
#######################################################
#                                                     #
#                        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  222 ( 1696),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1696),  selected  222 , 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:   139      71_A - 209_A       4.89    22.20
  LONGEST_CONTINUOUS_SEGMENT:   139      72_A - 210_A       4.83    22.34
  LONGEST_CONTINUOUS_SEGMENT:   139      73_A - 211_A       4.78    22.50
  LONGEST_CONTINUOUS_SEGMENT:   139      74_A - 212_A       4.86    22.54
  LCS_AVERAGE:     45.70

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124      74_A - 197_A       1.90    23.75
  LONGEST_CONTINUOUS_SEGMENT:   124      75_A - 198_A       1.81    23.88
  LONGEST_CONTINUOUS_SEGMENT:   124      76_A - 199_A       1.87    23.95
  LCS_AVERAGE:     33.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122      76_A - 197_A       0.98    24.18
  LCS_AVERAGE:     31.59

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
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     G     1_A     G     1_A      9   10   13      4    8    9    9    9    9    9   10   11   11   11   12   12   13   14   15   15   17   19   22 
LCS_GDT     P     2_A     P     2_A      9   10   13      5    8    9    9    9    9    9   10   11   11   11   12   12   13   14   15   16   17   19   22 
LCS_GDT     H     3_A     H     3_A      9   10   13      4    8    9    9    9    9    9   10   11   11   11   12   12   13   14   15   22   38   42   44 
LCS_GDT     M     4_A     M     4_A      9   10   31      5    8    9    9    9    9    9   10   11   11   11   15   18   23   28   37   39   47   51   65 
LCS_GDT     E     5_A     E     5_A      9   10   31      5    8    9    9    9    9    9   10   11   12   17   23   28   30   32   37   39   47   51   57 
LCS_GDT     Q     6_A     Q     6_A      9   10   31      5    8    9    9    9    9   14   17   19   23   24   26   28   30   37   43   47   53   58   65 
LCS_GDT     L     7_A     L     7_A      9   10   31      5    8    9    9    9   11   14   17   19   23   26   29   29   36   47   56   57   67   72   95 
LCS_GDT     E     8_A     E     8_A      9   10   31      3    8    9    9    9    9    9   10   13   20   24   29   29   30   37   43   48   53   58   65 
LCS_GDT     G     9_A     G     9_A      9   10   31      3    5    9    9    9    9   13   17   19   22   26   29   29   30   32   35   39   44   50   55 
LCS_GDT     I    10_A     I    10_A      5   10   31      3    5    5    6    6    8    9   10   19   22   26   29   29   30   33   35   40   44   49   54 
LCS_GDT     M    11_A     M    11_A      5    6   31      3    5    5    6    6    6    8    9   11   11   12   15   27   31   33   36   39   43   45   52 
LCS_GDT     L    12_A     L    12_A      5    6   31      3    5    5    6    6   10   12   13   14   16   26   29   29   31   33   36   39   43   45   45 
LCS_GDT     S    13_A     S    13_A      5   13   31      3    5    5    6    8   12   14   17   19   23   26   29   29   31   33   36   39   43   45   52 
LCS_GDT     P    14_A     P    14_A      4   13   31      3    4    4    4    6   11   13   17   19   22   26   29   29   30   32   35   39   44   47   54 
LCS_GDT     A    15_A     A    15_A     12   16   31     10   11   12   12   14   17   17   19   22   25   26   29   30   32   34   36   40   47   51   57 
LCS_GDT     F    16_A     F    16_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   40   47   51   57 
LCS_GDT     Q    17_A     Q    17_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   40   44   50   57 
LCS_GDT     E    18_A     E    18_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   40   48   51   60 
LCS_GDT     Q    19_A     Q    19_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   37   40   41   49   54   60 
LCS_GDT     M    20_A     M    20_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   40   44   51   53 
LCS_GDT     N    21_A     N    21_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   40   47   51   57 
LCS_GDT     A    22_A     A    22_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   37   40   45   49   54   60 
LCS_GDT     L    23_A     L    23_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   41   50   59   61 
LCS_GDT     M    24_A     M    24_A     12   16   31     10   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   39   43   45   50 
LCS_GDT     L    25_A     L    25_A     12   16   31      4   11   12   12   14   17   17   20   23   25   26   29   30   32   34   36   39   43   47   50 
LCS_GDT     D    26_A     D    26_A     12   16   31      4    9   12   12   14   17   17   20   23   25   26   29   30   32   34   36   46   51   59   63 
LCS_GDT     P    27_A     P    27_A      6   16   31      4    6    8   12   14   17   17   20   23   25   26   29   30   32   34   36   42   51   59   63 
LCS_GDT     R    28_A     R    28_A      6   16   31      4    6    8   12   14   17   17   20   23   25   26   29   33   42   47   54   60   68   72   78 
LCS_GDT     M    29_A     M    29_A      6   16   31      4    6    8   12   14   17   17   20   23   25   28   31   40   51   54   61   67   72   80   89 
LCS_GDT     L    30_A     L    30_A      6   16   31      4    5    8   12   14   17   17   20   23   25   26   29   36   42   47   53   61   68   75   78 
LCS_GDT     D    31_A     D    31_A      4    9   31      3    3    4    8   11   12   15   20   23   26   35   37   43   48   53   61   68   73   77   84 
LCS_GDT     M    32_A     M    32_A      4    8   31      3    3   10   14   14   19   23   25   30   36   42   48   55   63   69   80   83   90   97  102 
LCS_GDT     M    33_A     M    33_A      4    4   31      3    3   10   14   14   19   23   26   31   36   45   52   58   68   74   81   86   93   99  110 
LCS_GDT     I    34_A     I    34_A      4    6   31      3    3    4    4    9   15   17   20   23   26   29   35   41   46   52   59   68   73   77   83 
