
#######################################################
#                                                     #
#                        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:    74      61_A - 134_A       4.96    15.60
  LCS_AVERAGE:     23.79

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      64_A - 98_A        1.72    15.60
  LONGEST_CONTINUOUS_SEGMENT:    35      65_A - 99_A        1.99    15.14
  LCS_AVERAGE:      7.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      66_A - 93_A        0.99    15.74
  LCS_AVERAGE:      4.04

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      0    3   40      0    0    4    5    6    9   13   19   25   31   45   64   69   98  113  131  152  163  169  177 
LCS_GDT     S     3_A     S     3_A      3    4   40      3    3    6    7    9   16   21   44   55  103  120  131  143  152  159  168  173  177  180  182 
LCS_GDT     T     4_A     T     4_A      3    4   40      3    5   10   20   34   59   83   99  116  124  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E     5_A     E     5_A      3    4   40      3    3    5    9   14   27   43   61   90  106  120  130  141  152  159  168  173  177  180  182 
LCS_GDT     N     6_A     N     6_A      4    8   40      4    4    6    7    9   24   40   63   85  108  125  136  146  153  163  168  173  177  180  182 
LCS_GDT     K     7_A     K     7_A      4    8   40      4    4    6    7   14   23   30   56   81  108  126  137  147  156  163  168  173  177  180  182 
LCS_GDT     N     8_A     N     8_A      4    8   40      4    4    6   12   18   34   49   78  104  115  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     F     9_A     F     9_A      4    8   40      4    4    6   12   18   34   49   77  104  115  128  137  147  156  163  168  173  177  180  182 
LCS_GDT     V    10_A     V    10_A      4    8   40      3    4    4    6   13   18   24   39   62   80  106  128  138  151  161  168  173  177  180  182 
LCS_GDT     I    11_A     I    11_A      4    8   40      3    4    6    8   13   23   32   53   75  104  124  136  145  156  163  168  173  177  180  182 
LCS_GDT     S    12_A     S    12_A      4    8   40      1    4    6    7   12   23   33   51   78  106  124  136  147  156  163  168  173  177  180  182 
LCS_GDT     I    13_A     I    13_A      4   11   40      2    4    6    7   10   18   29   43   56   90  115  134  145  153  163  168  173  177  180  182 
LCS_GDT     S    14_A     S    14_A      4   21   40      0    4    6    8   15   24   28   31   65   84   97  126  144  156  163  168  173  177  180  182 
LCS_GDT     T    15_A     T    15_A      4   21   40      1    3    6   14   20   25   28   34   45   62  105  121  139  151  163  168  173  177  180  182 
LCS_GDT     A    16_A     A    16_A     12   21   40      4    8   14   20   28   48   85   95  108  119  129  135  147  156  163  168  173  177  180  182 
LCS_GDT     E    17_A     E    17_A     12   21   40      4    8   14   20   26   59   81   95  106  119  126  133  144  152  160  168  173  177  180  182 
LCS_GDT     Q    18_A     Q    18_A     12   21   40      4    8   14   20   32   48   87   99  111  119  129  135  144  156  163  168  173  177  180  182 
LCS_GDT     R    19_A     R    19_A     12   21   40      4   10   15   33   60   81   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     R    20_A     R    20_A     12   21   40      8   29   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N    21_A     N    21_A     12   21   40      4   24   44   58   70   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     H    22_A     H    22_A     12   21   40      3   15   35   55   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I    23_A     I    23_A     12   21   40      5   17   43   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I    24_A     I    24_A     12   21   40      3   22   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E    25_A     E    25_A     12   21   40      3   22   44   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q    26_A     Q    26_A     12   21   40      3   17   42   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F    27_A     F    27_A     12   21   40      3   14   30   58   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T    28_A     T    28_A      7   21   40      1    6   30   46   70   81   93  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     H    29_A     H    29_A      5   21   40      0    4   16   37   58   80   91  104  116  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q    30_A     Q    30_A      5   21   40      1   15   30   46   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N    31_A     N    31_A      5   21   40      3   15   30   58   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I    32_A     I    32_A      4   21   40      3    4   22   42   58   76   88  101  115  124  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     P    33_A     P    33_A      3   21   40      3    8   22   53   68   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F    34_A     F    34_A      3   21   40      7   14   27   55   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E    35_A     E    35_A      5   21   40      3   10   21   42   67   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F    36_A     F    36_A      5   18   40      3    5   14   40   67   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F    37_A     F    37_A      5   10   40      3    5   23   41   68   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     D    38_A     D    38_A      5   10   40      3    5   10   25   61   81   94  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A    39_A     A    39_A      5   10   40      3    6   27   40   63   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F    40_A     F    40_A      5   10   40      3    5   16   30   51   78   93  104  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T    41_A     T    41_A      5   18   40      3    5   10   24   37   60   73   89  105  119  128  137  146  154  162  168  173  177  180  182 
LCS_GDT     P    42_A     P    42_A      5   18   37      3    5    9   15   25   40   55   77   86  101  124  131  142  150  159  168  173  177  180  182 
LCS_GDT     S    43_A     S    43_A     12   18   33      3   11   11   14   17   20   25   43   62   81   96  111  124  140  148  161  169  174  180  182 
LCS_GDT     D    44_A     D    44_A     12   18   29      6   11   11   14   17   20   21   32   43   61   75   87  105  121  135  147  155  163  172  179 
LCS_GDT     K    45_A     K    45_A     12   18   28      7   11   11   14   17   20   21   23   24   28   32   39   59   84  100  112  132  144  158  168 
LCS_GDT     L    46_A     L    46_A     12   18   28      7   11   11   14   17   20   21   23   32   36   40   63   78   93  109  124  140  153  163  170 
LCS_GDT     T    47_A     T    47_A     12   18   28      7   11   11   14   17   20   21   27   32   36   40   49   76   94  106  120  136  146  158  168 
LCS_GDT     D    48_A     D    48_A     12   18   28      7   11   11   14   17   20   21   23   32   36   40   45   49   58   67   78   89  104  123  149 
