
#######################################################
#                                                     #
#                        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:   136      68_A - 203_A       4.96    21.73
  LONGEST_CONTINUOUS_SEGMENT:   136      69_A - 204_A       4.86    21.85
  LONGEST_CONTINUOUS_SEGMENT:   136      70_A - 205_A       4.82    21.94
  LONGEST_CONTINUOUS_SEGMENT:   136      71_A - 206_A       4.88    22.05
  LONGEST_CONTINUOUS_SEGMENT:   136      72_A - 207_A       4.87    22.18
  LONGEST_CONTINUOUS_SEGMENT:   136      73_A - 208_A       4.79    22.35
  LONGEST_CONTINUOUS_SEGMENT:   136      74_A - 209_A       4.86    22.46
  LONGEST_CONTINUOUS_SEGMENT:   136      75_A - 210_A       4.94    22.64
  LONGEST_CONTINUOUS_SEGMENT:   136      76_A - 211_A       4.94    22.81
  LCS_AVERAGE:     44.52

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124      74_A - 197_A       1.87    23.52
  LONGEST_CONTINUOUS_SEGMENT:   124      75_A - 198_A       1.82    23.61
  LONGEST_CONTINUOUS_SEGMENT:   124      76_A - 199_A       1.93    23.65
  LCS_AVERAGE:     33.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122      76_A - 197_A       0.99    23.89
  LCS_AVERAGE:     31.66

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      3    3   16      0    3    3    3    3    5    6    6    9   11   11   13   14   16   16   19   19   19   20   21 
LCS_GDT     P     2_A     P     2_A      4   10   16      3    4    8    9    9   10   10   10   11   12   13   13   15   16   17   19   20   21   22   24 
LCS_GDT     H     3_A     H     3_A      8   10   17      3    4    5    9    9   10   10   10   12   12   14   15   16   17   19   21   25   30   33   35 
LCS_GDT     M     4_A     M     4_A      8   10   24      7    7    8    9    9   10   10   10   12   12   14   15   18   27   32   34   37   39   41   44 
LCS_GDT     E     5_A     E     5_A      8   10   30      7    7    8    9    9   10   10   10   12   15   21   29   32   33   36   36   38   39   41   44 
LCS_GDT     Q     6_A     Q     6_A      8   10   30      7    7    8    9    9   10   10   14   17   19   22   24   26   28   36   37   45   48   54   59 
LCS_GDT     L     7_A     L     7_A      8   10   30      7    7    8    9    9   10   11   15   19   23   26   29   32   33   36   36   45   48   54   59 
LCS_GDT     E     8_A     E     8_A      8   10   30      7    7    8    9    9   10   11   17   22   23   26   29   32   33   36   36   38   40   44   51 
LCS_GDT     G     9_A     G     9_A      8   10   30      7    7    8    9   14   16   19   21   24   25   26   29   32   33   36   38   42   46   49   54 
LCS_GDT     I    10_A     I    10_A      8   10   30      7    8   10   13   15   18   19   22   24   26   26   28   30   33   36   38   42   46   51   55 
LCS_GDT     M    11_A     M    11_A      4   10   30      3    4    5    6    9   15   19   22   24   26   26   28   30   31   33   38   42   46   47   53 
LCS_GDT     L    12_A     L    12_A      5    6   30      3    4    5    5    7    8    9   12   13   15   17   24   26   29   31   34   36   39   46   51 
LCS_GDT     S    13_A     S    13_A      5   14   30      3    4    5    9   11   14   16   22   23   24   26   27   30   30   32   34   36   38   46   48 
LCS_GDT     P    14_A     P    14_A      5   15   30      3    4    5    9   13   15   19   22   24   26   26   28   30   31   32   35   36   39   46   47 
LCS_GDT     A    15_A     A    15_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   36   38   44   50   55 
LCS_GDT     F    16_A     F    16_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   38   42   46   50   55 
LCS_GDT     Q    17_A     Q    17_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   36   38   40   46   51 
LCS_GDT     E    18_A     E    18_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   36   38   44   50   55 
LCS_GDT     Q    19_A     Q    19_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   38   42   46   51   55 
LCS_GDT     M    20_A     M    20_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   38   42   46   49   54 
LCS_GDT     N    21_A     N    21_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   36   38   42   45   51 
LCS_GDT     A    22_A     A    22_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   38   42   46   49   54 
LCS_GDT     L    23_A     L    23_A     12   16   30     10   11   12   13   15   19   21   22   24   26   26   29   32   33   36   40   45   48   54   60 
LCS_GDT     M    24_A     M    24_A     12   16   30     10   11   12   13   15   19   21   22   24   26   26   29   32   33   36   36   39   46   49   54 
LCS_GDT     L    25_A     L    25_A     12   16   30     10   11   12   13   16   19   21   22   24   26   26   29   32   33   36   36   39   46   49   54 
LCS_GDT     D    26_A     D    26_A     12   16   30      4   10   12   13   16   19   21   22   24   26   26   29   32   33   36   40   45   48   54   59 
LCS_GDT     P    27_A     P    27_A      7   16   30      4    6    9   12   16   19   21   22   24   26   26   29   32   33   36   40   45   49   54   59 
LCS_GDT     R    28_A     R    28_A      7   16   30      4    6    9   12   16   19   21   22   24   26   27   29   32   40   47   55   62   67   75   80 
LCS_GDT     M    29_A     M    29_A      7   16   30      4    6    9   12   16   19   21   22   24   26   27   30   37   43   53   60   66   71   77   85 
LCS_GDT     L    30_A     L    30_A      7   16   30      3    6    9   12   16   19   21   22   24   26   28   35   40   46   50   55   66   71   76   81 
LCS_GDT     D    31_A     D    31_A      6   13   30      3    5    5    8   13   16   18   21   24   29   35   42   47   52   61   66   72   76   81   88 
LCS_GDT     M    32_A     M    32_A      4   13   30      3    5    9   12   16   19   21   22   28   35   41   47   54   61   68   77   81   87   94   98 
LCS_GDT     M    33_A     M    33_A      4    4   30      3    3    4   12   15   19   21   22   27   32   40   45   53   61   67   77   81   87   94   97 
LCS_GDT     I    34_A     I    34_A      4    6   30      3    3    9   12   16   18   21   22   24   26   32   38   44   47   54   61   68   74   77   82 
