109  115  119  122  125 
LCS_GDT     N    36_B     N    36_B      3    6   84      3    3    8    9   19   38   46   59   70   78   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     P    37_B     P    37_B      5    6   84      3    4    8   11   25   40   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    38_B     E    38_B      5    5   84      3    4    5   11   15   20   33   46   62   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     D    39_B     D    39_B      5    5   84      3    4    5    5   15   29   33   37   68   82   88   94  103  106  112  114  117  119  122  124 
LCS_GDT     P    40_B     P    40_B      5   26   84      3    4    5   11   26   29   33   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    41_B     E    41_B      5   29   84      3    4    5   17   26   29   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    42_B     A    42_B     21   30   84      3    4   19   26   34   40   50   58   69   80   88   97  103  106  112  114  117  119  122  124 
LCS_GDT     D    43_B     D    43_B     23   30   84      4    6   17   28   33   37   43   52   62   72   83   95  101  106  112  114  117  119  122  125 
LCS_GDT     L    44_B     L    44_B     23   30   84      4   19   24   28   33   38   46   57   65   78   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     S    45_B     S    45_B     23   30   84     14   19   24   28   33   38   47   57   65   75   87   95  101  106  112  114  117  119  122  125 
LCS_GDT     D    46_B     D    46_B     23   30   84     14   19   24   28   33   39   47   57   65   78   88   96  103  106  112  114  117  119  122  125 
LCS_GDT     E    47_B     E    47_B     23   30   84     14   19   24   28   33   38   47   56   65   75   87   95  101  106  112  114  117  119  122  125 
LCS_GDT     Q    48_B     Q    48_B     23   30   84     14   19   24   28   33   38   47   56   65   78   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    49_B     L    49_B     23   30   84     14   19   24   28   33   39   47   59   71   80   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    50_B     E    50_B     23   30   84     14   19   24   28   33   39   47   59   71   79   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     R    51_B     R    51_B     23   30   84     14   19   24   28   33   39   47   58   67   79   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    52_B     A    52_B     23   60   84     14   19   24   28   33   40   50   62   73   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    53_B     L    53_B     23   61   84     14   19   24   28   36   51   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    54_B     A    54_B     23   61   84     14   19   24   28   33   45   55   62   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    55_B     A    55_B     23   61   84     14   19   24   31   39   51   57   63   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     Y    56_B     Y    56_B     23   61   84     14   19   29   44   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    57_B     L    57_B     23   61   84     14   19   30   49   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     T    58_B     T    58_B     23   61   84     14   19   36   50   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    59_B     L    59_B     23   61   84      8   20   40   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     V    60_B     V    60_B     42   61   84     10   29   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    61_B     E    61_B     43   61   84     12   25   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     T    62_B     T    62_B     46   61   84     12   29   45   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    63_B     L    63_B     49   61   84     12   24   43   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     F    64_B     F    64_B     49   61   84     12   29   46   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     P    65_B     P    65_B     49   61   84     12   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    66_B     E    66_B     49   61   84      5   29   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    67_B     L    67_B     49   61   84     12   31   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     Y    68_B     Y    68_B     49   61   84     12   31   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    69_B     A    69_B     49   61   84     12   32   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    70_B     E    70_B     49   61   84     12   29   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     M    71_B     M    71_B     49   61   84     12   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     K    72_B     K    72_B     49   61   84     12   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    73_B     A    73_B     49   61   84     12   31   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    74_B     A    74_B     49   61   84     12   32   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    75_B     L    75_B     49   61   84     12   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    76_B     A    76_B     49   61   84      3   21   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    77_B     A    77_B     49   61   84      4   26   39   50   53   56   57   63   73   82   88   93  103  106  112  114  117  119  122  125 