LCS_GDT     H    49_A     H    49_A     12   18   28      7   11   11   14   17   20   21   23   24   26   28   31   37   47   67   74   76   82   91  100 
LCS_GDT     L    50_A     L    50_A     12   18   28      7   11   11   14   17   20   21   23   24   26   28   38   42   54   67   74   76   82  102  109 
LCS_GDT     Q    51_A     Q    51_A     12   18   28      3   11   11   14   17   20   21   23   24   26   29   38   42   47   53   58   71   76   80   95 
LCS_GDT     R    52_A     R    52_A     12   18   28      7   11   11   14   17   20   21   23   24   26   28   31   36   44   51   53   60   68   72   83 
LCS_GDT     Y    53_A     Y    53_A     12   18   28      3   11   11   14   17   20   21   23   24   26   28   31   33   39   51   53   60   65   68   74 
LCS_GDT     L    54_A     L    54_A     12   18   28      3    5    9   14   17   20   21   23   24   26   28   38   42   44   51   53   60   65   76   88 
LCS_GDT     P    55_A     P    55_A      4   18   28      3    4    5   11   17   20   21   23   24   26   28   30   33   36   40   47   51   65   68   73 
LCS_GDT     N    56_A     N    56_A      3   18   28      3    3    3    4   12   18   21   23   24   26   28   30   33   35   40   47   60   65   68   73 
LCS_GDT     V    57_A     V    57_A      3   18   28      1    5    9   14   17   20   21   23   24   27   33   38   40   44   59   63   72   89   96  106 
LCS_GDT     A    58_A     A    58_A      3   18   28      0    3    3    7   17   20   23   26   31   38   43   49   57   68   76   89  100  116  129  142 
LCS_GDT     N    59_A     N    59_A      3    5   28      0    3    4    5   12   14   17   19   22   31   43   48   57   63   72   87   99  116  129  139 
LCS_GDT     A    60_A     A    60_A      3    5   73      1    3    4    8   12   17   23   27   33   38   49   56   66   72   87   97  106  131  148  164 
LCS_GDT     A    61_A     A    61_A      3    5   74      0    3    4    4   10   14   23   27   33   51   55   65   73   90   95  127  141  160  167  175 
LCS_GDT     Q    62_A     Q    62_A      3    6   74      2    3    4    4    7   12   18   25   31   42   51   65   89  114  126  149  158  165  170  177 
LCS_GDT     L    63_A     L    63_A      4    6   74      1    3    5   17   32   44   61   78   93  106  119  133  142  152  159  167  173  177  180  182 
LCS_GDT     T    64_A     T    64_A      4   35   74      3    4    8   30   54   76   92  104  116  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     M    65_A     M    65_A     16   35   74      3    7   35   55   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     G    66_A     G    66_A     28   35   74     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E    67_A     E    67_A     28   35   74     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K    68_A     K    68_A     28   35   74     11   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     G    69_A     G    69_A     28   35   74     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     C    70_A     C    70_A     28   35   74      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L    71_A     L    71_A     28   35   74      7   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     M    72_A     M    72_A     28   35   74      7   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     S    73_A     S    73_A     28   35   74      7   27   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     H    74_A     H    74_A     28   35   74      7   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F    75_A     F    75_A     28   35   74     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     M    76_A     M    76_A     28   35   74     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L    77_A     L    77_A     28   35   74      8   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     W    78_A     W    78_A     28   35   74      8   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K    79_A     K    79_A     28   35   74      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K    80_A     K    80_A     28   35   74      8   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     C    81_A     C    81_A     28   35   74      8   23   47   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I    82_A     I    82_A     28   35   74      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     D    83_A     D    83_A     28   35   74     11   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E    84_A     E    84_A     28   35   74     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N    85_A     N    85_A     28   35   74      5   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L    86_A     L    86_A     28   35   74      3   16   45   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     D    87_A     D    87_A     28   35   74     11   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Y    88_A     Y    88_A     28   35   74      3    3   20   56   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I    89_A     I    89_A     28   35   74      9   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T    90_A     T    90_A     28   35   74      4   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L    91_A     L    91_A     28   35   74     11   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F    92_A     F    92_A     28   35   74     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E    93_A     E    93_A     28   35   74     10   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     D    94_A     D    94_A      5   35   74      3    5   26   52   67   78   89  103  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     D    95_A     D    95_A      5   35   74      6   19   44   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I    96_A     I    96_A      5   35   74      4   17   41   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L    97_A     L    97_A      5   35   74      4    6   29   58   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L    98_A     L    98_A      5   35   74      3    6   12   29   65   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     G    99_A     G    99_A      4   35   74      3    6   10   15   19   30   58   75   87  106  118  128  138  150  162  168  173  177  180  182 
LCS_GDT     E   100_A     E   100_A      4   12   74      3    4   10   20   31   45   68   92  104  117  128  135  147  156  163  168  173  177  180  182 
LCS_GDT     N   101_A     N   101_A      9   12   74      5    6   12   14   15   37   77  104  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   102_A     A   102_A      9   12   74      5    8   12   16   42   80   92  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N   103_A     N   103_A      9   12   74      5    8   16   33   60   80   95  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K   104_A     K   104_A      9   12   74      5   24   44   58   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F   105_A     F   105_A      9   12   74      5   15   38   52   68   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   106_A     L   106_A      9   12   74      5    8   12   20   36   61   88  102  116  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   107_A     A   107_A      9   12   74      3    8   10   12   18   40   55   72   95  113  128  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   108_A     E   108_A      9   12   74      3    8   10   15   25   37   75   87   95  112  129  136  147  156  163  168  173  177  180  182 