LCS_GDT     D    35_A     D    35_A      5    6   30      4    5    5    8   10   14   17   22   22   25   28   32   33   37   46   52   62   71   76   82 
LCS_GDT     Q    36_A     Q    36_A      5    6   30      4    5    5    5    5    7   15   22   22   25   28   32   33   36   52   57   62   71   75   79 
LCS_GDT     N    37_A     N    37_A      5    6   30      4    5    5    5   10   12   16   22   22   25   28   32   33   36   41   57   62   71   75   79 
LCS_GDT     P    38_A     P    38_A      5    6   25      4    5    5    5    5    7    8    9   11   13   15   19   20   22   23   43   44   45   48   51 
LCS_GDT     Q    39_A     Q    39_A      5    6   23      3    5    5    5    5    7    8    9   11   14   18   32   33   36   41   46   57   66   74   81 
LCS_GDT     L    40_A     L    40_A      3    6   23      3    3    3    5    8    9   10   13   14   17   20   22   29   36   46   52   57   66   74   79 
LCS_GDT     R    41_A     R    41_A      4    6   23      0    4    4    6    8    9    9   12   14   16   18   20   23   27   34   40   47   54   60   68 
LCS_GDT     N    42_A     N    42_A      4    6   23      1    4    4    6    8    9    9   12   14   16   18   20   21   23   25   26   28   33   42   48 
LCS_GDT     M    43_A     M    43_A      4    6   23      3    4    4    5    8    9    9   12   14   16   18   20   21   23   25   26   27   27   29   33 
LCS_GDT     G    44_A     G    44_A      4    8   23      3    4    4    6    8    9   10   12   14   16   18   20   21   23   25   26   27   27   29   29 
LCS_GDT     P    45_A     P    45_A      8   13   23      7    7   11   11   12   13   14   14   14   16   18   20   21   23   25   26   27   27   29   29 
LCS_GDT     E    46_A     E    46_A      8   13   23      7    7   11   11   12   13   14   14   14   16   18   20   21   23   25   26   27   27   29   29 
LCS_GDT     A    47_A     A    47_A      8   13   23      7    7   11   11   12   13   14   14   14   16   17   20   21   23   25   26   27   27   29   30 
LCS_GDT     R    48_A     R    48_A      8   13   23      7    7   11   11   12   13   14   14   14   16   18   20   21   23   25   26   27   27   29   29 
LCS_GDT     Q    49_A     Q    49_A      8   13   23      7    7   11   11   12   13   14   14   14   16   18   20   21   23   25   26   27   27   29   30 
LCS_GDT     M    50_A     M    50_A      8   13   23      7    7   11   11   12   13   14   14   14   16   18   20   21   23   25   26   27   27   29   32 
LCS_GDT     L    51_A     L    51_A      8   13   23      7    7   11   11   12   13   14   14   14   16   18   20   21   23   25   26   27   27   29   29 
LCS_GDT     R    52_A     R    52_A      8   13   23      4    6   11   11   12   13   14   14   14   16   18   20   21   23   25   26   27   27   29   31 
LCS_GDT     P    53_A     P    53_A      7   13   23      4    6   11   11   12   13   14   14   14   16   17   19   21   23   25   26   30   33   39   43 
LCS_GDT     M    54_A     M    54_A      7   13   23      4    6   11   11   12   13   14   14   14   16   18   20   21   23   25   26   31   35   39   43 
LCS_GDT     F    55_A     F    55_A      7   13   23      4    6   11   11   12   13   14   14   14   16   18   20   21   23   25   26   28   30   36   42 
LCS_GDT     R    56_A     R    56_A      7   13   23      4    5    7    9   12   13   14   14   14   16   17   20   21   23   25   26   31   33   39   43 
LCS_GDT     E    57_A     E    57_A      5   13   23      3    5    5    9   10   11   14   14   14   16   18   19   26   29   31   34   38   39   46   47 
LCS_GDT     M    58_A     M    58_A      5   11   23      3    5    5    9   10   13   14   14   14   16   18   22   26   31   33   36   38   44   46   48 
LCS_GDT     M    59_A     M    59_A      3    4   23      3    3    3    3    7   10   12   14   18   22   26   27   30   33   34   38   42   46   50   54 
LCS_GDT     S    60_A     S    60_A      3    6   22      3    3    3    4    7    8   12   16   18   22   26   27   30   33   34   38   42   46   50   54 
LCS_GDT     N    61_A     N    61_A      4    6   22      3    3    4    4    7   10   14   19   19   22   26   27   30   33   35   40   46   52   60   66 
LCS_GDT     P    62_A     P    62_A      4    6   22      3    3    4    4    7   11   14   19   19   24   28   33   40   47   52   56   66   70   76   81 
LCS_GDT     E    63_A     E    63_A      4    6   22      3    3    4    4    5    7    8   10   14   16   23   26   30   33   36   45   50   57   60   68 
LCS_GDT     S    64_A     S    64_A      4    6   22      3    3    4    4    5    9   14   19   19   24   28   36   44   50   57   62   70   74   81   91 
LCS_GDT     M    65_A     M    65_A      3   10   28      0    3    4    4    8   13   20   27   32   39   47   54   66   75   83   87   91  101  112  121 
LCS_GDT     R    66_A     R    66_A      3   10  133      0    3    3    8   11   16   23   27   33   42   50   63   71   78   85   88   98  110  118  127 
LCS_GDT     S    67_A     S    67_A      3   10  135      3    3    6   10   12   16   20   27   32   41   50   63   71   78   85   88   98  110  118  127 
LCS_GDT     M    68_A     M    68_A      7   10  136      3    7    9   11   16   21   27   34   43   49   62   72   80   85   95  109  119  126  129  129 
LCS_GDT     M    69_A     M    69_A      7   10  136      4    7    9   11   16   21   27   34   44   51   64   76   81   90  105  117  125  128  129  129 
LCS_GDT     N    70_A     N    70_A      7   10  136      4    7    9   11   17   22   29   40   48   62   73   80   90  108  120  124  127  128  129  129 
LCS_GDT     M    71_A     M    71_A      7   10  136      4    7    9   12   17   22   33   42   53   64   73   82   92  109  120  124  127  128  129  129 
LCS_GDT     G    72_A     G    72_A      7   10  136      4    7    8   12   17   23   36   43   56   68   76   83  101  115  122  125  127  128  129  129 
LCS_GDT     R    73_A     R    73_A      7   10  136      3    7    9   12   18   30   40   52   66   76   88  109  119  124  124  125  127  128  129  129 