LCS_GDT     A    78_B     A    78_B     49   61   84     11   33   47   51   55   56   57   64   73   82   88   94  103  106  112  114  117  119  122  125 
LCS_GDT     K    79_B     K    79_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     T    80_B     T    80_B     49   61   84     13   33   47   51   55   56   57   64   73   82   88   93  103  106  112  114  117  119  122  125 
LCS_GDT     P    81_B     P    81_B     49   61   84     11   33   47   51   55   56   57   64   73   82   88   93  103  106  112  114  117  119  122  125 
LCS_GDT     E    82_B     E    82_B     49   61   84     12   33   47   51   55   56   57   64   73   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    83_B     E    83_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     K    84_B     K    84_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     I    85_B     I    85_B     49   61   84     12   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    86_B     A    86_B     49   61   84     12   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     V    87_B     V    87_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     F    88_B     F    88_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     R    89_B     R    89_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    90_B     E    90_B     49   61   84     12   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     Y    91_B     Y    91_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     N    92_B     N    92_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    93_B     A    93_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     R    94_B     R    94_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     F    95_B     F    95_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L    96_B     L    96_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A    97_B     A    97_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E    98_B     E    98_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     F    99_B     F    99_B     49   61   84     10   31   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     D   100_B     D   100_B     49   61   84      8   31   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   101_B     A   101_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L   102_B     L   102_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     I   103_B     I   103_B     49   61   84      8   32   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     D   104_B     D   104_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     Q   105_B     Q   105_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   106_B     A   106_B     49   61   84     13   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     F   107_B     F   107_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   108_B     A   108_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     R   109_B     R   109_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L   110_B     L   110_B     49   61   84     10   33   47   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     K   111_B     K   111_B     49   61   84     10   28   45   51   55   56   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   112_B     A   112_B     39   61   84      8   18   26   45   54   56   57   63   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     D   113_B     D   113_B     11   61   84      4   17   26   32   37   53   57   58   65   75   82   93  100  105  112  114  117  119  122  125 
LCS_GDT     S   114_B     S   114_B     21   60   84      6   18   26   32   37   41   49   58   65   75   82   91  100  105  112  114  117  119  122  125 
LCS_GDT     L   115_B     L   115_B     21   58   84      8   18   26   32   37   41   44   46   54   74   82   90  100  105  112  114  117  119  122  125 
LCS_GDT     T   116_B     T   116_B     21   43   84      6   18   26   32   37   41   44   46   49   52   60   66   73   85   91  107  113  118  122  125 
LCS_GDT     L   117_B     L   117_B     21   43   84      6   17   26   32   37   41   44   46   49   50   55   60   65   73   83   90  106  116  121  125 
LCS_GDT     K   118_B     K   118_B     21   43   84      6   17   24   32   37   41   44   46   49   50   52   53   61   66   71   78   84   90  100  112 
LCS_GDT     I   119_B     I   119_B     21   43   74      6   17   24   32   37   41   44   46   49   50   52   53   54   56   63   67   79   82   89   95 
LCS_GDT     H   120_B     H   120_B     21   43   66      6   13   23   32   37   41   44   46   49   50   52   53   54   56   58   62   65   72   80   86 
LCS_GDT     L   121_B     L   121_B     21   43   66      6   12   23   32   37   41   44   46   49   50   52   53   54   56   57   60   65   69   74   82 
LCS_GDT     S   122_B     S   122_B     21   43   66      3   17   24   32   37   41   44   46   49   50   52   53   54   56   57   59   62   65   73   75 
LCS_GDT     Q   123_B     Q   123_B     21   43   66      3   15   24   32   37   41   44   46   49   50   52   53   54   56   57   58   62   65   67   72 
LCS_GDT     G   124_B     G   124_B     21   43   66      3   17   24   30   37   41   44   46   49   50   51   53   54   56   57   58   62   63   66   71 
LCS_GDT     K   125_B     K   125_B     21   43   66      6    9   23   29   35   41   44   46   49   50   52   53   54   56   57   60   62   68   79   84 