LCS_GDT     G   109_A     G   109_A      9   12   74      3    8   10   12   18   28   52   70   93  106  122  135  147  156  163  168  173  177  180  182 
LCS_GDT     D   110_A     D   110_A      5   12   74      3    4    6    9   14   22   44   62   74  101  115  129  142  154  162  168  173  177  180  182 
LCS_GDT     W   111_A     W   111_A      5    7   74      3    4    6    7   25   34   51   69   92  108  120  131  142  152  162  168  173  177  180  182 
LCS_GDT     L   112_A     L   112_A      5    7   74      3    8   17   37   61   78   92  105  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K   113_A     K   113_A      5    8   74      3    4   16   47   68   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     V   114_A     V   114_A      3    8   74      3    6   28   48   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     R   115_A     R   115_A      5   11   74      3   10   13   22   54   67   76   94  106  119  124  133  142  152  159  168  173  177  180  182 
LCS_GDT     F   116_A     F   116_A      5   11   74      5   16   26   55   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N   117_A     N   117_A      5   11   74      3   11   26   52   68   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F   118_A     F   118_A      5   11   74      3    5    8   21   36   54   75   98  109  124  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q   119_A     Q   119_A      5   11   74      3    5    7   17   29   43   63   79   93  111  123  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   120_A     E   120_A      5   12   74      3    5    8   14   20   37   59   78  102  124  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   121_A     I   121_A      5   12   74      3    5    8   12   16   23   40   50   79  100  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     F   122_A     F   122_A      6   12   74      3    6    8   15   42   70   89  104  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     V   123_A     V   123_A      6   12   74      3   10   29   58   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   124_A     L   124_A      6   12   74      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     R   125_A     R   125_A      6   12   74      4   16   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   126_A     L   126_A      6   12   74      4    6   15   40   58   76   92  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   127_A     E   127_A      6   12   74      4   11   26   55   64   78   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T   128_A     T   128_A      4   12   74      4    4    5   13   16   25   32   44   89  103  121  132  143  154  160  166  172  177  180  182 
LCS_GDT     F   129_A     F   129_A      4   12   74      4    7   10   13   16   25   60   84   92  114  121  133  147  154  160  167  173  177  180  182 
LCS_GDT     L   130_A     L   130_A      4   12   74      4    4   16   40   57   78   92  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     M   131_A     M   131_A      5   12   74      4   16   35   55   68   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     P   132_A     P   132_A      5    8   74      3    3    6   14   24   40   75   98  108  118  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     V   133_A     V   133_A      5    6   74      3    4   11   25   34   45   72   93  100  116  124  134  142  153  163  168  173  177  180  182 
LCS_GDT     Q   134_A     Q   134_A      5    6   74      3    7   11   20   30   41   61   73   91  107  121  130  139  151  159  168  172  177  180  182 
LCS_GDT     L   135_A     L   135_A      5    6   73      3    4    6    6   11   15   24   31   43   59   79   97  109  117  127  142  153  161  168  173 
LCS_GDT     E   136_A     E   136_A      4    6   13      3    3    4    6   13   19   25   35   50   68   85   98  109  119  130  138  148  154  166  170 
LCS_GDT     K   137_A     K   137_A      4    6   13      3    3    5    9   15   21   27   38   50   63   80   92  103  112  121  131  139  145  151  160 
LCS_GDT     Q   138_A     Q   138_A      4    6   13      3    4    4    5   12   21   23   30   38   49   61   73   88  100  112  122  130  139  144  151 
LCS_GDT     T   139_A     T   139_A      4    7   14      3    4    4    6    7    8    8    9   11   20   26   29   30   43   58   75   85  101  109  118 
LCS_GDT     Q   140_A     Q   140_A      4    7   14      3    4    4    6    7    8    9   14   15   18   23   25   25   28   32   51   65   75   86   94 
LCS_GDT     I   141_A     I   141_A      5    7   14      3    4    5    6    7    8    8   14   15   18   23   25   26   28   41   54   65   76   87   95 
LCS_GDT     P   142_A     P   142_A      5    7   14      3    4    5    6    7    8    9   14   15   18   23   25   27   31   37   41   46   53   58   84 
LCS_GDT     P   143_A     P   143_A      5    7   14      3    4    5    6    7    8   10   14   15   18   23   27   31   34   37   54   65   75   87   94 
LCS_GDT     F   144_A     F   144_A      5    7   14      3    4    5    6    7    8    8   14   15   18   23   25   27   34   37   41   46   53   58   58 
LCS_GDT     Q   145_A     Q   145_A      5    7   14      3    4    5    6    7    8   10   14   15   18   23   25   28   34   37   41   46   53   58   58 
LCS_GDT     Q   146_A     Q   146_A      4    7   14      3    3    4    5    7    8   11   12   15   18   23   25   26   29   32   38   41   46   49   58 
LCS_GDT     R   147_A     R   147_A      4    6   14      3    3    4    5    6    7   11   14   15   18   23   25   26   32   36   38   41   48   58   58 
LCS_GDT     D   148_A     D   148_A      4    8   14      3    3    5    6    7    8    8   10   10   16   23   25   26   28   32   35   37   39   43   49 
LCS_GDT     I   149_A     I   149_A      4    8   14      3    3    4    5    6    8   11   14   14   18   23   25   26   29   32   38   45   49   58   58 
LCS_GDT     D   150_A     D   150_A      4    8   14      3    4    5    6    7    8    9   14   15   18   23   25   27   32   37   41   61   70   84   92 
LCS_GDT     I   151_A     I   151_A      5    8   14      3    5    5    6    7   11   13   16   20   25   28   35   41   47   58   71   85   91  102  108 
LCS_GDT     L   152_A     L   152_A      5    8   51      4    5    5    6    7   11   15   20   25   34   44   54   61   75   88   98  110  121  127  132 
LCS_GDT     T   153_A     T   153_A      5    8   70      4    5    5   15   17   24   30   33   45   53   63   79   99  111  119  126  135  143  151  160 
LCS_GDT     S   154_A     S   154_A      5    8   71      4    5   13   20   26   34   43   54   62   79   92  103  110  122  133  151  156  163  168  174 
LCS_GDT     K   155_A     K   155_A      5    8   71      4    5    5   10   20   33   51   67   87   97  111  124  134  145  156  165  171  174  180  182 