LCS_GDT     A    74_A     A    74_A      7  124  136      3    7    9   12   19   31   42   55   68   78   98  114  120  124  124  125  127  128  129  129 
LCS_GDT     W    75_A     W    75_A      3  124  136      1    3    3   10   17   32   47   64   78  100  115  122  122  124  124  125  127  128  129  129 
LCS_GDT     G    76_A     G    76_A    122  124  136      3    6   59  111  121  121  121  121  121  122  122  122  122  124  126  126  129  130  132  135 
LCS_GDT     S    77_A     S    77_A    122  124  136     40  114  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  131  134  136 
LCS_GDT     K    78_A     K    78_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K    79_A     K    79_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I    80_A     I    80_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L    81_A     L    81_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I    82_A     I    82_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V    83_A     V    83_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     E    84_A     E    84_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     S    85_A     S    85_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D    86_A     D    86_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     T    87_A     T    87_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A    88_A     A    88_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L    89_A     L    89_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     S    90_A     S    90_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A    91_A     A    91_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     T    92_A     T    92_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L    93_A     L    93_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     R    94_A     R    94_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     S    95_A     S    95_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A    96_A     A    96_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L    97_A     L    97_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     E    98_A     E    98_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G    99_A     G    99_A    122  124  136     90  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     R   100_A     R   100_A    122  124  136     90  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   101_A     G   101_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     F   102_A     F   102_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     T   103_A     T   103_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   104_A     V   104_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   105_A     D   105_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     E   106_A     E   106_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     T   107_A     T   107_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     T   108_A     T   108_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   109_A     D   109_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   110_A     G   110_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   111_A     K   111_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   112_A     G   112_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     S   113_A     S   113_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   114_A     V   114_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     E   115_A     E   115_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     Q   116_A     Q   116_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I   117_A     I   117_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     R   118_A     R   118_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     R   119_A     R   119_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   120_A     D   120_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     R   121_A     R   121_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     P   122_A     P   122_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   123_A     D   123_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   124_A     L   124_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   125_A     V   125_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   126_A     V   126_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   127_A     L   127_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   128_A     A   128_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   129_A     V   129_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   130_A     D   130_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   131_A     L   131_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     S   132_A     S   132_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   133_A     A   133_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   134_A     G   134_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     Q   135_A     Q   135_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     N   136_A     N   136_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   137_A     G   137_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     Y   138_A     Y   138_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   139_A     L   139_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I   140_A     I   140_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     C   141_A     C   141_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   142_A     G   142_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   143_A     K   143_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   144_A     L   144_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   145_A     K   145_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   146_A     K   146_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  131  134  136 
LCS_GDT     D   147_A     D   147_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  131  134  136 
LCS_GDT     D   148_A     D   148_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  131  133  136 