LCS_GDT     D    35_A     D    35_A      5    6   31      4    4    5    5    5    6   10   17   21   26   29   31   35   37   41   43   46   50   60   69 
LCS_GDT     Q    36_A     Q    36_A      5    6   30      4    4    5    5    6    8   10   13   22   26   29   31   35   37   41   43   46   50   55   64 
LCS_GDT     N    37_A     N    37_A      5    6   28      4    4    5    5    5   10   11   17   17   20   25   26   30   37   41   43   46   49   55   59 
LCS_GDT     P    38_A     P    38_A      5    6   25      4    4    5    5    6    8   10   11   12   16   18   20   23   24   29   34   44   49   51   57 
LCS_GDT     Q    39_A     Q    39_A      5    6   23      3    4    5    5    6    6    9   11   13   16   19   22   31   32   34   41   46   52   61   70 
LCS_GDT     L    40_A     L    40_A      4    5   23      3    4    4    8    8    9   11   13   15   18   19   26   31   32   36   43   52   59   65   76 
LCS_GDT     R    41_A     R    41_A      4    5   23      3    4    4    5    6    8   10   12   14   16   17   20   23   25   26   29   32   40   50   55 
LCS_GDT     N    42_A     N    42_A      4    5   23      3    4    4    6    7    8   10   12   14   16   18   20   23   24   25   28   28   30   35   42 
LCS_GDT     M    43_A     M    43_A      4    5   23      3    3    4    6    7    8   10   12   14   16   18   20   23   24   25   28   28   30   30   33 
LCS_GDT     G    44_A     G    44_A      4    9   23      3    3    4    6    7    8   11   12   15   16   18   20   23   24   25   28   28   30   30   32 
LCS_GDT     P    45_A     P    45_A      9   13   23      7    7   11   11   12   13   14   14   14   16   18   20   23   24   25   28   28   30   30   32 
LCS_GDT     E    46_A     E    46_A      9   13   23      7    7   11   11   12   13   14   14   14   16   18   20   23   24   25   28   28   30   30   32 
LCS_GDT     A    47_A     A    47_A      9   13   23      7    7   11   11   12   13   14   14   14   16   18   20   23   24   25   28   28   30   30   32 
LCS_GDT     R    48_A     R    48_A      9   13   23      7    7   11   11   12   13   14   14   15   16   18   20   23   24   25   28   28   30   30   32 
LCS_GDT     Q    49_A     Q    49_A      9   13   23      7    7   11   11   12   13   14   14   14   16   18   20   23   24   25   28   28   30   30   32 
LCS_GDT     M    50_A     M    50_A      9   13   23      7    7   11   11   12   13   14   14   14   16   18   20   23   24   25   28   28   30   32   34 
LCS_GDT     L    51_A     L    51_A      9   13   23      7    7   11   11   12   13   14   14   15   16   18   20   23   24   25   28   28   30   30   32 
LCS_GDT     R    52_A     R    52_A      9   13   23      5    6   11   11   12   13   14   14   15   16   18   20   23   24   25   28   28   30   30   33 
LCS_GDT     P    53_A     P    53_A      9   13   23      5    6   11   11   12   13   14   14   15   16   18   20   22   24   25   28   28   31   38   44 
LCS_GDT     M    54_A     M    54_A      7   13   23      5    6   11   11   12   13   14   14   15   16   18   20   23   24   25   28   28   35   38   44 
LCS_GDT     F    55_A     F    55_A      7   13   23      5    6   11   11   12   13   14   14   15   16   18   20   23   24   25   28   28   30   33   39 
LCS_GDT     R    56_A     R    56_A      7   13   23      4    5    7    9   12   13   14   14   15   16   18   20   21   23   25   28   28   35   38   44 
LCS_GDT     E    57_A     E    57_A      5   13   23      3    5    6    9   11   13   14   14   15   16   18   20   21   26   27   31   34   38   41   48 
LCS_GDT     M    58_A     M    58_A      5   13   23      3    5    5    9   12   13   14   14   14   16   18   20   23   24   27   31   34   38   41   50 
LCS_GDT     M    59_A     M    59_A      3    4   23      3    3    3    4    6    7   10   14   16   19   22   25   28   32   36   39   40   45   50   55 
LCS_GDT     S    60_A     S    60_A      3    4   23      3    3    3    4    4    7   10   13   15   18   22   25   28   32   34   39   40   43   49   53 
LCS_GDT     N    61_A     N    61_A      3    4   23      3    3    3    5    5    7   11   14   18   20   24   27   29   34   37   41   49   55   63   69 
LCS_GDT     P    62_A     P    62_A      4    4   23      3    3    4    4    8   10   12   16   18   20   26   29   36   42   52   55   62   71   76   80 
LCS_GDT     E    63_A     E    63_A      4    4   23      3    3    4    4    5    6    8   11   15   16   18   21   28   32   37   40   44   48   60   67 
LCS_GDT     S    64_A     S    64_A      4    4   23      3    3    4    4    6    9   12   15   18   20   24   29   33   40   52   55   62   71   76   80 
LCS_GDT     M    65_A     M    65_A      4   11   30      0    3    5    8   13   17   21   26   31   36   43   53   61   69   79   86   88   95  105  117 
LCS_GDT     R    66_A     R    66_A      8   11  133      3    6    7   10   15   19   24   29   36   45   53   63   75   83   85   91  105  116  124  128 
LCS_GDT     S    67_A     S    67_A      8   11  135      3    6   10   14   15   19   24   32   38   46   53   67   76   83   88   96  109  120  127  129 
LCS_GDT     M    68_A     M    68_A      8   11  136      4    6   10   14   15   20   24   32   41   47   57   70   79   83   89  101  114  123  127  129 
LCS_GDT     M    69_A     M    69_A      8   11  137      4    6   10   14   15   20   28   38   46   55   66   76   81   88  102  116  124  126  128  129 
LCS_GDT     N    70_A     N    70_A      8   11  137      4    6   10   14   15   20   28   39   47   60   70   77   85   95  111  119  125  127  128  129 
LCS_GDT     M    71_A     M    71_A      8   11  139      4    6   10   14   15   21   29   40   48   60   70   77   85  100  114  122  125  127  128  129 
LCS_GDT     G    72_A     G    72_A      8   11  139      4    6   10   14   15   22   34   41   52   64   74   81   94  109  120  123  125  127  128  129 
LCS_GDT     R    73_A     R    73_A      8   11  139      3    6   10   14   19   30   42   53   67   75   88  110  119  123  124  125  125  127  128  129 
LCS_GDT     A    74_A     A    74_A      8  124  139      3    4    7   14   19   31   42   55   67   77   93  112  121  123  124  125  125  127  128  131 