LCS_GDT     H   156_A     H   156_A      4    7   71      6   14   23   41   64   83   93  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F   157_A     F   157_A      4    5   71      3    4    4    7   25   41   60   80   96  111  119  135  147  156  163  168  173  177  180  182 
LCS_GDT     G   158_A     G   158_A      4    6   71      7   27   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T   159_A     T   159_A      4    6   71      9   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   160_A     A   160_A      4    6   71      3    6   10   14   15   19   23   39   62   98  111  128  145  156  163  168  173  177  180  182 
LCS_GDT     G   161_A     G   161_A      4   19   71      3    4    5   10   15   20   29   68   82  118  127  134  147  156  163  168  173  177  180  182 
LCS_GDT     Y   162_A     Y   162_A     18   30   71      5   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     V   163_A     V   163_A     18   30   71      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   164_A     I   164_A     18   30   71      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     S   165_A     S   165_A     18   30   71      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q   166_A     Q   166_A     18   30   71      8   29   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     G   167_A     G   167_A     18   30   71     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   168_A     A   168_A     18   30   71      6   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   169_A     A   169_A     18   30   71      8   31   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K   170_A     K   170_A     18   30   71      8   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Y   171_A     Y   171_A     18   30   71     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   172_A     L   172_A     18   30   71     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   173_A     I   173_A     18   30   71     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   174_A     A   174_A     18   30   71     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   175_A     L   175_A     18   30   71     13   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F   176_A     F   176_A     18   30   71      5   23   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   177_A     E   177_A     18   30   71      7   20   48   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K   178_A     K   178_A     18   30   71      7   18   43   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   179_A     L   179_A     18   30   71      4    8   23   48   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T   180_A     T   180_A      3   30   71      3    3    7    7   13   39   63   89  107  123  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T   181_A     T   181_A      3   30   71      3    3    7   30   56   76   93  104  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   182_A     E   182_A      5   30   71      3    4   13   32   55   83   95  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   183_A     E   183_A      5   30   71      3    6   25   42   65   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   184_A     I   184_A      5   30   71      3   12   21   42   66   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     K   185_A     K   185_A      9   30   71      3    9   27   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     P   186_A     P   186_A      9   30   71      4    9   27   48   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   187_A     I   187_A      9   30   71      3   10   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     D   188_A     D   188_A      9   30   71      4   27   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   189_A     E   189_A      9   30   71      3   17   39   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   190_A     I   190_A      9   30   71      7   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     M   191_A     M   191_A      9   30   71      5   24   44   58   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     F   192_A     F   192_A      9   30   71      7   10   16   52   68   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N   193_A     N   193_A      9   15   71      5    9   19   55   68   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q   194_A     Q   194_A      9   15   71      5    7   17   37   67   83   93  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q   195_A     Q   195_A      6   15   71      5    7   22   37   64   83   93  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   196_A     I   196_A      6   15   71      5    7   22   39   64   83   93  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N   197_A     N   197_A      4   15   71      3   22   38   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   198_A     A   198_A      4   15   71      1    4   13   56   69   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     T   199_A     T   199_A      4   15   71      3   13   44   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     D   200_A     D   200_A      4    8   71      3    3   15   28   48   69   90  102  116  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Y   201_A     Y   201_A      7    8   71      3    6   12   14   15   22   39   50   75   94  122  137  147  156  163  168  173  177  180  182 
LCS_GDT     R   202_A     R   202_A      7    8   71      3    6    8   14   15   21   39   55   79  109  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     V   203_A     V   203_A      7    8   71      3    6   12   14   17   27   50   82  109  124  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Y   204_A     Y   204_A      7    8   71      3    6   12   28   61   81   94  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q   205_A     Q   205_A      7    8   71      3   17   44   58   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   206_A     L   206_A      7    8   71      3    9   42   58   68   83   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N   207_A     N   207_A      7    8   71     11   32   49   60   70   84   96  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     P   208_A     P   208_A      3    8   71      2    3   15   34   56   73   92  103  116  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     A   209_A     A   209_A      3    4   71      3    4    4    6   15   44   69   98  107  124  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     I   210_A     I   210_A      3    4   71      3    4    4   11   26   54   82   98  107  118  129  136  147  156  163  168  173  177  180  182 
LCS_GDT     C   211_A     C   211_A      3    4   71      3   11   23   42   68   83   93  104  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     V   212_A     V   212_A      3    4   71      3   11   25   42   68   83   93  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q   213_A     Q   213_A      4    4   71      3    4    4    6   12   18   19   32   51   80  111  126  136  148  160  168  173  177  180  182 
LCS_GDT     E   214_A     E   214_A      4    4   71      3    8   16   26   37   52   76   95  105  116  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   215_A     L   215_A      4    4   71      3    9   11   16   23   39   61   75   92  107  122  133  145  154  163  168  173  177  180  182 