LCS_GDT     G   126_B     G   126_B     21   43   66      6   17   24   32   37   41   44   46   49   50   52   53   54   56   58   62   65   74   81   84 
LCS_GDT     S   127_B     S   127_B     21   43   66      6   17   24   32   37   41   44   46   49   50   52   53   54   56   60   66   77   82   89   98 
LCS_GDT     Y   128_B     Y   128_B     21   43   66      6   17   24   32   37   41   44   46   49   50   52   56   61   66   74   84   93  103  111  125 
LCS_GDT     E   129_B     E   129_B     21   43   66      6   17   24   32   37   41   44   46   49   52   57   61   70   78   85   95  105  112  121  125 
LCS_GDT     I   130_B     I   130_B     21   43   66      6   17   26   32   37   41   44   47   51   58   64   74   84   98  104  113  117  119  122  125 
LCS_GDT     I   131_B     I   131_B     22   43   66      8   18   26   32   37   41   44   48   51   66   71   82   89  100  110  113  117  119  122  125 
LCS_GDT     F   132_B     F   132_B     24   43   66      6   18   26   32   37   41   44   53   65   76   87   97  103  106  112  114  117  119  122  125 
LCS_GDT     P   133_B     P   133_B     24   43   66      8   18   26   32   37   41   44   58   68   78   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     P   134_B     P   134_B     24   43   66      6   18   26   32   37   41   47   60   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E   135_B     E   135_B     24   43   66      8   18   26   32   37   43   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     V   136_B     V   136_B     24   43   66      8   18   26   32   37   41   55   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     Q   137_B     Q   137_B     24   43   66      6   18   26   32   37   41   47   59   71   81   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   138_B     A   138_B     24   43   66      8   18   26   32   37   41   48   62   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     D   139_B     D   139_B     24   43   66      8   18   26   32   37   41   52   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     P   140_B     P   140_B     24   43   66      6   18   25   31   36   41   48   62   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E   141_B     E   141_B     24   43   66      8   18   26   31   36   41   48   62   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     R   142_B     R   142_B     24   43   66      8   18   26   32   37   46   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   143_B     A   143_B     24   43   66      8   18   26   32   37   41   48   63   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   144_B     A   144_B     24   43   66      8   18   26   31   37   41   48   60   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   145_B     A   145_B     24   43   66      8   18   26   32   37   41   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     I   146_B     I   146_B     24   43   66      8   18   26   32   37   41   57   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     E   147_B     E   147_B     24   43   66      8   18   26   32   37   41   47   59   71   81   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     A   148_B     A   148_B     24   43   66      8   18   26   32   37   41   48   60   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L   149_B     L   149_B     24   43   66      5   18   25   32   37   41   55   64   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     W   150_B     W   150_B     24   43   66      8   18   24   31   37   41   46   59   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     K   151_B     K   151_B     24   43   66      5   17   24   31   36   40   44   54   66   76   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     P   152_B     P   152_B     24   43   66      4   17   24   31   36   40   48   60   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     T   153_B     T   153_B     24   42   66      6   18   24   31   36   40   47   62   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L   154_B     L   154_B     24   36   66     11   17   24   31   36   39   44   52   65   76   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     D   155_B     D   155_B     24   36   66     11   18   24   31   36   39   44   54   65   76   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     Q   156_B     Q   156_B     21   36   66     11   17   22   28   36   39   47   62   76   82   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L   157_B     L   157_B     21   36   66     11   17   19   28   36   39   44   52   65   76   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L   158_B     L   158_B     21   36   66     11   16   19   28   36   39   44   48   54   71   79   89   96  105  112  114  117  119  122  125 
LCS_GDT     A   159_B     A   159_B     21   36   66     11   17   21   28   36   39   44   56   66   79   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     V   160_B     V   160_B     21   36   66     11   17   19   25   34   39   44   56   66   79   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     L   161_B     L   161_B     21   36   66     11   17   19   24   34   39   44   48   58   69   79   88   95  104  110  114  117  119  122  125 
LCS_GDT     Q   162_B     Q   162_B     21   36   66     11   17   19   28   34   39   44   48   65   71   80   89   98  105  112  114  117  119  122  125 