LCS_GDT     W    75_A     W    75_A      3  124  139      0    3    3   10   16   33   49   68   79  103  119  122  122  123  124  125  125  127  130  132 
LCS_GDT     G    76_A     G    76_A    122  124  139      3    4   54  110  121  121  121  121  121  121  122  122  124  125  127  129  133  133  134  134 
LCS_GDT     S    77_A     S    77_A    122  124  139     41  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K    78_A     K    78_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K    79_A     K    79_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I    80_A     I    80_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L    81_A     L    81_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I    82_A     I    82_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V    83_A     V    83_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     E    84_A     E    84_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     S    85_A     S    85_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D    86_A     D    86_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     T    87_A     T    87_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A    88_A     A    88_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L    89_A     L    89_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     S    90_A     S    90_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A    91_A     A    91_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     T    92_A     T    92_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L    93_A     L    93_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     R    94_A     R    94_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     S    95_A     S    95_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A    96_A     A    96_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L    97_A     L    97_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     E    98_A     E    98_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G    99_A     G    99_A    122  124  139     91  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     R   100_A     R   100_A    122  124  139     91  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   101_A     G   101_A    122  124  139     99  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     F   102_A     F   102_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     T   103_A     T   103_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   104_A     V   104_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   105_A     D   105_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     E   106_A     E   106_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     T   107_A     T   107_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     T   108_A     T   108_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   109_A     D   109_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   110_A     G   110_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   111_A     K   111_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   112_A     G   112_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     S   113_A     S   113_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   114_A     V   114_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     E   115_A     E   115_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     Q   116_A     Q   116_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I   117_A     I   117_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     R   118_A     R   118_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     R   119_A     R   119_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   120_A     D   120_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     R   121_A     R   121_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     P   122_A     P   122_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   123_A     D   123_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   124_A     L   124_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   125_A     V   125_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   126_A     V   126_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   127_A     L   127_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   128_A     A   128_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   129_A     V   129_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   130_A     D   130_A    122  124  139     99  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   131_A     L   131_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     S   132_A     S   132_A    122  124  139     84  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   133_A     A   133_A    122  124  139     71  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   134_A     G   134_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     Q   135_A     Q   135_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     N   136_A     N   136_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   137_A     G   137_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     Y   138_A     Y   138_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   139_A     L   139_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I   140_A     I   140_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     C   141_A     C   141_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   142_A     G   142_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   143_A     K   143_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   144_A     L   144_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   145_A     K   145_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   146_A     K   146_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   147_A     D   147_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   148_A     D   148_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  125  130  132  133  133  133  134  134 