LCS_GDT     Q   216_A     Q   216_A      4    4   71      3    4    6   19   32   45   61   82  100  116  129  137  145  156  163  168  173  177  180  182 
LCS_GDT     L   217_A     L   217_A      3    4   71      3    3   11   42   59   82   95  106  117  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     N   218_A     N   218_A      3    6   71      3    6   13   30   52   75   92  104  116  125  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     Q   219_A     Q   219_A      5    6   71      4    5    6   10   26   36   74   93  103  118  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     E   220_A     E   220_A      5    6   71      4    5    5    7   16   18   29   37   54   69  104  113  125  138  150  164  171  177  180  182 
LCS_GDT     A   221_A     A   221_A      5    6   71      4    5    9   27   54   62   81   98  106  118  129  137  147  156  163  168  173  177  180  182 
LCS_GDT     S   222_A     S   222_A      5    6   71      4    5    8   13   26   48   88   98  113  123  130  137  147  156  163  168  173  177  180  182 
LCS_GDT     L   223_A     L   223_A      5    6   71      1    5    5   14   18   20   33   53   69   92  108  127  138  151  159  168  173  177  180  182 
LCS_GDT     L   224_A     L   224_A      3    6   71      3    3    4    7   14   19   27   38   49   62   82   98  120  130  149  156  163  171  176  179 
LCS_GDT     V   225_A     V   225_A      3    5   71      3    3    4    9   14   19   26   38   49   59   78   91  113  125  141  154  162  166  174  179 
LCS_GDT     S   226_A     S   226_A      4    5   71      4    4    4    7    9   17   25   34   45   55   68   86  102  117  128  146  162  165  171  173 
LCS_GDT     N   227_A     N   227_A      4    5   23      4    4    4    5    6    8   13   30   37   45   57   70   81   99  125  136  149  161  166  172 
LCS_GDT     L   228_A     L   228_A      4   13   23      4    4    5    7   10   12   13   30   37   41   55   63   74   88  100  117  130  151  158  165 
LCS_GDT     E   229_A     E   229_A      4   13   23      4    4    4    7   12   12   13   22   29   40   45   51   61   70   85   97  113  126  139  155 
LCS_GDT     Q   230_A     Q   230_A     10   13   23      3    6    9   11   12   12   13   14   21   24   26   31   35   37   40   44   47   57   72   93 
LCS_GDT     E   231_A     E   231_A     10   13   23      4    8    9   11   12   12   13   18   19   21   25   31   35   37   41   44   48   54   62   66 
LCS_GDT     R   232_A     R   232_A     10   13   23      4    8    9   11   12   12   13   18   20   23   27   33   37   47   59   66   79   84   93  107 
LCS_GDT     K   233_A     K   233_A     10   13   23      4    8    9   11   12   12   13   14   19   21   24   30   32   36   40   43   47   54   63   80 
LCS_GDT     I   234_A     I   234_A     10   13   23      5    8    9   11   12   12   13   13   15   18   26   28   31   35   38   42   46   53   58   58 
LCS_GDT     N   235_A     N   235_A     10   13   23      5    8    9   11   12   12   13   14   21   24   26   30   32   37   41   44   47   53   58   58 
LCS_GDT     L   236_A     L   236_A     10   13   23      5    8    9   11   12   12   13   13   15   17   18   21   23   34   38   40   46   53   58   58 
LCS_GDT     K   237_A     K   237_A     10   13   23      5    8    9   11   12   12   13   13   15   17   18   19   20   29   31   33   35   46   58   58 
LCS_GDT     Y   238_A     Y   238_A     10   13   23      5    8    9   11   12   12   13   13   15   17   18   21   26   32   36   40   46   53   58   58 
LCS_GDT     E   239_A     E   239_A     10   13   23      3    7    9   11   12   12   13   13   15   17   18   21   23   29   31   35   45   53   58   58 
LCS_GDT     K   240_A     K   240_A     10   13   23      3    3    3   11   12   12   13   13   14   15   16   18   20   21   22   29   29   32   37   39 
LCS_AVERAGE  LCS_A:  11.70  (   4.04    7.29   23.79 )

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     13     32     49     60     70     84     96    106    117    125    130    137    147    156    163    168    173    177    180    182 
GDT PERCENT_AT   5.44  13.39  20.50  25.10  29.29  35.15  40.17  44.35  48.95  52.30  54.39  57.32  61.51  65.27  68.20  70.29  72.38  74.06  75.31  76.15
GDT RMS_LOCAL    0.36   0.71   0.94   1.24   1.48   1.83   2.11   2.34   2.59   2.80   3.00   3.37   3.70   3.99   4.23   4.37   4.58   4.72   4.84   4.96
GDT RMS_ALL_AT  15.34  15.79  15.78  15.47  15.16  15.13  15.21  15.22  15.20  15.31  15.31  15.00  15.39  15.23  15.12  15.06  15.20  15.13  15.04  14.98

# 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:  F    37_A      F    37_A
#   possible swapping detected:  D    38_A      D    38_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  Y    53_A      Y    53_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:  E    93_A      E    93_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  F   116_A      F   116_A
#   possible swapping detected:  E   120_A      E   120_A
#   possible swapping detected:  F   122_A      F   122_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  D   150_A      D   150_A
#   possible swapping detected:  Y   171_A      Y   171_A
#   possible swapping detected:  D   188_A      D   188_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  F   192_A      F   192_A
#   possible swapping detected:  D   200_A      D   200_A
#   possible swapping detected:  Y   201_A      Y   201_A
#   possible swapping detected:  Y   204_A      Y   204_A
#   possible swapping detected:  E   214_A      E   214_A
#   possible swapping detected:  E   220_A      E   220_A
#   possible swapping detected:  E   231_A      E   231_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    12.100     0    0.063   1.180    19.247    0.000    0.000
LGA    S     3_A      S     3_A     9.150     0    0.597   0.710    11.220    8.214    5.476
LGA    T     4_A      T     4_A     7.217     0    0.275   1.213    10.058    7.976    6.259
LGA    E     5_A      E     5_A    10.512     0    0.632   1.091    19.399    3.333    1.481
LGA    N     6_A      N     6_A     8.363     0    0.627   0.966    14.133    5.119    2.560
LGA    K     7_A      K     7_A     7.629     0    0.107   0.632     7.852    7.857    8.413
LGA    N     8_A      N     8_A     7.562     0    0.612   0.667     7.714    7.857    7.857
LGA    F     9_A      F     9_A     7.639     0    0.144   0.161    11.675    5.476    2.857
LGA    V    10_A      V    10_A    10.158     0    0.511   0.542    13.924    0.952    0.544
LGA    I    11_A      I    11_A     8.997     0    0.298   0.943     9.710    1.548    1.667
LGA    S    12_A      S    12_A     8.671     0    0.075   0.066     9.315    2.500    2.619
LGA    I    13_A      I    13_A     9.433     0    0.087   0.373    12.603    3.095    1.548
LGA    S    14_A      S    14_A     8.125     0    0.368   0.670     9.746    4.881    3.571
LGA    T    15_A      T    15_A     8.404     0    0.487   0.813     9.634    3.214    3.605
LGA    A    16_A      A    16_A     6.009     0    0.567   0.611     6.755   22.262   21.238