LCS_GDT     E   163_B     E   163_B     21   36   66     11   17   19   25   34   39   46   56   66   79   88   97  103  106  112  114  117  119  122  125 
LCS_GDT     K   164_B     K   164_B     21   36   66     11   17   19   23   26   35   44   48   59   72   82   95  101  106  112  114  117  119  122  125 
LCS_GDT     H   165_B     H   165_B     21   36   66     11   17   19   24   34   39   44   48   54   63   74   84   91  100  104  111  117  119  122  125 
LCS_GDT     K   166_B     K   166_B     21   36   66      4   12   18   25   34   39   44   54   65   74   83   95  101  106  112  114  117  119  122  125 
LCS_GDT     G   167_B     G   167_B     21   36   66      4   17   19   25   34   39   44   48   54   63   73   84   88   97  103  109  115  119  122  125 
LCS_GDT     K   168_B     K   168_B     21   35   65     11   17   19   24   34   39   44   48   54   61   70   76   85   92   98  106  112  117  122  125 
LCS_GDT     P   169_B     P   169_B     21   35   64      3   17   19   23   33   39   44   48   51   58   68   75   83   90   96  102  108  114  121  125 
LCS_GDT     A   170_B     A   170_B     21   29   49      3   12   13   20   22   25   32   42   49   53   57   61   70   78   85   94  102  105  111  120 
LCS_GDT     T   171_B     T   171_B      4   34   49      3    3    6   15   21   27   31   33   42   52   55   61   75   81   87   95  102  106  113  121 
LCS_GDT     T   172_B     T   172_B      4   34   49      4    4   11   19   25   31   32   33   34   34   35   37   37   40   48   62   72   82   88   99 
LCS_GDT     V   173_B     V   173_B      4   34   49      4    4    7   12   20   26   32   33   34   34   35   37   39   40   43   45   67   94  102  106 
LCS_GDT     T   174_B     T   174_B      5   34   49      4    5    7    7   30   31   32   33   34   34   35   37   39   40   43   45   48   49   53   65 
LCS_GDT     Y   175_B     Y   175_B     29   34   49      4    6   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   54   56   60 
LCS_GDT     E   176_B     E   176_B     29   34   42      3    5   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     I   177_B     I   177_B     29   34   42      4   17   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     S   178_B     S   178_B     29   34   42     11   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     A   179_B     A   179_B     29   34   42      9   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     E   180_B     E   180_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     T   181_B     T   181_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     L   182_B     L   182_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     R   183_B     R   183_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     A   184_B     A   184_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     A   185_B     A   185_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   46   52   60   63   69 
LCS_GDT     V   186_B     V   186_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   44   48   54   59   62   67   70 
LCS_GDT     A   187_B     A   187_B     29   34   42     11   26   27   29   30   31   32   33   34   34   35   37   39   40   43   46   53   60   63   69 
LCS_GDT     A   188_B     A   188_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   57   69 
LCS_GDT     L   189_B     L   189_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   46   54   60   63   69 
LCS_GDT     A   190_B     A   190_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   46   54   60   63   69 
LCS_GDT     R   191_B     R   191_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     A   192_B     A   192_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     A   193_B     A   193_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     E   194_B     E   194_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     A   195_B     A   195_B     29   34   42     13   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     A   196_B     A   196_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     L   197_B     L   197_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     R   198_B     R   198_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     R   199_B     R   199_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     K   200_B     K   200_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     V   201_B     V   201_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     G   202_B     G   202_B     29   34   42     12   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     S   203_B     S   203_B     29   34   42      4   26   27   29   30   31   32   33   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     L   204_B     L   204_B     28   34   42      4    4    7   13   27   31   32   32   34   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     E   205_B     E   205_B      4   34   42      4    4    4    4    6    7   12   14   20   31   34   35   38   40   43   45   48   49   52   54 
LCS_GDT     S   206_B     S   206_B      4   32   42      4    4    4    4    6   13   24   30   32   34   35   37   39   40   43   45   48   49   52   54 
LCS_GDT     S   207_B     S   207_B      4    5   42      3    3    4    4    6    7    8   10   11   17   25   36   36   40   43   45   48   49   52   54 