LCS_GDT     D   149_A     D   149_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   150_A     L   150_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   151_A     K   151_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     N   152_A     N   152_A    122  124  139     91  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   153_A     V   153_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     P   154_A     P   154_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I   155_A     I   155_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   156_A     V   156_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I   157_A     I   157_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I   158_A     I   158_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   159_A     G   159_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     N   160_A     N   160_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     P   161_A     P   161_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   162_A     D   162_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   163_A     G   163_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     F   164_A     F   164_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   165_A     A   165_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     Q   166_A     Q   166_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     H   167_A     H   167_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     R   168_A     R   168_A    122  124  139     99  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   169_A     K   169_A    122  124  139     69  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   170_A     L   170_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   171_A     K   171_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   172_A     A   172_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     H   173_A     H   173_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   174_A     A   174_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   175_A     D   175_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     E   176_A     E   176_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     Y   177_A     Y   177_A    122  124  139     84  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   178_A     V   178_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   179_A     A   179_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     K   180_A     K   180_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     P   181_A     P   181_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   182_A     V   182_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   183_A     D   183_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   184_A     A   184_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     D   185_A     D   185_A    122  124  139     86  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     Q   186_A     Q   186_A    122  124  139     20  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   187_A     L   187_A    122  124  139     24  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   188_A     V   188_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     E   189_A     E   189_A    122  124  139     24  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     R   190_A     R   190_A    122  124  139     24  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   191_A     A   191_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   192_A     G   192_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     A   193_A     A   193_A    122  124  139     99  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     L   194_A     L   194_A    122  124  139     32  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     I   195_A     I   195_A    122  124  139    100  118  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     G   196_A     G   196_A    122  124  139     22  102  120  120  121  121  121  121  121  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     F   197_A     F   197_A    122  124  139      3    7   12   20   32   53   77  101  120  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     P   198_A     P   198_A      9  124  139      3    7    9   10   19   28   38   50   63   80   99  115  126  130  132  133  133  133  134  134 
LCS_GDT     E   199_A     E   199_A      9  124  139      5    7    9   15   20   30   42   53   67   91  105  118  126  130  132  133  133  133  134  134 
LCS_GDT     G   200_A     G   200_A      9   12  139      5    7    9   15   26   40   57   77   96  112  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     N   201_A     N   201_A      9   12  139      5    7    9   15   21   30   41   56   75   93  111  121  126  130  132  133  133  133  134  134 
LCS_GDT     S   202_A     S   202_A      9   12  139      5    7    9   13   19   26   37   47   59   69   86   98  114  125  132  133  133  133  134  134 
LCS_GDT     M   203_A     M   203_A      9   12  139      5    7    9   15   20   30   41   53   67   84  100  115  125  130  132  133  133  133  134  134 
LCS_GDT     M   204_A     M   204_A      9   12  139      5    7    9   15   21   30   42   53   68   91  105  118  126  130  132  133  133  133  134  134 
LCS_GDT     I   205_A     I   205_A      9   12  139      5    7    9   15   21   30   42   53   67   84   99  114  125  130  132  133  133  133  134  134 
LCS_GDT     A   206_A     A   206_A      9   12  139      5    6    9   12   20   30   42   53   67   84   98  114  125  130  132  133  133  133  134  134 
LCS_GDT     L   207_A     L   207_A      5   12  139      3    4    5    6   10   11   12   13   20   36   78   96  109  124  130  133  133  133  134  134 
LCS_GDT     G   208_A     G   208_A      5   12  139      3    7   15   27   36   54   77   99  113  122  123  123  126  130  132  133  133  133  134  134 
LCS_GDT     V   209_A     V   209_A      5    5  139      3    4    6    9   20   29   38   51   67   82   95  113  124  129  132  133  133  133  134  134 