LGA    E    17_A      E    17_A     6.845     0    0.109   1.222     8.465   17.500   11.905
LGA    Q    18_A      Q    18_A     6.215     0    0.077   0.320    10.090   22.024   12.063
LGA    R    19_A      R    19_A     3.742     0    0.092   2.045     9.468   47.857   29.610
LGA    R    20_A      R    20_A     2.273     0    0.212   1.558    10.668   60.952   35.714
LGA    N    21_A      N    21_A     3.339     0    0.075   0.184     5.627   55.476   41.607
LGA    H    22_A      H    22_A     2.669     0    0.131   1.229     4.304   65.000   54.190
LGA    I    23_A      I    23_A     0.901     0    0.344   1.032     4.764   79.524   66.607
LGA    I    24_A      I    24_A     2.404     0    0.108   0.701     4.093   61.667   53.393
LGA    E    25_A      E    25_A     2.388     0    0.049   0.656     4.901   59.167   52.381
LGA    Q    26_A      Q    26_A     2.005     0    0.351   1.749     6.763   68.810   52.910
LGA    F    27_A      F    27_A     3.029     0    0.459   0.394     4.925   45.476   48.052
LGA    T    28_A      T    28_A     3.966     0    0.049   0.077     5.123   37.500   41.905
LGA    H    29_A      H    29_A     4.771     0    0.680   1.293     5.905   35.833   37.667
LGA    Q    30_A      Q    30_A     3.192     0    0.183   1.362     6.197   50.000   42.116
LGA    N    31_A      N    31_A     3.154     0    0.348   1.301     6.351   50.119   38.869
LGA    I    32_A      I    32_A     4.843     0    0.113   1.066    11.400   30.357   18.690
LGA    P    33_A      P    33_A     2.828     0    0.697   0.645     3.366   55.476   59.524
LGA    F    34_A      F    34_A     2.286     0    0.233   1.122     7.687   66.786   42.987
LGA    E    35_A      E    35_A     3.405     0    0.649   0.795     6.893   48.571   36.138
LGA    F    36_A      F    36_A     3.655     0    0.219   1.250    12.586   48.452   20.693
LGA    F    37_A      F    37_A     3.471     0    0.085   0.948    12.622   46.786   20.519
LGA    D    38_A      D    38_A     4.160     0    0.381   1.098     9.358   48.571   30.000
LGA    A    39_A      A    39_A     3.569     0    0.094   0.097     4.464   43.452   42.190
LGA    F    40_A      F    40_A     4.517     0    0.161   1.374     8.548   31.786   24.113
LGA    T    41_A      T    41_A     6.965     0    0.227   0.964     9.591    8.929    9.456
LGA    P    42_A      P    42_A     9.959     0    0.574   0.543    10.664    0.833    2.653
LGA    S    43_A      S    43_A    12.715     0    0.698   0.598    17.050    0.000    0.000
LGA    D    44_A      D    44_A    16.587     0    0.099   1.108    19.104    0.000    0.000
LGA    K    45_A      K    45_A    18.945     0    0.071   0.425    24.920    0.000    0.000
LGA    L    46_A      L    46_A    17.673     0    0.158   1.185    19.599    0.000    0.000
LGA    T    47_A      T    47_A    19.614     0    0.045   0.803    22.610    0.000    0.000
LGA    D    48_A      D    48_A    23.330     0    0.121   1.254    25.753    0.000    0.000
LGA    H    49_A      H    49_A    24.060     0    0.042   1.042    25.329    0.000    0.000
LGA    L    50_A      L    50_A    22.959     0    0.153   0.297    25.308    0.000    0.000
LGA    Q    51_A      Q    51_A    27.357     0    0.111   0.764    29.926    0.000    0.000
LGA    R    52_A      R    52_A    29.758     0    0.104   1.232    34.054    0.000    0.000
LGA    Y    53_A      Y    53_A    28.232     0    0.044   1.167    29.595    0.000    0.000
LGA    L    54_A      L    54_A    27.794     0    0.266   0.376    29.357    0.000    0.000
LGA    P    55_A      P    55_A    31.145     0    0.569   0.979    32.324    0.000    0.000
LGA    N    56_A      N    56_A    31.397     0    0.596   0.825    33.116    0.000    0.000
LGA    V    57_A      V    57_A    25.281     0    0.637   0.596    27.186    0.000    0.000
LGA    A    58_A      A    58_A    21.647     0    0.571   0.582    23.020    0.000    0.000
LGA    N    59_A      N    59_A    22.133     0    0.545   1.246    24.277    0.000    0.000
LGA    A    60_A      A    60_A    19.289     0    0.235   0.301    19.873    0.000    0.000
LGA    A    61_A      A    61_A    16.359     0    0.708   0.647    17.649    0.000    0.000
LGA    Q    62_A      Q    62_A    15.004     0    0.694   1.298    15.718    0.000    0.000
LGA    L    63_A      L    63_A     9.776     0    0.387   0.670    14.341    6.905    3.452
LGA    T    64_A      T    64_A     4.998     0    0.325   1.071     7.061   23.929   25.714
LGA    M    65_A      M    65_A     2.168     0    0.124   0.972     9.336   70.952   48.333
LGA    G    66_A      G    66_A     1.278     0    0.215   0.215     1.519   83.929   83.929
LGA    E    67_A      E    67_A     1.457     0    0.079   0.265     2.112   81.429   75.767
LGA    K    68_A      K    68_A     1.211     0    0.054   1.365     6.098   81.429   65.714
LGA    G    69_A      G    69_A     1.377     0    0.050   0.050     1.514   79.286   79.286
LGA    C    70_A      C    70_A     1.130     0    0.060   0.865     2.314   81.429   78.651
LGA    L    71_A      L    71_A     1.376     0    0.025   1.433     4.216   81.429   72.738
LGA    M    72_A      M    72_A     1.384     0    0.094   0.859     3.206   77.143   67.321
LGA    S    73_A      S    73_A     1.732     0    0.103   0.666     1.732   75.000   74.286
LGA    H    74_A      H    74_A     1.305     0    0.072   0.769     3.339   85.952   73.571
LGA    F    75_A      F    75_A     0.327     0    0.149   0.908     3.990   95.238   75.281
LGA    M    76_A      M    76_A     0.803     0    0.026   0.946     2.469   85.952   79.524
LGA    L    77_A      L    77_A     1.401     0    0.089   1.349     2.451   79.286   77.321
LGA    W    78_A      W    78_A     1.296     0    0.089   0.241     2.399   81.429   75.408
LGA    K    79_A      K    79_A     1.159     0    0.038   0.832     4.044   79.286   72.910
LGA    K    80_A      K    80_A     1.729     0    0.011   0.824     3.370   72.857   70.370
LGA    C    81_A      C    81_A     2.321     0    0.000   0.782     3.885   68.810   61.429
LGA    I    82_A      I    82_A     1.675     0    0.085   0.696     2.742   77.143   73.036
LGA    D    83_A      D    83_A     0.805     0    0.111   0.225     1.050   88.214   89.345
LGA    E    84_A      E    84_A     0.716     0    0.276   0.306     1.866   86.071   89.577
LGA    N    85_A      N    85_A     2.073     0    0.183   1.054     3.643   65.238   62.321
LGA    L    86_A      L    86_A     1.678     0    0.174   0.262     6.851   70.952   49.762
LGA    D    87_A      D    87_A     1.297     0    0.151   0.401     3.028   75.476   70.357
LGA    Y    88_A      Y    88_A     2.976     0    0.251   1.498     4.732   68.929   49.405
LGA    I    89_A      I    89_A     0.865     0    0.119   0.976     4.641   81.667   70.119
LGA    T    90_A      T    90_A     1.369     0    0.136   1.187     4.326   79.405   70.340
LGA    L    91_A      L    91_A     1.279     0    0.127   1.318     5.538   79.286   63.333
LGA    F    92_A      F    92_A     0.471     0    0.143   0.178     0.981   92.857   96.537
LGA    E    93_A      E    93_A     1.132     0    0.319   0.490     1.959   79.405   78.624
LGA    D    94_A      D    94_A     4.505     0    0.284   1.068     6.716   43.690   30.476