LCS_GDT     G   208_B     G   208_B      4    5   42      0    3    4    4    6    7    7   10   11   11   13   16   16   21   27   30   37   39   48   50 
LCS_GDT     L   209_B     L   209_B      3    5   42      0    3    3    4    5    5    5   10   11   13   15   16   18   22   27   34   37   41   48   50 
LCS_GDT     E   210_B     E   210_B      3    5   42      1    3    3    4    5    6    8   10   11   13   15   16   18   21   27   30   33   36   43   44 
LCS_AVERAGE  LCS_A:  20.57  (  12.59   18.80   30.33 )

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     14     33     47     51     55     56     57     64     76     82     88     97    103    106    112    114    117    119    122    125 
GDT PERCENT_AT   6.76  15.94  22.71  24.64  26.57  27.05  27.54  30.92  36.71  39.61  42.51  46.86  49.76  51.21  54.11  55.07  56.52  57.49  58.94  60.39
GDT RMS_LOCAL    0.19   0.68   0.92   1.03   1.27   1.32   1.39   2.51   3.25   3.33   3.55   4.02   4.17   4.29   4.57   4.65   4.83   4.97   5.19   5.60
GDT RMS_ALL_AT  20.39  20.05  20.07  20.07  20.03  20.04  20.03  19.54  19.15  19.26  19.18  18.88  18.95  18.89  18.86  18.83  18.80  18.77  18.74  18.69

# Checking swapping
#   possible swapping detected:  F     6_B      F     6_B
#   possible swapping detected:  F    13_B      F    13_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  E    70_B      E    70_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  F   107_B      F   107_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   180_B      E   180_B
#   possible swapping detected:  E   194_B      E   194_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    30.731     0    0.049   0.064    31.522    0.000    0.000
LGA    D     5_B      D     5_B    31.389     3    0.114   0.129    33.822    0.000    0.000
LGA    F     6_B      F     6_B    26.136     0    0.157   1.240    28.181    0.000    0.000
LGA    T     7_B      T     7_B    30.693     0    0.603   1.243    35.030    0.000    0.000
LGA    G     8_B      G     8_B    27.684     0    0.357   0.357    28.407    0.000    0.000
LGA    A     9_B      A     9_B    22.233     0    0.021   0.039    24.026    0.000    0.000
LGA    R    10_B      R    10_B    22.816     6    0.049   0.050    24.362    0.000    0.000
LGA    E    11_B      E    11_B    27.501     0    0.027   1.463    33.068    0.000    0.000
LGA    R    12_B      R    12_B    25.110     0    0.066   0.925    25.847    0.000    0.000
LGA    F    13_B      F    13_B    22.061     0    0.072   1.193    23.714    0.000    0.000
LGA    L    14_B      L    14_B    26.403     3    0.062   0.062    28.202    0.000    0.000
LGA    A    15_B      A    15_B    29.033     0    0.100   0.101    29.507    0.000    0.000
LGA    G    16_B      G    16_B    25.420     0    0.125   0.125    26.244    0.000    0.000
LGA    D    17_B      D    17_B    21.685     0    0.516   0.496    23.164    0.000    0.000
LGA    V    18_B      V    18_B    16.406     0    0.646   0.552    18.529    0.000    0.000
LGA    T    19_B      T    19_B    18.672     0    0.639   1.058    21.605    0.000    0.000
LGA    I    20_B      I    20_B    19.057     0    0.568   0.923    19.646    0.000    0.000
LGA    V    21_B      V    21_B    18.025     0    0.536   0.625    18.250    0.000    0.000
LGA    L    22_B      L    22_B    20.593     0    0.599   1.033    24.064    0.000    0.000
LGA    L    23_B      L    23_B    24.457     0    0.086   0.140    28.459    0.000    0.000
LGA    I    24_B      I    24_B    22.088     0    0.121   0.573    22.967    0.000    0.000
LGA    A    25_B      A    25_B    23.529     0    0.510   0.537    25.138    0.000    0.000
LGA    E    26_B      E    26_B    27.283     0    0.181   1.350    30.963    0.000    0.000
LGA    S    27_B      S    27_B    29.965     0    0.683   0.630    30.712    0.000    0.000
LGA    H    28_B      H    28_B    26.987     0    0.646   1.302    29.316    0.000    0.000
LGA    D    29_B      D    29_B    23.497     0    0.280   1.226    25.958    0.000    0.000
LGA    A    30_B      A    30_B    21.422     0    0.615   0.614    22.751    0.000    0.000
LGA    P    31_B      P    31_B    17.827     0    0.668   0.742    18.656    0.000    0.000
LGA    Y    32_B      Y    32_B    14.642     0    0.145   0.466    22.709    0.000    0.000
LGA    R    33_B      R    33_B    17.508     0    0.485   0.829    26.371    0.000    0.000
LGA    L    34_B      L    34_B    16.226     0    0.655   0.613    17.682    0.000    0.000
LGA    A    35_B      A    35_B    13.791     0    0.585   0.589    14.445    0.000    0.000
LGA    N    36_B      N    36_B     7.367     3    0.567   0.517     9.632   17.024    9.762
LGA    P    37_B      P    37_B     5.025     0    0.459   0.423     7.033   20.952   18.231
LGA    E    38_B      E    38_B     6.092     4    0.036   0.035     6.766   19.524   10.582
LGA    D    39_B      D    39_B     5.019     0    0.487   1.164     6.590   28.810   26.548
LGA    P    40_B      P    40_B     4.701     0    0.492   0.677     4.759   34.286   33.878
LGA    E    41_B      E    41_B     4.401     0    0.513   0.730     8.021   32.857   21.852
LGA    A    42_B      A    42_B     7.381     0    0.628   0.563     9.716    8.690    7.238
LGA    D    43_B      D    43_B    11.411     0    0.372   1.116    15.132    0.357    0.179
LGA    L    44_B      L    44_B    10.175     0    0.020   0.131    10.398    0.000    0.774