LCS_GDT     A   210_A     A   210_A      5    5  139      1    4    6    9   15   23   28   36   46   55   65   75   86   96  111  121  128  133  134  134 
LCS_GDT     C   211_A     C   211_A      3    5  139      3    3    4    5    6    6    7   22   26   32   43   56   70   78   90  104  117  124  130  133 
LCS_GDT     A   212_A     A   212_A      3    5  139      3    3    4    5    7   10   17   23   31   37   44   54   64   73   84   94  106  116  124  130 
LCS_GDT     I   213_A     I   213_A      3    5  138      3    3    5    5    8   15   19   23   28   35   43   51   57   65   73   83   94  103  109  120 
LCS_GDT     A   214_A     A   214_A      3    5   39      3    3    5    5    8   15   19   23   31   36   43   52   61   67   77   83   98  106  117  124 
LCS_GDT     L   215_A     L   215_A      3    4   39      3    4    6    9   12   17   21   26   32   42   49   59   68   78   88  100  111  121  128  133 
LCS_GDT     A   216_A     A   216_A      3    5   35      3    3    3    4    6    6    8   18   21   24   29   37   42   48   57   64   78   83   91  107 
LCS_GDT     I   217_A     I   217_A      3    5   28      3    3    3    4    6    6    7   10   12   12   12   15   22   30   31   40   50   53   60   65 
LCS_GDT     A   218_A     A   218_A      3    5   17      3    3    4    5    6    6    7    8   10   12   14   15   18   24   26   31   37   44   47   55 
LCS_GDT     A   219_A     A   219_A      3    5   17      3    3    4    4    5    6    7    9   10   12   14   15   16   24   26   30   33   44   45   51 
LCS_GDT     V   220_A     V   220_A      3    5   17      3    3    4    4    5    5    6    9   10   12   14   15   16   18   22   27   32   36   44   47 
LCS_GDT     Y   221_A     Y   221_A      3    5   17      3    3    4    4    4    5    6    9   10   12   14   15   16   18   24   27   32   39   44   47 
LCS_GDT     F   222_A     F   222_A      3    4   17      3    3    3    4    4    4    6    7    7   11   13   14   16   17   20   23   23   31   38   47 
LCS_AVERAGE  LCS_A:  36.98  (  31.59   33.65   45.70 )

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    100    118    120    120    121    121    121    121    121    122    123    123    126    130    132    133    133    133    134    134 
GDT PERCENT_AT  45.05  53.15  54.05  54.05  54.50  54.50  54.50  54.50  54.50  54.95  55.41  55.41  56.76  58.56  59.46  59.91  59.91  59.91  60.36  60.36
GDT RMS_LOCAL    0.28   0.39   0.44   0.44   0.58   0.58   0.58   0.58   0.58   1.43   1.73   1.73   2.72   3.29   3.62   3.77   3.77   3.65   3.80   3.80
GDT RMS_ALL_AT  24.45  24.41  24.34  24.34  24.28  24.28  24.28  24.28  24.28  24.10  23.97  23.97  23.53  23.30  23.08  23.11  23.11  23.05  23.08  23.08

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  Y   177_A      Y   177_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  F   222_A      F   222_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    36.965     0    0.348   0.348    38.989    0.000    0.000
LGA    P     2_A      P     2_A    32.659     0    0.095   0.095    35.908    0.000    0.000
LGA    H     3_A      H     3_A    30.241     0    0.113   0.256    32.302    0.000    0.000
LGA    M     4_A      M     4_A    29.510     0    0.185   0.991    31.518    0.000    0.000
LGA    E     5_A      E     5_A    31.371     0    0.065   1.278    32.654    0.000    0.000
LGA    Q     6_A      Q     6_A    26.435     0    0.024   1.127    27.903    0.000    0.000
LGA    L     7_A      L     7_A    25.625     0    0.045   1.273    27.089    0.000    0.000
LGA    E     8_A      E     8_A    30.373     0    0.621   1.674    33.340    0.000    0.000
LGA    G     9_A      G     9_A    31.193     0    0.536   0.536    33.630    0.000    0.000
LGA    I    10_A      I    10_A    29.697     0    0.075   1.067    33.454    0.000    0.000
LGA    M    11_A      M    11_A    32.148     0    0.058   1.047    36.782    0.000    0.000
LGA    L    12_A      L    12_A    38.214     0    0.690   1.423    41.062    0.000    0.000
LGA    S    13_A      S    13_A    39.783     0    0.040   0.051    41.687    0.000    0.000
LGA    P    14_A      P    14_A    43.183     0    0.593   0.557    44.570    0.000    0.000
LGA    A    15_A      A    15_A    43.731     0    0.616   0.588    43.731    0.000    0.000
LGA    F    16_A      F    16_A    43.763     0    0.049   1.293    45.882    0.000    0.000
LGA    Q    17_A      Q    17_A    50.075     0    0.042   0.903    57.136    0.000    0.000
LGA    E    18_A      E    18_A    47.899     0    0.042   1.081    48.352    0.000    0.000
LGA    Q    19_A      Q    19_A    43.139     0    0.046   0.186    44.636    0.000    0.000
LGA    M    20_A      M    20_A    47.947     0    0.081   1.312    50.225    0.000    0.000
LGA    N    21_A      N    21_A    52.103     0    0.039   0.595    56.567    0.000    0.000
LGA    A    22_A      A    22_A    47.097     0    0.023   0.036    48.471    0.000    0.000
LGA    L    23_A      L    23_A    45.819     0    0.066   0.339    48.168    0.000    0.000
LGA    M    24_A      M    24_A    52.665     0    0.250   1.026    55.203    0.000    0.000
LGA    L    25_A      L    25_A    54.037     0    0.032   1.409    56.711    0.000    0.000
LGA    D    26_A      D    26_A    49.750     0    0.045   0.948    50.637    0.000    0.000
LGA    P    27_A      P    27_A    50.288     0    0.070   0.377    54.748    0.000    0.000
LGA    R    28_A      R    28_A    45.256     0    0.054   1.073    47.256    0.000    0.000
LGA    M    29_A      M    29_A    39.684     0    0.136   0.910    42.038    0.000    0.000
LGA    L    30_A      L    30_A    42.026     0    0.633   1.313    45.952    0.000    0.000
LGA    D    31_A      D    31_A    41.680     0    0.596   1.125    42.909    0.000    0.000
LGA    M    32_A      M    32_A    39.925     0    0.042   0.763    40.482    0.000    0.000
LGA    M    33_A      M    33_A    37.208     0    0.627   0.951    38.839    0.000    0.000
LGA    I    34_A      I    34_A    42.389     0    0.567   1.105    46.529    0.000    0.000