LCS_GDT     D   149_A     D   149_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  131  134  136 
LCS_GDT     L   150_A     L   150_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   151_A     K   151_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     N   152_A     N   152_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   153_A     V   153_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     P   154_A     P   154_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I   155_A     I   155_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   156_A     V   156_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I   157_A     I   157_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I   158_A     I   158_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   159_A     G   159_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     N   160_A     N   160_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     P   161_A     P   161_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   162_A     D   162_A    122  124  136     76  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   163_A     G   163_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     F   164_A     F   164_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   165_A     A   165_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     Q   166_A     Q   166_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     H   167_A     H   167_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     R   168_A     R   168_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   169_A     K   169_A    122  124  136     87  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   170_A     L   170_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   171_A     K   171_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   172_A     A   172_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     H   173_A     H   173_A    122  124  136     85  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   174_A     A   174_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   175_A     D   175_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     E   176_A     E   176_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     Y   177_A     Y   177_A    122  124  136     81  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   178_A     V   178_A    122  124  136     96  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   179_A     A   179_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     K   180_A     K   180_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     P   181_A     P   181_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   182_A     V   182_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   183_A     D   183_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   184_A     A   184_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     D   185_A     D   185_A    122  124  136     79  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     Q   186_A     Q   186_A    122  124  136     16  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   187_A     L   187_A    122  124  136     71  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     V   188_A     V   188_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     E   189_A     E   189_A    122  124  136     31  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     R   190_A     R   190_A    122  124  136     31  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   191_A     A   191_A    122  124  136     84  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   192_A     G   192_A    122  124  136     71  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     A   193_A     A   193_A    122  124  136     71  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     L   194_A     L   194_A    122  124  136     84  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     I   195_A     I   195_A    122  124  136     99  117  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     G   196_A     G   196_A    122  124  136     21  101  120  120  121  121  121  121  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     F   197_A     F   197_A    122  124  136      3    7   11   12   16   49   78  104  121  122  122  122  122  124  126  129  129  132  134  136 
LCS_GDT     P   198_A     P   198_A     11  124  136      5   10   11   12   12   15   18   36   51   69   82  105  119  124  126  129  129  132  134  136 
LCS_GDT     E   199_A     E   199_A     11  124  136      5   10   11   12   14   18   31   42   57   75   92  110  120  124  126  129  129  132  134  136 
LCS_GDT     G   200_A     G   200_A     11   14  136      5   10   11   12   14   23   34   50   69   90  109  120  122  124  126  129  129  132  134  136 
LCS_GDT     N   201_A     N   201_A     11   14  136      7   10   11   12   12   18   27   39   53   69   83  101  117  124  126  129  129  132  134  136 
LCS_GDT     S   202_A     S   202_A     11   14  136      7   10   11   12   14   18   27   37   47   62   73   87  105  117  125  129  129  132  134  136 
LCS_GDT     M   203_A     M   203_A     11   14  136      7   10   11   12   14   18   26   36   47   62   74   89  106  117  125  129  129  132  134  136 
LCS_GDT     M   204_A     M   204_A     11   14  136      7   10   11   12   14   18   27   36   47   62   70   87  105  116  125  129  129  132  134  136 
LCS_GDT     I   205_A     I   205_A     11   14  136      7   10   11   12   14   18   23   35   45   51   61   75   87   98  112  124  128  132  134  136 
LCS_GDT     A   206_A     A   206_A     11   14  136      7   10   11   12   14   18   21   28   37   50   61   68   78   92  108  119  127  132  134  136 
LCS_GDT     L   207_A     L   207_A     11   14  136      7   10   11   12   14   18   21   26   33   50   61   68   78   96  110  121  127  132  134  136 
LCS_GDT     G   208_A     G   208_A      9   14  136      3    8    9   11   14   19   31   40   48   66   81   96  110  118  125  129  129  132  134  136 