LGA    S    45_B      S    45_B    11.311     0    0.033   0.179    12.019    0.119    0.079
LGA    D    46_B      D    46_B    10.552     0    0.071   1.071    11.119    0.119    0.060
LGA    E    47_B      E    47_B    11.229     0    0.012   0.821    12.917    0.119    0.053
LGA    Q    48_B      Q    48_B    10.090     0    0.023   0.167    11.726    1.071    0.476
LGA    L    49_B      L    49_B     7.978     0    0.017   1.034    10.138    7.619    5.952
LGA    E    50_B      E    50_B     8.212     4    0.012   0.014     9.137    5.357    2.540
LGA    R    51_B      R    51_B     8.556     0    0.019   1.215    17.128    5.714    2.208
LGA    A    52_B      A    52_B     6.570     0    0.009   0.013     7.444   19.048   17.905
LGA    L    53_B      L    53_B     4.980     0    0.033   0.062     5.901   30.357   29.048
LGA    A    54_B      A    54_B     5.904     0    0.040   0.040     6.975   25.119   22.762
LGA    A    55_B      A    55_B     5.121     0    0.008   0.012     5.722   33.214   30.857
LGA    Y    56_B      Y    56_B     3.185     0    0.038   0.092     3.950   53.810   61.905
LGA    L    57_B      L    57_B     3.007     0    0.033   0.404     4.490   53.571   47.679
LGA    T    58_B      T    58_B     3.035     0    0.016   0.136     3.965   55.476   50.272
LGA    L    59_B      L    59_B     2.501     0    0.042   0.901     4.555   60.952   54.940
LGA    V    60_B      V    60_B     2.085     0    0.044   1.151     4.191   64.762   61.973
LGA    E    61_B      E    61_B     2.240     0    0.019   0.543     4.370   64.762   58.360
LGA    T    62_B      T    62_B     2.377     0    0.009   0.257     3.021   64.762   62.653
LGA    L    63_B      L    63_B     2.393     0    0.084   0.367     3.696   62.857   57.381
LGA    F    64_B      F    64_B     1.923     0    0.022   0.267     3.148   72.857   65.714
LGA    P    65_B      P    65_B     1.248     0    0.053   0.066     1.516   81.429   80.204
LGA    E    66_B      E    66_B     1.340     0    0.033   0.888     3.600   81.429   70.053
LGA    L    67_B      L    67_B     1.264     0    0.052   1.325     5.122   81.429   70.417
LGA    Y    68_B      Y    68_B     1.293     0    0.081   0.133     3.599   85.952   66.984
LGA    A    69_B      A    69_B     1.133     0    0.029   0.033     1.407   83.690   83.238
LGA    E    70_B      E    70_B     1.514     0    0.030   0.647     3.388   77.143   70.423
LGA    M    71_B      M    71_B     1.399     0    0.029   0.991     3.539   81.429   71.667
LGA    K    72_B      K    72_B     0.777     0    0.020   0.841     2.427   90.476   83.651
LGA    A    73_B      A    73_B     1.245     0    0.038   0.041     1.454   81.429   81.429
LGA    A    74_B      A    74_B     1.836     0    0.038   0.042     2.104   72.976   71.333
LGA    L    75_B      L    75_B     1.266     0    0.263   0.463     2.600   73.214   75.179
LGA    A    76_B      A    76_B     1.200     0    0.512   0.491     3.079   75.833   75.238
LGA    A    77_B      A    77_B     3.358     0    0.585   0.578     5.779   63.333   54.952
LGA    A    78_B      A    78_B     2.474     0    0.053   0.054     2.739   60.952   61.714
LGA    K    79_B      K    79_B     1.881     0    0.090   1.007     2.851   70.833   67.513
LGA    T    80_B      T    80_B     2.372     0    0.047   0.896     3.583   64.762   66.735
LGA    P    81_B      P    81_B     2.645     0    0.035   0.059     3.040   60.952   58.299
LGA    E    82_B      E    82_B     2.094     4    0.012   0.018     2.194   68.810   37.778
LGA    E    83_B      E    83_B     1.912     4    0.013   0.014     1.970   72.857   40.476
LGA    K    84_B      K    84_B     2.053     0    0.021   0.446     3.382   68.810   61.587
LGA    I    85_B      I    85_B     1.925     0    0.075   1.097     3.406   72.857   73.274
LGA    A    86_B      A    86_B     1.553     0    0.012   0.021     1.736   75.000   76.286
LGA    V    87_B      V    87_B     1.518     0    0.036   0.100     1.575   77.143   77.755
LGA    F    88_B      F    88_B     1.445     0    0.009   0.219     1.555   81.429   79.870
LGA    R    89_B      R    89_B     1.516     0    0.015   1.483     8.916   75.000   50.606
LGA    E    90_B      E    90_B     1.679     0    0.011   0.153     2.655   72.857   67.566
LGA    Y    91_B      Y    91_B     1.223     0    0.021   0.104     1.410   81.429   81.429
LGA    N    92_B      N    92_B     1.401     0    0.024   1.024     2.408   81.429   80.595
LGA    A    93_B      A    93_B     1.264     0    0.057   0.064     1.372   81.429   81.429
LGA    R    94_B      R    94_B     0.749     0    0.044   1.306     4.918   90.476   75.195
LGA    F    95_B      F    95_B     0.646     0    0.044   1.279     6.697   88.214   58.831
LGA    L    96_B      L    96_B     1.437     0    0.032   1.328     4.863   79.286   63.512
LGA    A    97_B      A    97_B     1.023     0    0.049   0.054     1.099   83.690   85.048
LGA    E    98_B      E    98_B     0.795     0    0.015   0.806     3.055   85.952   72.857
LGA    F    99_B      F    99_B     1.488     0    0.111   0.294     2.084   75.119   83.247
LGA    D   100_B      D   100_B     1.783     0    0.021   0.358     2.609   75.000   69.940
LGA    A   101_B      A   101_B     0.960     0    0.031   0.034     1.773   81.548   83.333
LGA    L   102_B      L   102_B     1.902     0    0.040   0.699     3.084   68.810   66.964
LGA    I   103_B      I   103_B     2.197     0    0.024   0.726     2.784   66.786   64.821