LGA    D    95_A      D    95_A     1.849     0    0.084   1.235     6.218   66.905   49.940
LGA    I    96_A      I    96_A     1.537     0    0.133   1.069     4.525   72.857   62.976
LGA    L    97_A      L    97_A     2.157     0    0.174   1.406     7.427   75.119   53.155
LGA    L    98_A      L    98_A     3.038     0    0.119   1.014     7.146   34.048   34.405
LGA    G    99_A      G    99_A     7.628     0    0.470   0.470     7.628   12.619   12.619
LGA    E   100_A      E   100_A     6.295     0    0.068   1.039     8.653   23.333   15.556
LGA    N   101_A      N   101_A     4.495     0    0.387   0.470     8.553   38.810   25.298
LGA    A   102_A      A   102_A     3.949     0    0.086   0.086     4.896   41.786   39.714
LGA    N   103_A      N   103_A     3.708     0    0.031   1.365     6.439   48.452   37.202
LGA    K   104_A      K   104_A     2.117     0    0.109   0.777     5.530   60.952   49.418
LGA    F   105_A      F   105_A     3.300     0    0.064   0.265     4.825   43.929   51.775
LGA    L   106_A      L   106_A     5.342     0    0.092   1.456     8.175   20.952   21.667
LGA    A   107_A      A   107_A     7.698     0    0.125   0.126     9.492    6.667    7.333
LGA    E   108_A      E   108_A     8.489     0    0.582   0.900     8.890    4.881    6.508
LGA    G   109_A      G   109_A     8.868     0    0.548   0.548     8.868    4.405    4.405
LGA    D   110_A      D   110_A    10.073     0    0.099   0.483    15.894    2.619    1.310
LGA    W   111_A      W   111_A     8.509     0    0.087   1.098    13.644    8.095    2.347
LGA    L   112_A      L   112_A     4.247     0    0.193   1.301     5.863   39.643   41.726
LGA    K   113_A      K   113_A     2.913     0    0.539   1.042     8.673   57.500   34.127
LGA    V   114_A      V   114_A     2.794     0    0.368   1.143     3.879   52.143   53.265
LGA    R   115_A      R   115_A     7.002     0    0.282   1.058    15.034   17.738    6.580
LGA    F   116_A      F   116_A     2.662     0    0.200   1.110     7.775   55.476   34.026
LGA    N   117_A      N   117_A     2.705     0    0.042   0.474     4.617   47.619   52.798
LGA    F   118_A      F   118_A     7.012     0    0.523   1.394     9.685   14.048    7.229
LGA    Q   119_A      Q   119_A     8.771     0    0.118   0.751    14.298    3.333    1.481
LGA    E   120_A      E   120_A     7.709     0    0.691   1.186    10.713    4.286   13.280
LGA    I   121_A      I   121_A     8.286     0    0.560   0.813    13.378   14.524    7.262
LGA    F   122_A      F   122_A     4.596     0    0.115   0.993     7.937   36.071   23.680
LGA    V   123_A      V   123_A     2.265     0    0.060   1.088     3.394   63.095   61.769
LGA    L   124_A      L   124_A     1.844     0    0.119   0.960     4.411   72.857   65.417
LGA    R   125_A      R   125_A     1.789     0    0.311   1.640    11.535   65.119   33.636
LGA    L   126_A      L   126_A     3.953     0    0.548   1.402     6.815   36.310   31.667
LGA    E   127_A      E   127_A     3.618     0    0.078   0.535     5.456   37.738   40.635
LGA    T   128_A      T   128_A     7.600     0    0.728   1.320    10.554   11.905    8.231
LGA    F   129_A      F   129_A     7.388     0    0.063   1.164    11.350   16.190    6.753
LGA    L   130_A      L   130_A     4.231     0    0.071   1.215     6.689   34.524   27.679
LGA    M   131_A      M   131_A     2.480     0    0.230   0.708     7.055   55.595   42.976
LGA    P   132_A      P   132_A     6.374     0    0.286   0.558     8.337   18.095   15.714
LGA    V   133_A      V   133_A     8.773     0    0.449   1.066     9.933    4.762    3.061
LGA    Q   134_A      Q   134_A    10.726     0    0.124   1.420    15.128    0.000    1.005
LGA    L   135_A      L   135_A    17.255     0    0.662   1.061    19.906    0.000    0.000
LGA    E   136_A      E   136_A    18.489     0    0.147   0.272    20.066    0.000    0.000
LGA    K   137_A      K   137_A    21.865     0    0.375   0.420    23.920    0.000    0.000
LGA    Q   138_A      Q   138_A    23.710     0    0.389   1.175    27.061    0.000    0.000
LGA    T   139_A      T   139_A    29.260     0    0.052   1.145    33.320    0.000    0.000
LGA    Q   140_A      Q   140_A    33.077     0    0.286   1.387    36.447    0.000    0.000
LGA    I   141_A      I   141_A    35.117     0    0.204   0.329    36.484    0.000    0.000
LGA    P   142_A      P   142_A    37.880     0    0.159   0.592    39.225    0.000    0.000
LGA    P   143_A      P   143_A    38.668     0    0.598   0.559    41.003    0.000    0.000
LGA    F   144_A      F   144_A    41.979     0    0.466   0.564    47.838    0.000    0.000
LGA    Q   145_A      Q   145_A    44.815     0    0.303   1.169    49.251    0.000    0.000
LGA    Q   146_A      Q   146_A    43.682     0    0.417   1.010    46.193    0.000    0.000
LGA    R   147_A      R   147_A    41.722     0    0.072   1.269    44.959    0.000    0.000
LGA    D   148_A      D   148_A    41.844     0    0.689   1.329    45.442    0.000    0.000
LGA    I   149_A      I   149_A    37.308     0    0.227   1.487    39.569    0.000    0.000
LGA    D   150_A      D   150_A    32.886     0    0.645   0.650    35.762    0.000    0.000
LGA    I   151_A      I   151_A    29.043     0    0.289   1.270    32.987    0.000    0.000
LGA    L   152_A      L   152_A    23.055     0    0.086   1.439    25.101    0.000    0.000
LGA    T   153_A      T   153_A    18.092     0    0.586   0.812    19.877    0.000    0.000
LGA    S   154_A      S   154_A    13.702     0    0.513   0.933    15.504    0.000    0.000
LGA    K   155_A      K   155_A    10.200     0    0.651   0.656    18.918    5.833    2.593
LGA    H   156_A      H   156_A     4.561     0    0.068   0.861     6.611   24.286   47.333
LGA    F   157_A      F   157_A     7.641     0    0.176   1.210    15.803   12.976    4.719
LGA    G   158_A      G   158_A     1.699     0    0.624   0.624     3.748   74.286   74.286
LGA    T   159_A      T   159_A     0.992     0    0.660   1.111     4.890   63.333   56.803
LGA    A   160_A      A   160_A     7.269     0    0.330   0.344     9.369   13.214   10.857
LGA    G   161_A      G   161_A     6.414     0    0.588   0.588     6.414   22.857   22.857
LGA    Y   162_A      Y   162_A     1.376     0    0.283   1.361     7.193   73.214   55.992
LGA    V   163_A      V   163_A     1.368     0    0.169   0.186     1.662   81.429   78.980
LGA    I   164_A      I   164_A     1.253     0    0.133   1.014     2.547   72.976   72.143
LGA    S   165_A      S   165_A     1.658     0    0.056   0.808     4.898   72.857   64.603
LGA    Q   166_A      Q   166_A     1.733     0    0.075   1.067     3.102   77.143   67.778
LGA    G   167_A      G   167_A     0.987     0    0.097   0.097     0.987   90.476   90.476
LGA    A   168_A      A   168_A     0.841     0    0.043   0.050     1.103   90.476   88.667
LGA    A   169_A      A   169_A     1.248     0    0.125   0.120     1.824   83.690   81.524
LGA    K   170_A      K   170_A     1.363     0    0.100   0.174     2.810   81.429   71.376
LGA    Y   171_A      Y   171_A     0.826     0    0.128   0.209     1.646   90.476   85.278
LGA    L   172_A      L   172_A     0.819     0    0.054   1.182     3.141   90.476   80.000