LCS_GDT     V   209_A     V   209_A      9   14  136      4    9   11   12   14   18   21   29   42   50   61   68   78   90  108  117  125  132  134  136 
LCS_GDT     A   210_A     A   210_A      9   14  136      4    8    9   11   14   16   18   21   33   43   58   65   70   78   91  105  118  125  131  136 
LCS_GDT     C   211_A     C   211_A      9   14  136      5    8    9   11   14   16   18   29   40   49   62   76   97  105  120  125  129  132  134  136 
LCS_GDT     A   212_A     A   212_A      9   14   41      5    8    9   11   14   16   25   36   46   57   69   87  103  113  122  126  129  132  134  136 
LCS_GDT     I   213_A     I   213_A      9   14   41      5    8    9   11   14   16   18   22   33   45   61   66   73   81   95  108  118  126  131  136 
LCS_GDT     A   214_A     A   214_A      9   14   41      5    8    9   11   14   16   18   19   20   21   21   22   35   68   83   96  110  120  130  136 
LCS_GDT     L   215_A     L   215_A      9   14   41      4    7    9   11   14   16   18   19   20   47   61   74   87  105  117  123  128  132  134  136 
LCS_GDT     A   216_A     A   216_A      9   14   41      5    8    9   11   14   16   18   23   39   48   61   72   79   99  108  119  127  132  134  136 
LCS_GDT     I   217_A     I   217_A      3    4   41      3    3    3    4    6   12   17   22   33   43   54   63   70   74   82   94  103  120  125  132 
LCS_GDT     A   218_A     A   218_A      3    4   37      3    3    3    4    4    4    6   14   23   27   34   38   43   54   63   73   79   85   93  100 
LCS_GDT     A   219_A     A   219_A      3    4   36      3    3    3    4    4    5    7    7    9   10   27   32   38   46   59   68   77   84   89   97 
LCS_GDT     V   220_A     V   220_A      3    4   33      3    3    3    4    4    5    7    7    9   10   12   13   16   21   23   27   42   47   55   70 
LCS_GDT     Y   221_A     Y   221_A      3    4   14      3    3    3    4    4    4    7    7    9   10   12   14   17   21   23   27   30   36   51   53 
LCS_GDT     F   222_A     F   222_A      3    4   14      3    3    3    3    4    5    7    7    8   10   12   14   22   23   28   28   30   47   51   53 
LCS_AVERAGE  LCS_A:  36.68  (  31.66   33.85   44.52 )

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     99    117    120    120    121    121    121    121    121    122    122    122    122    124    126    129    129    132    134    136 
GDT PERCENT_AT  44.59  52.70  54.05  54.05  54.50  54.50  54.50  54.50  54.50  54.95  54.95  54.95  54.95  55.86  56.76  58.11  58.11  59.46  60.36  61.26
GDT RMS_LOCAL    0.28   0.38   0.46   0.46   0.60   0.60   0.60   0.60   0.60   0.99   0.99   0.99   0.99   2.10   2.48   3.58   3.58   5.06   4.77   4.97
GDT RMS_ALL_AT  24.18  24.12  24.05  24.05  23.98  23.98  23.98  23.98  23.98  23.89  23.89  23.89  23.89  23.40  23.40  23.04  23.04  23.06  22.99  23.09

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_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   149_A      D   149_A
#   possible swapping detected:  D   162_A      D   162_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:  E   199_A      E   199_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    39.614     0    0.151   0.151    39.614    0.000    0.000
LGA    P     2_A      P     2_A    38.962     0    0.650   0.585    41.068    0.000    0.000
LGA    H     3_A      H     3_A    36.040     0    0.145   0.327    36.595    0.000    0.000
LGA    M     4_A      M     4_A    37.742     0    0.250   1.094    41.522    0.000    0.000
LGA    E     5_A      E     5_A    37.995     0    0.044   1.343    38.311    0.000    0.000
LGA    Q     6_A      Q     6_A    33.633     0    0.022   0.706    35.071    0.000    0.000
LGA    L     7_A      L     7_A    33.563     0    0.042   1.101    34.777    0.000    0.000
LGA    E     8_A      E     8_A    37.656     0    0.055   0.798    43.147    0.000    0.000
LGA    G     9_A      G     9_A    35.626     0    0.100   0.100    36.130    0.000    0.000
LGA    I    10_A      I    10_A    32.197     0    0.565   0.701    34.140    0.000    0.000
LGA    M    11_A      M    11_A    31.530     0    0.071   1.287    33.823    0.000    0.000
LGA    L    12_A      L    12_A    33.645     0    0.200   1.094    36.338    0.000    0.000
LGA    S    13_A      S    13_A    35.607     0    0.093   0.128    38.176    0.000    0.000
LGA    P    14_A      P    14_A    41.501     0    0.101   0.289    42.954    0.000    0.000
LGA    A    15_A      A    15_A    40.308     0    0.548   0.520    40.308    0.000    0.000
LGA    F    16_A      F    16_A    39.763     0    0.053   1.422    42.085    0.000    0.000
LGA    Q    17_A      Q    17_A    46.565     0    0.039   1.070    53.904    0.000    0.000
LGA    E    18_A      E    18_A    45.282     0    0.051   0.997    45.683    0.000    0.000
LGA    Q    19_A      Q    19_A    40.045     0    0.039   1.012    41.613    0.000    0.000
LGA    M    20_A      M    20_A    44.541     0    0.045   1.169    47.301    0.000    0.000
LGA    N    21_A      N    21_A    49.522     0    0.042   0.123    53.504    0.000    0.000
LGA    A    22_A      A    22_A    45.085     0    0.031   0.042    46.213    0.000    0.000
LGA    L    23_A      L    23_A    43.527     0    0.069   1.175    46.057    0.000    0.000
LGA    M    24_A      M    24_A    50.385     0    0.236   1.201    54.397    0.000    0.000
LGA    L    25_A      L    25_A    52.288     0    0.047   1.398    54.932    0.000    0.000
LGA    D    26_A      D    26_A    48.344     0    0.054   0.980    49.054    0.000    0.000
LGA    P    27_A      P    27_A    48.339     0    0.055   0.124    52.333    0.000    0.000
LGA    R    28_A      R    28_A    42.791     0    0.077   1.732    44.972    0.000    0.000
LGA    M    29_A      M    29_A    37.875     0    0.050   0.910    40.031    0.000    0.000
LGA    L    30_A      L    30_A    40.769     0    0.648   1.321    43.249    0.000    0.000
LGA    D    31_A      D    31_A    41.416     0    0.619   0.768    43.123    0.000    0.000
LGA    M    32_A      M    32_A    40.855     0    0.056   0.872    42.382    0.000    0.000
LGA    M    33_A      M    33_A    40.609     0    0.607   1.629    44.873    0.000    0.000