LGA    D   104_B      D   104_B     1.660     0    0.005   0.367     2.304   72.857   69.821
LGA    Q   105_B      Q   105_B     1.870     0    0.043   1.139     5.091   70.833   62.646
LGA    A   106_B      A   106_B     2.035     0    0.026   0.033     2.057   66.786   66.381
LGA    F   107_B      F   107_B     2.131     0    0.047   0.666     4.029   64.762   56.277
LGA    A   108_B      A   108_B     2.191     0    0.052   0.063     2.203   64.762   64.762
LGA    R   109_B      R   109_B     2.289     0    0.018   1.078     5.771   64.762   56.926
LGA    L   110_B      L   110_B     2.394     3    0.127   0.152     2.412   64.762   40.476
LGA    K   111_B      K   111_B     2.809     2    0.049   0.509     3.085   53.571   45.397
LGA    A   112_B      A   112_B     3.877     0    0.615   0.580     4.994   39.048   37.524
LGA    D   113_B      D   113_B     6.557     0    0.133   0.452     7.735   12.976   11.548
LGA    S   114_B      S   114_B     7.768     0    0.601   0.849     9.904    6.190    5.000
LGA    L   115_B      L   115_B     8.636     0    0.089   0.508    10.688    1.905   10.595
LGA    T   116_B      T   116_B    12.275     0    0.060   0.089    14.564    0.000    0.000
LGA    L   117_B      L   117_B    13.872     0    0.050   0.783    16.160    0.000    0.000
LGA    K   118_B      K   118_B    17.771     0    0.028   0.762    20.665    0.000    0.000
LGA    I   119_B      I   119_B    20.050     0    0.064   0.553    22.448    0.000    0.000
LGA    H   120_B      H   120_B    23.989     0    0.052   0.144    24.948    0.000    0.000
LGA    L   121_B      L   121_B    25.760     0    0.116   0.878    28.502    0.000    0.000
LGA    S   122_B      S   122_B    28.874     0    0.092   0.579    30.158    0.000    0.000
LGA    Q   123_B      Q   123_B    31.005     4    0.168   0.183    31.656    0.000    0.000
LGA    G   124_B      G   124_B    30.157     0    0.636   0.636    30.491    0.000    0.000
LGA    K   125_B      K   125_B    26.039     4    0.496   0.541    28.095    0.000    0.000
LGA    G   126_B      G   126_B    23.983     0    0.073   0.073    24.706    0.000    0.000
LGA    S   127_B      S   127_B    21.666     0    0.092   0.497    22.908    0.000    0.000
LGA    Y   128_B      Y   128_B    17.759     0    0.086   1.091    19.063    0.000    0.000
LGA    E   129_B      E   129_B    16.161     0    0.115   0.337    18.916    0.000    0.000
LGA    I   130_B      I   130_B    12.363     0    0.084   0.257    13.722    0.000    0.060
LGA    I   131_B      I   131_B    11.464     0    0.038   0.611    14.890    0.119    0.060
LGA    F   132_B      F   132_B     8.363     0    0.063   0.638     9.540    3.214    5.281
LGA    P   133_B      P   133_B     7.331     0    0.084   0.245     7.556   10.952   12.517
LGA    P   134_B      P   134_B     6.931     0    0.030   0.337     7.338   15.238   13.469
LGA    E   135_B      E   135_B     4.389     4    0.018   0.019     5.205   32.976   20.212
LGA    V   136_B      V   136_B     5.408     0    0.158   0.302     6.078   22.738   22.993
LGA    Q   137_B      Q   137_B     7.664     4    0.017   0.033     8.312    8.095    4.127
LGA    A   138_B      A   138_B     7.303     0    0.204   0.211     7.685   10.119   10.762
LGA    D   139_B      D   139_B     5.900     0    0.062   0.192     6.193   19.286   24.048
LGA    P   140_B      P   140_B     7.083     0    0.053   0.198     7.689   12.500   11.497
LGA    E   141_B      E   141_B     6.362     0    0.041   0.698     8.856   18.333   14.074
LGA    R   142_B      R   142_B     4.447     0    0.043   1.152     5.094   30.238   42.554
LGA    A   143_B      A   143_B     6.061     0    0.015   0.030     6.787   19.405   18.190
LGA    A   144_B      A   144_B     6.865     0    0.008   0.011     7.313   15.238   14.190
LGA    A   145_B      A   145_B     4.701     0    0.037   0.044     5.419   32.976   33.810
LGA    I   146_B      I   146_B     4.659     0    0.015   0.273     5.473   28.810   30.119
LGA    E   147_B      E   147_B     7.035     0    0.019   0.834     8.598   13.452    9.524
LGA    A   148_B      A   148_B     6.294     0    0.124   0.140     6.505   19.524   19.048
LGA    L   149_B      L   149_B     5.047     0    0.030   1.361     5.577   25.000   38.750
LGA    W   150_B      W   150_B     6.357     0    0.053   1.043    10.792   14.643   12.143
LGA    K   151_B      K   151_B     8.068     4    0.085   0.085     8.591    6.667    3.280
LGA    P   152_B      P   152_B     6.119     0    0.099   0.183     6.606   17.262   20.408
LGA    T   153_B      T   153_B     5.634     0    0.058   1.129     7.122   16.548   19.388
LGA    L   154_B      L   154_B     8.657     0    0.044   1.316    12.535    3.571    2.500
LGA    D   155_B      D   155_B     8.294     0    0.027   0.129     9.554    5.952    4.345
LGA    Q   156_B      Q   156_B     6.130     0    0.018   0.966     7.334   12.619   26.984
LGA    L   157_B      L   157_B     8.960     0    0.055   0.184    11.067    2.619    1.488
LGA    L   158_B      L   158_B    10.911     0    0.025   0.919    14.207    0.000    0.000
LGA    A   159_B      A   159_B     8.330     0    0.026   0.032     9.078    3.929    5.143
LGA    V   160_B      V   160_B     8.590     0    0.009   0.183     9.977    2.143    3.129
LGA    L   161_B      L   161_B    11.716     0    0.008   0.263    13.117    0.000    0.000