LGA    D    35_A      D    35_A    40.740     0    0.098   0.964    41.349    0.000    0.000
LGA    Q    36_A      Q    36_A    40.817     0    0.203   1.244    41.005    0.000    0.000
LGA    N    37_A      N    37_A    39.836     0    0.105   0.636    41.058    0.000    0.000
LGA    P    38_A      P    38_A    42.008     0    0.651   0.575    42.609    0.000    0.000
LGA    Q    39_A      Q    39_A    39.914     0    0.236   1.281    40.388    0.000    0.000
LGA    L    40_A      L    40_A    40.365     0    0.144   1.420    42.644    0.000    0.000
LGA    R    41_A      R    41_A    39.145     0    0.093   0.905    41.758    0.000    0.000
LGA    N    42_A      N    42_A    39.561     0    0.764   0.747    42.036    0.000    0.000
LGA    M    43_A      M    43_A    38.252     0    0.309   0.757    38.252    0.000    0.000
LGA    G    44_A      G    44_A    39.020     0    0.094   0.094    39.077    0.000    0.000
LGA    P    45_A      P    45_A    38.049     0    0.622   0.551    39.790    0.000    0.000
LGA    E    46_A      E    46_A    41.073     0    0.032   1.301    44.330    0.000    0.000
LGA    A    47_A      A    47_A    37.448     0    0.047   0.054    38.454    0.000    0.000
LGA    R    48_A      R    48_A    37.194     0    0.055   1.936    39.114    0.000    0.000
LGA    Q    49_A      Q    49_A    42.040     0    0.112   1.239    45.249    0.000    0.000
LGA    M    50_A      M    50_A    41.139     0    0.254   0.350    43.807    0.000    0.000
LGA    L    51_A      L    51_A    37.790     0    0.062   0.351    38.783    0.000    0.000
LGA    R    52_A      R    52_A    40.605     0    0.015   1.082    42.588    0.000    0.000
LGA    P    53_A      P    53_A    45.108     0    0.068   0.261    46.481    0.000    0.000
LGA    M    54_A      M    54_A    42.483     0    0.115   0.631    44.870    0.000    0.000
LGA    F    55_A      F    55_A    39.353     0    0.035   0.879    40.957    0.000    0.000
LGA    R    56_A      R    56_A    43.764     0    0.023   1.316    53.507    0.000    0.000
LGA    E    57_A      E    57_A    46.693     0    0.084   1.135    51.959    0.000    0.000
LGA    M    58_A      M    58_A    43.327     0    0.340   0.829    44.194    0.000    0.000
LGA    M    59_A      M    59_A    41.238     0    0.726   1.583    42.016    0.000    0.000
LGA    S    60_A      S    60_A    42.521     0    0.642   0.743    44.707    0.000    0.000
LGA    N    61_A      N    61_A    38.601     0    0.587   1.162    40.102    0.000    0.000
LGA    P    62_A      P    62_A    38.255     0    0.359   0.632    38.819    0.000    0.000
LGA    E    63_A      E    63_A    40.988     0    0.079   0.784    45.491    0.000    0.000
LGA    S    64_A      S    64_A    37.060     0    0.571   0.699    38.450    0.000    0.000
LGA    M    65_A      M    65_A    30.235     0    0.536   1.100    32.714    0.000    0.000
LGA    R    66_A      R    66_A    27.724     0    0.569   1.518    31.218    0.000    0.000
LGA    S    67_A      S    67_A    27.071     0    0.144   0.741    28.825    0.000    0.000
LGA    M    68_A      M    68_A    25.023     0    0.031   0.394    30.634    0.000    0.000
LGA    M    69_A      M    69_A    22.249     0    0.046   0.631    23.535    0.000    0.000
LGA    N    70_A      N    70_A    21.638     0    0.085   1.291    22.756    0.000    0.000
LGA    M    71_A      M    71_A    21.038     0    0.102   0.973    21.761    0.000    0.000
LGA    G    72_A      G    72_A    18.644     0    0.035   0.035    19.713    0.000    0.000
LGA    R    73_A      R    73_A    15.140     0    0.587   0.719    19.540    0.000    0.000
LGA    A    74_A      A    74_A    14.747     0    0.650   0.604    16.062    0.000    0.000
LGA    W    75_A      W    75_A    11.665     0    0.695   1.228    23.007    1.071    0.306
LGA    G    76_A      G    76_A     4.094     0    0.646   0.646     6.880   43.095   43.095
LGA    S    77_A      S    77_A     1.332     0    0.023   0.545     2.533   71.190   69.127
LGA    K    78_A      K    78_A     0.133     0    0.025   0.600     4.662  100.000   80.688
LGA    K    79_A      K    79_A     0.244     0    0.055   0.879     5.645  100.000   73.228
LGA    I    80_A      I    80_A     0.397     0    0.042   0.073     0.540  100.000   98.810
LGA    L    81_A      L    81_A     0.193     0    0.026   0.058     0.335  100.000  100.000
LGA    I    82_A      I    82_A     0.182     0    0.038   0.581     1.911  100.000   95.417
LGA    V    83_A      V    83_A     0.073     0    0.032   0.071     0.307  100.000  100.000
LGA    E    84_A      E    84_A     0.097     0    0.053   0.595     1.518  100.000   93.862
LGA    S    85_A      S    85_A     0.230     0    0.045   0.613     1.690  100.000   93.889
LGA    D    86_A      D    86_A     0.411     0    0.033   0.092     0.455  100.000  100.000
LGA    T    87_A      T    87_A     0.369     0    0.034   0.905     2.220  100.000   89.932
LGA    A    88_A      A    88_A     0.372     0    0.029   0.036     0.559  100.000   98.095
LGA    L    89_A      L    89_A     0.357     0    0.031   0.083     0.696  100.000   97.619
LGA    S    90_A      S    90_A     0.284     0    0.028   0.585     2.025  100.000   94.127
LGA    A    91_A      A    91_A     0.245     0    0.034   0.039     0.485  100.000  100.000
LGA    T    92_A      T    92_A     0.360     0    0.043   0.164     0.880  100.000   95.918
LGA    L    93_A      L    93_A     0.369     0    0.039   0.063     0.689  100.000   95.238
LGA    R    94_A      R    94_A     0.230     0    0.030   0.872     4.813  100.000   83.463
LGA    S    95_A      S    95_A     0.159     0    0.046   0.646     2.195  100.000   94.127
LGA    A    96_A      A    96_A     0.201     0    0.029   0.050     0.239  100.000  100.000
LGA    L    97_A      L    97_A     0.267     0    0.029   0.150     0.651  100.000   97.619
LGA    E    98_A      E    98_A     0.265     0    0.034   0.317     1.554  100.000   91.799
LGA    G    99_A      G    99_A     0.692     0    0.091   0.091     1.273   88.214   88.214
LGA    R   100_A      R   100_A     0.863     0    0.072   1.282     4.776   90.476   70.779