LGA    I    34_A      I    34_A    43.691     0    0.600   0.957    47.097    0.000    0.000
LGA    D    35_A      D    35_A    40.740     0    0.632   0.947    42.428    0.000    0.000
LGA    Q    36_A      Q    36_A    37.994     0    0.123   1.347    38.606    0.000    0.000
LGA    N    37_A      N    37_A    36.287     0    0.137   0.273    38.853    0.000    0.000
LGA    P    38_A      P    38_A    38.600     0    0.176   0.382    40.681    0.000    0.000
LGA    Q    39_A      Q    39_A    37.508     0    0.264   1.333    39.591    0.000    0.000
LGA    L    40_A      L    40_A    38.775     0    0.218   0.258    41.406    0.000    0.000
LGA    R    41_A      R    41_A    35.681     0    0.684   0.873    37.157    0.000    0.000
LGA    N    42_A      N    42_A    36.258     0    0.731   1.288    39.328    0.000    0.000
LGA    M    43_A      M    43_A    36.234     0    0.347   1.083    38.120    0.000    0.000
LGA    G    44_A      G    44_A    38.354     0    0.064   0.064    38.354    0.000    0.000
LGA    P    45_A      P    45_A    37.415     0    0.628   0.561    39.166    0.000    0.000
LGA    E    46_A      E    46_A    40.498     0    0.049   1.244    41.229    0.000    0.000
LGA    A    47_A      A    47_A    36.998     0    0.053   0.054    37.883    0.000    0.000
LGA    R    48_A      R    48_A    36.813     0    0.038   1.188    38.733    0.000    0.000
LGA    Q    49_A      Q    49_A    41.398     0    0.090   1.421    47.611    0.000    0.000
LGA    M    50_A      M    50_A    40.711     0    0.253   1.095    42.592    0.000    0.000
LGA    L    51_A      L    51_A    37.836     0    0.042   1.138    38.907    0.000    0.000
LGA    R    52_A      R    52_A    40.444     0    0.026   0.609    42.490    0.000    0.000
LGA    P    53_A      P    53_A    44.971     0    0.046   0.240    46.218    0.000    0.000
LGA    M    54_A      M    54_A    42.866     0    0.133   1.277    45.575    0.000    0.000
LGA    F    55_A      F    55_A    39.769     0    0.029   1.373    41.313    0.000    0.000
LGA    R    56_A      R    56_A    43.719     0    0.037   0.705    45.843    0.000    0.000
LGA    E    57_A      E    57_A    46.679     0    0.068   1.239    51.295    0.000    0.000
LGA    M    58_A      M    58_A    43.924     0    0.380   1.146    44.567    0.000    0.000
LGA    M    59_A      M    59_A    42.067     0    0.703   1.106    42.647    0.000    0.000
LGA    S    60_A      S    60_A    43.939     0    0.636   0.895    48.304    0.000    0.000
LGA    N    61_A      N    61_A    39.935     0    0.593   1.045    41.562    0.000    0.000
LGA    P    62_A      P    62_A    38.613     0    0.362   0.643    39.105    0.000    0.000
LGA    E    63_A      E    63_A    40.999     0    0.501   1.243    46.391    0.000    0.000
LGA    S    64_A      S    64_A    36.989     0    0.537   0.751    38.600    0.000    0.000
LGA    M    65_A      M    65_A    30.578     0    0.603   0.687    32.677    0.000    0.000
LGA    R    66_A      R    66_A    28.356     0    0.614   0.931    31.767    0.000    0.000
LGA    S    67_A      S    67_A    27.591     0    0.537   0.609    29.734    0.000    0.000
LGA    M    68_A      M    68_A    23.394     0    0.258   0.989    28.988    0.000    0.000
LGA    M    69_A      M    69_A    20.615     0    0.064   0.739    21.767    0.000    0.000
LGA    N    70_A      N    70_A    18.608     0    0.048   1.200    19.609    0.000    0.000
LGA    M    71_A      M    71_A    19.722     0    0.082   0.267    22.690    0.000    0.000
LGA    G    72_A      G    72_A    17.846     0    0.071   0.071    18.773    0.000    0.000
LGA    R    73_A      R    73_A    14.762     0    0.535   0.814    18.633    0.000    0.000
LGA    A    74_A      A    74_A    14.221     0    0.662   0.613    15.300    0.000    0.000
LGA    W    75_A      W    75_A    11.609     0    0.679   1.222    22.850    1.429    0.408
LGA    G    76_A      G    76_A     4.157     0    0.655   0.655     6.972   41.190   41.190
LGA    S    77_A      S    77_A     1.487     0    0.051   0.542     2.460   73.095   71.667
LGA    K    78_A      K    78_A     0.155     0    0.040   0.831     4.143  100.000   83.968
LGA    K    79_A      K    79_A     0.293     0    0.050   0.939     6.688  100.000   72.487
LGA    I    80_A      I    80_A     0.384     0    0.028   0.609     1.987  100.000   94.226
LGA    L    81_A      L    81_A     0.249     0    0.022   0.071     0.468  100.000  100.000
LGA    I    82_A      I    82_A     0.241     0    0.038   0.529     1.649  100.000   95.417
LGA    V    83_A      V    83_A     0.129     0    0.029   0.073     0.307  100.000  100.000
LGA    E    84_A      E    84_A     0.159     0    0.038   0.542     1.631  100.000   93.810
LGA    S    85_A      S    85_A     0.154     0    0.045   0.617     1.851  100.000   95.476
LGA    D    86_A      D    86_A     0.386     0    0.032   0.145     0.611  100.000   98.810
LGA    T    87_A      T    87_A     0.357     0    0.037   0.910     2.282  100.000   89.932
LGA    A    88_A      A    88_A     0.277     0    0.039   0.044     0.494  100.000  100.000
LGA    L    89_A      L    89_A     0.268     0    0.029   0.095     0.643  100.000   98.810
LGA    S    90_A      S    90_A     0.236     0    0.025   0.596     2.122  100.000   94.127
LGA    A    91_A      A    91_A     0.232     0    0.033   0.038     0.426  100.000  100.000
LGA    T    92_A      T    92_A     0.297     0    0.040   0.137     0.699  100.000   95.918
LGA    L    93_A      L    93_A     0.290     0    0.035   0.046     0.634  100.000   97.619
LGA    R    94_A      R    94_A     0.169     0    0.024   0.930     4.444  100.000   84.589
LGA    S    95_A      S    95_A     0.061     0    0.058   0.640     2.284  100.000   94.127
LGA    A    96_A      A    96_A     0.105     0    0.034   0.058     0.140  100.000  100.000
LGA    L    97_A      L    97_A     0.157     0    0.025   0.124     0.621  100.000   98.810
LGA    E    98_A      E    98_A     0.264     0    0.035   0.189     1.136  100.000   93.757
LGA    G    99_A      G    99_A     0.699     0    0.084   0.084     1.138   88.214   88.214