LGA    Q   162_B      Q   162_B    11.363     0    0.023   0.775    12.044    0.000    0.000
LGA    E   163_B      E   163_B     9.127     3    0.105   0.221     9.844    0.714    1.376
LGA    K   164_B      K   164_B    11.685     4    0.220   0.217    13.526    0.000    0.000
LGA    H   165_B      H   165_B    13.996     0    0.088   1.141    15.137    0.000    0.000
LGA    K   166_B      K   166_B    11.477     2    0.656   0.777    12.067    0.000    0.370
LGA    G   167_B      G   167_B    15.250     0    0.080   0.080    16.295    0.000    0.000
LGA    K   168_B      K   168_B    16.806     0    0.071   0.569    17.939    0.000    0.000
LGA    P   169_B      P   169_B    18.748     0    0.688   0.648    19.751    0.000    0.000
LGA    A   170_B      A   170_B    21.034     0    0.619   0.555    21.576    0.000    0.000
LGA    T   171_B      T   171_B    20.979     0    0.053   0.831    23.865    0.000    0.000
LGA    T   172_B      T   172_B    24.584     0    0.403   0.824    28.199    0.000    0.000
LGA    V   173_B      V   173_B    22.089     0    0.672   1.423    25.324    0.000    0.000
LGA    T   174_B      T   174_B    24.204     0    0.257   1.040    28.364    0.000    0.000
LGA    Y   175_B      Y   175_B    23.269     0    0.079   1.215    27.050    0.000    0.000
LGA    E   176_B      E   176_B    29.143     0    0.237   0.550    35.890    0.000    0.000
LGA    I   177_B      I   177_B    27.505     0    0.017   0.534    31.037    0.000    0.000
LGA    S   178_B      S   178_B    32.425     0    0.072   0.157    34.671    0.000    0.000
LGA    A   179_B      A   179_B    31.769     0    0.070   0.081    33.756    0.000    0.000
LGA    E   180_B      E   180_B    33.627     0    0.032   0.725    42.265    0.000    0.000
LGA    T   181_B      T   181_B    28.194     0    0.024   1.150    30.396    0.000    0.000
LGA    L   182_B      L   182_B    22.866     0    0.026   0.395    25.235    0.000    0.000
LGA    R   183_B      R   183_B    25.648     0    0.012   1.290    36.411    0.000    0.000
LGA    A   184_B      A   184_B    26.979     0    0.019   0.018    28.463    0.000    0.000
LGA    A   185_B      A   185_B    19.856     0    0.006   0.005    22.404    0.000    0.000
LGA    V   186_B      V   186_B    18.251     0    0.043   0.105    20.018    0.000    0.000
LGA    A   187_B      A   187_B    24.481     0    0.009   0.018    27.132    0.000    0.000
LGA    A   188_B      A   188_B    23.280     0    0.010   0.018    23.431    0.000    0.000
LGA    L   189_B      L   189_B    17.580     0    0.045   0.619    19.221    0.000    0.000
LGA    A   190_B      A   190_B    21.090     0    0.032   0.037    24.393    0.000    0.000
LGA    R   191_B      R   191_B    27.509     0    0.046   0.956    33.765    0.000    0.000
LGA    A   192_B      A   192_B    24.920     0    0.052   0.053    26.323    0.000    0.000
LGA    A   193_B      A   193_B    23.161     0    0.016   0.021    26.984    0.000    0.000
LGA    E   194_B      E   194_B    29.498     0    0.029   1.002    35.542    0.000    0.000
LGA    A   195_B      A   195_B    33.380     0    0.026   0.024    35.578    0.000    0.000
LGA    A   196_B      A   196_B    31.307     0    0.010   0.012    34.640    0.000    0.000
LGA    L   197_B      L   197_B    33.225     0    0.050   1.330    37.776    0.000    0.000
LGA    R   198_B      R   198_B    39.759     0    0.035   1.558    43.460    0.000    0.000
LGA    R   199_B      R   199_B    41.544     0    0.011   0.314    44.305    0.000    0.000
LGA    K   200_B      K   200_B    40.820     0    0.017   0.670    44.861    0.000    0.000
LGA    V   201_B      V   201_B    44.327     0    0.081   1.285    49.024    0.000    0.000
LGA    G   202_B      G   202_B    50.135     0    0.216   0.216    53.923    0.000    0.000
LGA    S   203_B      S   203_B    51.315     1    0.527   0.536    53.703    0.000    0.000
LGA    L   204_B      L   204_B    53.381     3    0.269   0.282    54.647    0.000    0.000
LGA    E   205_B      E   205_B    52.063     4    0.381   0.375    52.463    0.000    0.000
LGA    S   206_B      S   206_B    53.545     1    0.100   0.106    54.237    0.000    0.000
LGA    S   207_B      S   207_B    52.480     0    0.634   0.845    52.729    0.000    0.000
LGA    G   208_B      G   208_B    50.427     0    0.596   0.596    50.889    0.000    0.000
LGA    L   209_B      L   209_B    44.619     3    0.616   0.569    46.582    0.000    0.000
LGA    E   210_B      E   210_B    41.822     4    0.396   0.431    43.222    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    18.114         18.101                 17.471           23.398   21.626

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     64    2.51    31.643    29.353     2.453

LGA_LOCAL      RMSD:   2.509  Number of atoms:   64  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.538  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  18.114  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.528754 * X  +  -0.195325 * Y  +   0.825995 * Z  +  -8.659637
  Y_new =  -0.730446 * X  +   0.600349 * Y  +  -0.325623 * Z  + -14.261939
  Z_new =  -0.432282 * X  +  -0.775519 * Y  +  -0.460111 * Z  +  -6.108880 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.197369  0.447022 -2.106271   [DEG: -125.8999   25.6125 -120.6804 ]
ZXZ:  1.195284  2.048917 -2.633078   [DEG:   68.4847  117.3943 -150.8642 ]
 
# END of job