LGA    G   101_A      G   101_A     0.728     0    0.050   0.050     0.848   90.476   90.476
LGA    F   102_A      F   102_A     0.414     0    0.028   0.097     1.175  100.000   91.472
LGA    T   103_A      T   103_A     0.214     0    0.049   0.996     2.310  100.000   89.932
LGA    V   104_A      V   104_A     0.222     0    0.061   0.075     0.409  100.000  100.000
LGA    D   105_A      D   105_A     0.419     0    0.053   1.094     3.527  100.000   81.964
LGA    E   106_A      E   106_A     0.200     0    0.052   0.587     1.635  100.000   91.746
LGA    T   107_A      T   107_A     0.064     0    0.018   0.046     0.429  100.000  100.000
LGA    T   108_A      T   108_A     0.134     0    0.044   0.170     0.432  100.000  100.000
LGA    D   109_A      D   109_A     0.245     0    0.019   0.223     0.659  100.000   97.619
LGA    G   110_A      G   110_A     0.224     0    0.031   0.031     0.224  100.000  100.000
LGA    K   111_A      K   111_A     0.271     0    0.027   1.411     6.181  100.000   80.582
LGA    G   112_A      G   112_A     0.270     0    0.087   0.087     0.575   97.619   97.619
LGA    S   113_A      S   113_A     0.304     0    0.043   0.043     0.373  100.000  100.000
LGA    V   114_A      V   114_A     0.205     0    0.024   0.933     2.357  100.000   91.088
LGA    E   115_A      E   115_A     0.417     0    0.058   0.228     1.684  100.000   90.741
LGA    Q   116_A      Q   116_A     0.253     0    0.025   0.708     2.015  100.000   89.894
LGA    I   117_A      I   117_A     0.091     0    0.037   1.248     2.447  100.000   86.786
LGA    R   118_A      R   118_A     0.291     0    0.053   0.117     1.257  100.000   91.515
LGA    R   119_A      R   119_A     0.401     0    0.037   0.988     3.343  100.000   91.169
LGA    D   120_A      D   120_A     0.425     0    0.664   1.285     3.141   80.476   76.131
LGA    R   121_A      R   121_A     0.417     0    0.190   0.945     2.522   97.619   84.459
LGA    P   122_A      P   122_A     0.228     0    0.071   0.235     0.649  100.000   97.279
LGA    D   123_A      D   123_A     0.353     0    0.077   0.271     0.750   97.619   96.429
LGA    L   124_A      L   124_A     0.284     0    0.020   0.230     0.735  100.000   97.619
LGA    V   125_A      V   125_A     0.231     0    0.035   0.072     0.358  100.000  100.000
LGA    V   126_A      V   126_A     0.228     0    0.057   0.067     0.328  100.000  100.000
LGA    L   127_A      L   127_A     0.089     0    0.056   0.119     0.589  100.000   98.810
LGA    A   128_A      A   128_A     0.187     0    0.033   0.042     0.268  100.000  100.000
LGA    V   129_A      V   129_A     0.203     0    0.020   0.118     0.508  100.000   98.639
LGA    D   130_A      D   130_A     0.508     0    0.023   0.317     1.762   95.238   88.393
LGA    L   131_A      L   131_A     0.336     0    0.035   0.230     1.295  100.000   92.976
LGA    S   132_A      S   132_A     0.761     0    0.468   0.943     3.789   76.667   79.921
LGA    A   133_A      A   133_A     1.044     0    0.650   0.668     3.630   72.024   73.905
LGA    G   134_A      G   134_A     0.571     0    0.182   0.182     0.658   95.238   95.238
LGA    Q   135_A      Q   135_A     0.070     0    0.083   0.686     1.964  100.000   92.804
LGA    N   136_A      N   136_A     0.410     0    0.019   0.123     1.170  100.000   94.107
LGA    G   137_A      G   137_A     0.323     0    0.027   0.027     0.396  100.000  100.000
LGA    Y   138_A      Y   138_A     0.353     0    0.025   0.182     0.605  100.000   96.032
LGA    L   139_A      L   139_A     0.459     0    0.025   0.159     0.966  100.000   95.238
LGA    I   140_A      I   140_A     0.311     0    0.029   0.614     2.261  100.000   95.595
LGA    C   141_A      C   141_A     0.320     0    0.036   0.045     0.448  100.000  100.000
LGA    G   142_A      G   142_A     0.217     0    0.044   0.044     0.371  100.000  100.000
LGA    K   143_A      K   143_A     0.317     0    0.025   0.539     2.378  100.000   94.021
LGA    L   144_A      L   144_A     0.115     0    0.035   0.232     0.616  100.000   98.810
LGA    K   145_A      K   145_A     0.167     0    0.075   0.251     1.216   97.619   95.820
LGA    K   146_A      K   146_A     0.384     0    0.101   0.821     2.896   97.619   91.058
LGA    D   147_A      D   147_A     0.217     0    0.021   0.224     0.664  100.000   98.810
LGA    D   148_A      D   148_A     0.253     0    0.046   0.725     2.391  100.000   93.214
LGA    D   149_A      D   149_A     0.418     0    0.044   0.924     3.473  100.000   82.798
LGA    L   150_A      L   150_A     0.405     0    0.101   1.140     2.901  100.000   87.738
LGA    K   151_A      K   151_A     0.307     0    0.076   0.932     3.540   97.619   80.000
LGA    N   152_A      N   152_A     0.698     0    0.162   0.307     2.493   95.238   84.107
LGA    V   153_A      V   153_A     0.345     0    0.045   1.089     2.335  100.000   89.728
LGA    P   154_A      P   154_A     0.157     0    0.041   0.071     0.343  100.000  100.000
LGA    I   155_A      I   155_A     0.136     0    0.020   0.629     1.770  100.000   95.417
LGA    V   156_A      V   156_A     0.156     0    0.034   0.088     0.343  100.000  100.000
LGA    I   157_A      I   157_A     0.058     0    0.022   0.188     0.479  100.000  100.000
LGA    I   158_A      I   158_A     0.115     0    0.015   0.112     0.317  100.000  100.000
LGA    G   159_A      G   159_A     0.166     0    0.033   0.033     0.166  100.000  100.000
LGA    N   160_A      N   160_A     0.185     0    0.089   0.775     3.486  100.000   83.988
LGA    P   161_A      P   161_A     0.408     0    0.051   0.102     0.606   97.619   94.558
LGA    D   162_A      D   162_A     0.547     0    0.013   1.075     4.029   92.857   74.940
LGA    G   163_A      G   163_A     0.339     0    0.124   0.124     0.339  100.000  100.000
LGA    F   164_A      F   164_A     0.294     0    0.045   0.454     1.242  100.000   91.472
LGA    A   165_A      A   165_A     0.223     0    0.020   0.035     0.245  100.000  100.000
LGA    Q   166_A      Q   166_A     0.328     0    0.040   0.992     3.627  100.000   83.651