LGA    R   100_A      R   100_A     0.671     0    0.082   1.303     5.737   90.476   70.260
LGA    G   101_A      G   101_A     0.367     0    0.055   0.055     0.415  100.000  100.000
LGA    F   102_A      F   102_A     0.429     0    0.035   0.158     1.561  100.000   88.268
LGA    T   103_A      T   103_A     0.107     0    0.042   0.056     0.269  100.000  100.000
LGA    V   104_A      V   104_A     0.244     0    0.070   0.880     2.238  100.000   89.728
LGA    D   105_A      D   105_A     0.386     0    0.036   1.143     3.801  100.000   82.917
LGA    E   106_A      E   106_A     0.191     0    0.053   0.550     1.756  100.000   93.862
LGA    T   107_A      T   107_A     0.090     0    0.018   0.062     0.379  100.000  100.000
LGA    T   108_A      T   108_A     0.162     0    0.037   1.212     2.659  100.000   88.844
LGA    D   109_A      D   109_A     0.372     0    0.019   0.108     0.484  100.000  100.000
LGA    G   110_A      G   110_A     0.247     0    0.028   0.028     0.277  100.000  100.000
LGA    K   111_A      K   111_A     0.192     0    0.029   1.279     3.608  100.000   79.471
LGA    G   112_A      G   112_A     0.197     0    0.086   0.086     0.537   97.619   97.619
LGA    S   113_A      S   113_A     0.323     0    0.059   0.629     1.857  100.000   93.889
LGA    V   114_A      V   114_A     0.181     0    0.023   0.972     2.348  100.000   89.932
LGA    E   115_A      E   115_A     0.316     0    0.036   0.189     0.807  100.000   96.825
LGA    Q   116_A      Q   116_A     0.302     0    0.032   0.224     0.565  100.000   98.942
LGA    I   117_A      I   117_A     0.132     0    0.030   1.260     2.528  100.000   85.833
LGA    R   118_A      R   118_A     0.230     0    0.035   0.929     2.924  100.000   93.506
LGA    R   119_A      R   119_A     0.199     0    0.021   0.273     1.510  100.000   93.290
LGA    D   120_A      D   120_A     0.462     0    0.057   1.053     4.255  100.000   81.429
LGA    R   121_A      R   121_A     0.371     0    0.033   0.787     2.408   97.619   86.840
LGA    P   122_A      P   122_A     0.360     0    0.063   0.154     0.481  100.000  100.000
LGA    D   123_A      D   123_A     0.460     0    0.071   0.255     0.968   95.238   96.429
LGA    L   124_A      L   124_A     0.384     0    0.026   0.211     0.715  100.000   97.619
LGA    V   125_A      V   125_A     0.310     0    0.030   0.089     0.460  100.000  100.000
LGA    V   126_A      V   126_A     0.303     0    0.070   1.063     2.561  100.000   88.844
LGA    L   127_A      L   127_A     0.174     0    0.072   0.155     0.801  100.000   97.619
LGA    A   128_A      A   128_A     0.221     0    0.039   0.045     0.290  100.000  100.000
LGA    V   129_A      V   129_A     0.185     0    0.021   0.111     0.356  100.000  100.000
LGA    D   130_A      D   130_A     0.515     0    0.037   0.105     1.227   95.238   90.595
LGA    L   131_A      L   131_A     0.300     0    0.044   0.236     0.839  100.000   96.429
LGA    S   132_A      S   132_A     0.356     0    0.335   0.921     3.122   82.857   85.476
LGA    A   133_A      A   133_A     0.585     0    0.182   0.178     1.183   97.619   94.381
LGA    G   134_A      G   134_A     0.260     0    0.044   0.044     0.364  100.000  100.000
LGA    Q   135_A      Q   135_A     0.309     0    0.061   0.666     1.966  100.000   91.852
LGA    N   136_A      N   136_A     0.306     0    0.010   0.145     0.787  100.000   97.619
LGA    G   137_A      G   137_A     0.333     0    0.024   0.024     0.373  100.000  100.000
LGA    Y   138_A      Y   138_A     0.278     0    0.029   0.146     0.819  100.000   97.619
LGA    L   139_A      L   139_A     0.393     0    0.033   1.016     3.918  100.000   81.071
LGA    I   140_A      I   140_A     0.263     0    0.029   0.094     0.458  100.000  100.000
LGA    C   141_A      C   141_A     0.259     0    0.034   0.056     0.451  100.000  100.000
LGA    G   142_A      G   142_A     0.175     0    0.052   0.052     0.360  100.000  100.000
LGA    K   143_A      K   143_A     0.204     0    0.024   0.591     2.006  100.000   87.037
LGA    L   144_A      L   144_A     0.074     0    0.036   0.199     0.647  100.000   98.810
LGA    K   145_A      K   145_A     0.152     0    0.060   0.122     0.515   97.619   98.942
LGA    K   146_A      K   146_A     0.214     0    0.103   0.984     3.606   97.619   87.884
LGA    D   147_A      D   147_A     0.189     0    0.015   0.197     0.979  100.000   98.810
LGA    D   148_A      D   148_A     0.189     0    0.048   0.279     1.236  100.000   94.167
LGA    D   149_A      D   149_A     0.320     0    0.012   0.389     1.562  100.000   94.226
LGA    L   150_A      L   150_A     0.347     0    0.095   1.114     2.841  100.000   90.060
LGA    K   151_A      K   151_A     0.252     0    0.080   0.878     2.337   97.619   86.931
LGA    N   152_A      N   152_A     0.652     0    0.153   0.145     1.783   97.619   88.452
LGA    V   153_A      V   153_A     0.359     0    0.039   1.011     2.787  100.000   88.639
LGA    P   154_A      P   154_A     0.202     0    0.047   0.254     0.705  100.000   98.639
LGA    I   155_A      I   155_A     0.135     0    0.022   0.179     0.464  100.000  100.000
LGA    V   156_A      V   156_A     0.226     0    0.037   0.070     0.415  100.000  100.000
LGA    I   157_A      I   157_A     0.068     0    0.022   0.213     0.942  100.000   98.810
LGA    I   158_A      I   158_A     0.183     0    0.014   1.116     2.710  100.000   85.833
LGA    G   159_A      G   159_A     0.140     0    0.030   0.030     0.159  100.000  100.000
LGA    N   160_A      N   160_A     0.232     0    0.083   0.843     3.531  100.000   85.119
LGA    P   161_A      P   161_A     0.532     0    0.070   0.120     0.894   92.857   91.837
LGA    D   162_A      D   162_A     1.088     0    0.027   1.399     5.425   83.690   68.690
LGA    G   163_A      G   163_A     0.596     0    0.138   0.138     0.703   90.476   90.476
LGA    F   164_A      F   164_A     0.532     0    0.031   0.389     1.204   90.476   90.563
LGA    A   165_A      A   165_A     0.591     0    0.024   0.042     0.592   90.476   90.476