LGA    I   173_A      I   173_A     0.406     0    0.088   0.703     3.142   97.619   90.179
LGA    A   174_A      A   174_A     0.424     0    0.094   0.091     0.632   97.619   96.190
LGA    L   175_A      L   175_A     0.505     0    0.044   0.809     2.827   92.857   84.286
LGA    F   176_A      F   176_A     1.517     0    0.046   0.995     4.067   77.143   65.022
LGA    E   177_A      E   177_A     1.410     0    0.139   0.288     2.609   73.214   81.852
LGA    K   178_A      K   178_A     1.436     0    0.355   0.365     2.587   73.214   74.974
LGA    L   179_A      L   179_A     2.841     0    0.606   0.658     3.747   53.810   54.643
LGA    T   180_A      T   180_A     5.878     0    0.234   0.955    10.678   21.071   12.857
LGA    T   181_A      T   181_A     4.407     0    0.183   0.949     8.104   34.405   27.823
LGA    E   182_A      E   182_A     3.963     0    0.357   0.944     6.247   35.238   39.312
LGA    E   183_A      E   183_A     3.165     0    0.521   1.292     8.443   63.333   38.095
LGA    I   184_A      I   184_A     3.257     0    0.132   1.462     5.598   53.571   41.964
LGA    K   185_A      K   185_A     2.357     0    0.426   0.977     5.031   50.833   46.561
LGA    P   186_A      P   186_A     2.728     0    0.084   0.497     3.940   59.167   54.286
LGA    I   187_A      I   187_A     2.060     0    0.605   0.730     5.618   75.595   56.786
LGA    D   188_A      D   188_A     1.336     0    0.074   0.890     3.997   77.381   65.714
LGA    E   189_A      E   189_A     2.609     0    0.280   1.273     7.517   61.190   41.799
LGA    I   190_A      I   190_A     1.294     0    0.190   0.680     4.395   75.119   67.500
LGA    M   191_A      M   191_A     2.177     0    0.000   1.235     7.578   67.024   51.369
LGA    F   192_A      F   192_A     3.442     0    0.115   0.408     4.922   48.810   39.307
LGA    N   193_A      N   193_A     3.747     0    0.172   1.121     4.575   45.000   41.190
LGA    Q   194_A      Q   194_A     4.269     0    0.000   0.763     6.756   35.714   29.947
LGA    Q   195_A      Q   195_A     4.272     0    0.550   1.167     8.364   34.405   27.937
LGA    I   196_A      I   196_A     4.457     0    0.292   1.140     6.589   34.405   32.321
LGA    N   197_A      N   197_A     2.566     0    0.163   0.545     3.995   59.048   54.702
LGA    A   198_A      A   198_A     2.689     0    0.212   0.216     4.187   62.976   57.810
LGA    T   199_A      T   199_A     2.874     0    0.703   0.924     6.690   55.595   42.653
LGA    D   200_A      D   200_A     5.397     0    0.091   1.185     8.192   21.905   17.679
LGA    Y   201_A      Y   201_A     8.773     0    0.225   1.116    15.386   10.119    3.373
LGA    R   202_A      R   202_A     7.628     0    0.451   1.265     8.380    7.262    9.784
LGA    V   203_A      V   203_A     6.109     0    0.088   0.136     6.924   20.714   19.252
LGA    Y   204_A      Y   204_A     3.834     0    0.000   0.151     8.493   42.024   26.389
LGA    Q   205_A      Q   205_A     2.266     0    0.359   0.779     3.122   64.881   64.127
LGA    L   206_A      L   206_A     2.811     0    0.193   1.389     5.508   57.262   46.310
LGA    N   207_A      N   207_A     1.457     0    0.273   1.076     5.618   54.762   46.131
LGA    P   208_A      P   208_A     5.066     0    0.542   0.496     8.042   26.548   19.184
LGA    A   209_A      A   209_A     6.271     0    0.553   0.571     7.155   20.714   18.571
LGA    I   210_A      I   210_A     6.642     0    0.212   1.193    11.393   17.262   11.190
LGA    C   211_A      C   211_A     4.576     0    0.600   1.010     6.325   43.095   35.159
LGA    V   212_A      V   212_A     4.156     0    0.657   1.039     6.883   24.762   31.020
LGA    Q   213_A      Q   213_A     9.646     0    0.627   0.916    18.112    2.738    1.217
LGA    E   214_A      E   214_A     7.685     0    0.114   1.076     9.894    5.952    4.497
LGA    L   215_A      L   215_A     8.712     0    0.212   1.257    13.502    4.881    2.500
LGA    Q   216_A      Q   216_A     7.964     0    0.514   1.186    12.611   10.357    4.762
LGA    L   217_A      L   217_A     3.864     0    0.548   1.146     5.144   37.262   39.286
LGA    N   218_A      N   218_A     4.709     0    0.047   1.114     7.162   25.000   28.750
LGA    Q   219_A      Q   219_A     7.890     0    0.539   1.127     9.930    8.810    6.720
LGA    E   220_A      E   220_A    11.639     0    0.222   0.715    18.367    0.000    0.000
LGA    A   221_A      A   221_A     7.185     0    0.291   0.297     8.376   14.405   14.190
LGA    S   222_A      S   222_A     5.579     0    0.346   0.935     8.937   14.405   16.746
LGA    L   223_A      L   223_A    10.398     0    0.615   1.463    14.217    0.714    1.548
LGA    L   224_A      L   224_A    13.476     0    0.715   1.271    13.858    0.000    0.000
LGA    V   225_A      V   225_A    15.254     0    0.488   0.476    15.695    0.000    0.000
LGA    S   226_A      S   226_A    17.175     0    0.523   0.956    20.304    0.000    0.000
LGA    N   227_A      N   227_A    19.426     0    0.024   1.015    22.274    0.000    0.000
LGA    L   228_A      L   228_A    21.455     0    0.191   1.360    24.655    0.000    0.000
LGA    E   229_A      E   229_A    23.451     0    0.591   1.166    26.423    0.000    0.000
LGA    Q   230_A      Q   230_A    30.061     0    0.535   1.430    32.534    0.000    0.000
LGA    E   231_A      E   231_A    32.708     0    0.071   0.979    35.706    0.000    0.000
LGA    R   232_A      R   232_A    30.450     0    0.022   1.471    32.811    0.000    0.000
LGA    K   233_A      K   233_A    31.361     0    0.043   0.957    34.773    0.000    0.000
LGA    I   234_A      I   234_A    36.461     0    0.071   0.852    39.715    0.000    0.000
LGA    N   235_A      N   235_A    37.965     0    0.050   1.012    40.429    0.000    0.000
LGA    L   236_A      L   236_A    37.291     0    0.044   0.877    40.765    0.000    0.000
LGA    K   237_A      K   237_A    41.052     0    0.128   0.988    44.760    0.000    0.000
LGA    Y   238_A      Y   238_A    45.620     0    0.076   1.598    48.367    0.000    0.000
LGA    E   239_A      E   239_A    45.747     0    0.533   0.978    48.180    0.000    0.000
LGA    K   240_A      K   240_A    48.907     0    0.469   1.122    51.352    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):    13.036         13.102                 13.603           34.514   30.047

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  251  239    4.0    106    2.34    38.285    31.960     4.340

LGA_LOCAL      RMSD:   2.342  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.217  Number of assigned atoms:  239 
Std_ASGN_ATOMS RMSD:  13.036  Standard rmsd on all 239 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.200183 * X  +   0.950095 * Y  +   0.239263 * Z  + -298.878387
  Y_new =  -0.933329 * X  +  -0.110638 * Y  +  -0.341550 * Z  + 140.100082
  Z_new =  -0.298033 * X  +  -0.291684 * Y  +   0.908899 * Z  + -210.765350 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.782079  0.302632 -0.310537   [DEG: -102.1056   17.3395  -17.7925 ]
ZXZ:  0.611076  0.430161 -2.345428   [DEG:   35.0121   24.6464 -134.3831 ]
 
# END of job