LGA    H   167_A      H   167_A     0.452     0    0.058   1.085     3.545  100.000   86.286
LGA    R   168_A      R   168_A     0.516     0    0.029   1.065     3.839   92.857   85.411
LGA    K   169_A      K   169_A     0.872     0    0.153   0.288     4.279   95.238   76.349
LGA    L   170_A      L   170_A     0.408     0    0.038   0.786     2.097   95.238   88.631
LGA    K   171_A      K   171_A     0.451     0    0.051   0.914     4.795   95.238   73.862
LGA    A   172_A      A   172_A     0.201     0    0.110   0.108     0.321  100.000  100.000
LGA    H   173_A      H   173_A     0.476     0    0.034   0.366     0.913  100.000   95.238
LGA    A   174_A      A   174_A     0.311     0    0.016   0.037     0.409  100.000  100.000
LGA    D   175_A      D   175_A     0.323     0    0.049   0.536     1.483  100.000   95.357
LGA    E   176_A      E   176_A     0.437     0    0.018   1.291     4.594   97.619   77.725
LGA    Y   177_A      Y   177_A     0.684     0    0.043   0.191     1.389   90.476   86.706
LGA    V   178_A      V   178_A     0.402     0    0.063   0.137     1.114   97.619   93.265
LGA    A   179_A      A   179_A     0.137     0    0.023   0.031     0.342  100.000  100.000
LGA    K   180_A      K   180_A     0.141     0    0.073   0.384     1.446  100.000   93.757
LGA    P   181_A      P   181_A     0.184     0    0.061   0.416     1.721  100.000   94.762
LGA    V   182_A      V   182_A     0.081     0    0.041   1.130     2.579  100.000   88.844
LGA    D   183_A      D   183_A     0.110     0    0.106   0.526     2.658   97.619   83.512
LGA    A   184_A      A   184_A     0.257     0    0.059   0.067     0.472  100.000  100.000
LGA    D   185_A      D   185_A     0.640     0    0.030   0.295     1.694   92.857   86.071
LGA    Q   186_A      Q   186_A     0.945     0    0.033   0.862     4.726   90.476   72.169
LGA    L   187_A      L   187_A     0.772     0    0.052   1.154     3.213   90.476   83.155
LGA    V   188_A      V   188_A     0.423     0    0.032   0.168     0.685   95.238   95.918
LGA    E   189_A      E   189_A     0.689     0    0.032   0.493     2.271   90.476   83.704
LGA    R   190_A      R   190_A     0.678     0    0.039   1.704    10.083   90.476   49.913
LGA    A   191_A      A   191_A     0.518     0    0.039   0.044     0.522   95.238   96.190
LGA    G   192_A      G   192_A     0.492     0    0.082   0.082     0.889   95.238   95.238
LGA    A   193_A      A   193_A     0.540     0    0.081   0.091     0.910   92.857   92.381
LGA    L   194_A      L   194_A     0.707     0    0.046   0.135     1.358   90.476   87.083
LGA    I   195_A      I   195_A     0.543     0    0.674   1.118     3.686   82.738   77.381
LGA    G   196_A      G   196_A     1.899     0    0.569   0.569     6.056   48.571   48.571
LGA    F   197_A      F   197_A     8.879     0    0.657   1.075    11.034    5.000    6.926
LGA    P   198_A      P   198_A    12.832     0    0.123   0.477    14.090    0.000    0.000
LGA    E   199_A      E   199_A    13.346     0    0.053   1.204    13.612    0.000    0.000
LGA    G   200_A      G   200_A    11.903     0    0.098   0.098    12.842    0.000    0.000
LGA    N   201_A      N   201_A    13.252     0    0.639   1.472    15.030    0.000    0.000
LGA    S   202_A      S   202_A    16.473     0    0.104   0.794    16.705    0.000    0.000
LGA    M   203_A      M   203_A    15.830     0    0.097   0.147    16.273    0.000    0.000
LGA    M   204_A      M   204_A    15.807     0    0.058   1.232    18.685    0.000    0.000
LGA    I   205_A      I   205_A    16.438     0    0.405   1.057    17.548    0.000    0.000
LGA    A   206_A      A   206_A    16.581     0    0.120   0.133    17.004    0.000    0.000
LGA    L   207_A      L   207_A    18.257     0    0.167   1.397    21.173    0.000    0.000
LGA    G   208_A      G   208_A    13.040     0    0.064   0.064    14.891    0.000    0.000
LGA    V   209_A      V   209_A    18.689     0    0.605   0.634    22.619    0.000    0.000
LGA    A   210_A      A   210_A    24.224     0    0.610   0.602    26.278    0.000    0.000
LGA    C   211_A      C   211_A    23.467     0    0.574   1.024    25.148    0.000    0.000
LGA    A   212_A      A   212_A    25.613     0    0.621   0.590    27.900    0.000    0.000
LGA    I   213_A      I   213_A    31.373     0    0.603   0.937    35.911    0.000    0.000
LGA    A   214_A      A   214_A    31.903     0    0.587   0.585    33.861    0.000    0.000
LGA    L   215_A      L   215_A    30.832     0    0.615   0.662    31.272    0.000    0.000
LGA    A   216_A      A   216_A    33.625     0    0.620   0.610    36.706    0.000    0.000
LGA    I   217_A      I   217_A    39.654     0    0.573   1.488    43.697    0.000    0.000
LGA    A   218_A      A   218_A    37.386     0    0.597   0.596    37.813    0.000    0.000
LGA    A   219_A      A   219_A    35.307     0    0.634   0.613    38.615    0.000    0.000
LGA    V   220_A      V   220_A    40.502     0    0.672   0.765    41.375    0.000    0.000
LGA    Y   221_A      Y   221_A    43.861     0    0.694   1.407    48.148    0.000    0.000
LGA    F   222_A      F   222_A    42.927     0    0.326   1.279    44.193    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1696   1696  100.00               222
SUMMARY(RMSD_GDC):    15.709         15.698                 16.169           52.692   49.442

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    121    0.58    55.405    49.730    17.743

LGA_LOCAL      RMSD:   0.582  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.277  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  15.709  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.152164 * X  +  -0.945737 * Y  +  -0.287103 * Z  +  53.345047
  Y_new =   0.202725 * X  +  -0.314174 * Y  +   0.927468 * Z  +  17.250572
  Z_new =  -0.967341 * X  +   0.082924 * Y  +   0.239531 * Z  +  21.732922 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.214675  1.314522  0.333280   [DEG:  126.8915   75.3166   19.0955 ]
ZXZ: -2.841393  1.328914 -1.485282   [DEG: -162.7998   76.1412  -85.1004 ]
 
# END of job