LGA    Q   166_A      Q   166_A     0.555     0    0.034   0.781     3.023   90.476   74.868
LGA    H   167_A      H   167_A     0.496     0    0.011   1.112     5.739   97.619   70.048
LGA    R   168_A      R   168_A     0.504     0    0.032   1.066     3.555   95.238   85.455
LGA    K   169_A      K   169_A     0.586     0    0.148   0.821     2.987   97.619   79.683
LGA    L   170_A      L   170_A     0.371     0    0.038   0.799     2.327   97.619   89.821
LGA    K   171_A      K   171_A     0.489     0    0.067   0.852     3.955   95.238   77.619
LGA    A   172_A      A   172_A     0.269     0    0.100   0.098     0.348  100.000  100.000
LGA    H   173_A      H   173_A     0.535     0    0.044   0.378     1.056   97.619   92.429
LGA    A   174_A      A   174_A     0.373     0    0.018   0.037     0.467  100.000  100.000
LGA    D   175_A      D   175_A     0.300     0    0.054   0.509     1.410  100.000   95.357
LGA    E   176_A      E   176_A     0.491     0    0.019   0.502     1.992   97.619   89.683
LGA    Y   177_A      Y   177_A     0.802     0    0.051   0.348     1.910   88.214   82.341
LGA    V   178_A      V   178_A     0.614     0    0.041   0.075     1.030   95.238   91.905
LGA    A   179_A      A   179_A     0.205     0    0.021   0.032     0.372  100.000  100.000
LGA    K   180_A      K   180_A     0.166     0    0.061   0.329     0.557  100.000   97.884
LGA    P   181_A      P   181_A     0.214     0    0.060   0.074     0.305  100.000  100.000
LGA    V   182_A      V   182_A     0.228     0    0.037   1.182     2.597  100.000   88.844
LGA    D   183_A      D   183_A     0.165     0    0.113   0.581     2.762   97.619   86.667
LGA    A   184_A      A   184_A     0.229     0    0.061   0.071     0.350  100.000  100.000
LGA    D   185_A      D   185_A     0.813     0    0.031   0.528     2.050   90.476   83.869
LGA    Q   186_A      Q   186_A     1.036     0    0.032   1.074     5.500   85.952   68.307
LGA    L   187_A      L   187_A     0.770     0    0.034   1.110     2.630   90.476   84.107
LGA    V   188_A      V   188_A     0.492     0    0.035   0.165     0.693   95.238   95.918
LGA    E   189_A      E   189_A     0.904     0    0.071   0.259     1.867   90.476   82.593
LGA    R   190_A      R   190_A     0.814     0    0.037   1.741     7.395   90.476   62.554
LGA    A   191_A      A   191_A     0.654     0    0.029   0.039     0.656   90.476   90.476
LGA    G   192_A      G   192_A     0.681     0    0.124   0.124     1.382   88.214   88.214
LGA    A   193_A      A   193_A     0.657     0    0.094   0.113     0.904   90.476   90.476
LGA    L   194_A      L   194_A     0.699     0    0.032   0.225     1.121   90.476   88.214
LGA    I   195_A      I   195_A     0.559     0    0.668   1.382     3.378   80.476   79.048
LGA    G   196_A      G   196_A     1.920     0    0.578   0.578     6.370   50.714   50.714
LGA    F   197_A      F   197_A     8.881     0    0.637   1.113    11.088    5.000    8.874
LGA    P   198_A      P   198_A    13.029     0    0.137   0.475    14.534    0.000    0.000
LGA    E   199_A      E   199_A    14.183     0    0.047   1.183    15.252    0.000    0.000
LGA    G   200_A      G   200_A    13.568     0    0.044   0.044    14.693    0.000    0.000
LGA    N   201_A      N   201_A    14.454     0    0.045   1.131    16.231    0.000    0.000
LGA    S   202_A      S   202_A    16.495     0    0.032   0.723    18.295    0.000    0.000
LGA    M   203_A      M   203_A    18.179     0    0.061   1.062    19.398    0.000    0.000
LGA    M   204_A      M   204_A    18.005     0    0.020   1.307    19.557    0.000    0.000
LGA    I   205_A      I   205_A    19.184     0    0.035   1.350    21.766    0.000    0.000
LGA    A   206_A      A   206_A    22.280     0    0.095   0.091    24.676    0.000    0.000
LGA    L   207_A      L   207_A    22.961     0    0.351   1.119    27.028    0.000    0.000
LGA    G   208_A      G   208_A    20.200     0    0.136   0.136    21.701    0.000    0.000
LGA    V   209_A      V   209_A    24.562     0    0.031   0.116    27.614    0.000    0.000
LGA    A   210_A      A   210_A    25.294     0    0.053   0.054    25.294    0.000    0.000
LGA    C   211_A      C   211_A    21.566     0    0.078   0.787    22.571    0.000    0.000
LGA    A   212_A      A   212_A    22.720     0    0.038   0.063    24.648    0.000    0.000
LGA    I   213_A      I   213_A    26.931     0    0.047   0.550    29.567    0.000    0.000
LGA    A   214_A      A   214_A    26.162     0    0.047   0.060    26.214    0.000    0.000
LGA    L   215_A      L   215_A    23.761     0    0.062   0.800    24.799    0.000    0.000
LGA    A   216_A      A   216_A    26.411     0    0.321   0.328    29.432    0.000    0.000
LGA    I   217_A      I   217_A    31.853     0    0.612   0.751    35.129    0.000    0.000
LGA    A   218_A      A   218_A    34.698     0    0.584   0.585    35.823    0.000    0.000
LGA    A   219_A      A   219_A    32.532     0    0.653   0.630    35.167    0.000    0.000
LGA    V   220_A      V   220_A    37.570     0    0.666   0.776    41.081    0.000    0.000
LGA    Y   221_A      Y   221_A    44.160     0    0.697   1.268    46.065    0.000    0.000
LGA    F   222_A      F   222_A    47.104     0    0.224   1.383    50.883    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):    16.208         16.198                 16.580           52.649   49.553

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    121    0.60    54.842    49.465    17.390

LGA_LOCAL      RMSD:   0.596  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.984  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  16.208  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.031890 * X  +  -0.966841 * Y  +  -0.253379 * Z  +  52.592808
  Y_new =   0.213855 * X  +  -0.254237 * Y  +   0.943202 * Z  +  16.036280
  Z_new =  -0.976345 * X  +  -0.024108 * Y  +   0.214872 * Z  +  25.104359 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.718823  1.352855 -0.111731   [DEG:   98.4813   77.5129   -6.4017 ]
ZXZ: -2.879152  1.354236 -1.595484   [DEG: -164.9632   77.5920  -91.4145 ]
 
# END of job
