
#######################################################
#                                                     #
#                        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:   137      72_A - 208_A       4.77    22.63
  LONGEST_CONTINUOUS_SEGMENT:   137      73_A - 209_A       4.76    23.01
  LCS_AVERAGE:     44.53

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      75_A - 200_A       1.91    23.10
  LONGEST_CONTINUOUS_SEGMENT:   126      76_A - 201_A       1.81    23.22
  LCS_AVERAGE:     34.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      76_A - 198_A       0.94    23.45
  LCS_AVERAGE:     31.87

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    5   20      3    3    3    4    5    5    5    8    8    9   11   12   13   15   16   21   29   31   37   41 
LCS_GDT     P     2_A     P     2_A      5   12   20      4    5    6    8   10   11   15   16   20   21   22   27   30   31   32   33   35   39   40   50 
LCS_GDT     H     3_A     H     3_A      5   12   20      4    5    6    8   10   11   13   14   20   21   22   27   30   31   32   38   41   47   53   57 
LCS_GDT     M     4_A     M     4_A     10   12   21      4    8   10   10   12   15   18   19   21   23   26   27   30   32   34   38   42   47   53   57 
LCS_GDT     E     5_A     E     5_A     10   12   21      4    8   10   10   12   15   18   19   21   23   26   27   30   32   33   37   41   45   53   57 
LCS_GDT     Q     6_A     Q     6_A     10   12   21      5    8   10   11   12   15   18   19   21   23   26   27   30   32   34   39   44   51   61   78 
LCS_GDT     L     7_A     L     7_A     10   12   21      6    8   10   11   12   15   18   19   21   23   26   27   30   32   34   38   42   47   53   78 
LCS_GDT     E     8_A     E     8_A     10   12   21      6    8   10   11   12   15   18   19   21   23   26   27   30   32   33   37   39   44   53   57 
LCS_GDT     G     9_A     G     9_A     10   12   21      6    8   10   11   12   15   18   19   21   23   26   27   30   32   33   37   39   44   53   57 
LCS_GDT     I    10_A     I    10_A     10   12   21      6    8   10   11   12   15   18   19   21   23   26   27   30   32   34   38   42   48   61   78 
LCS_GDT     M    11_A     M    11_A     10   12   21      6    8   10   11   12   15   18   19   20   21   26   27   30   32   33   37   39   45   53   57 
LCS_GDT     L    12_A     L    12_A     10   12   21      6    8   10   11   12   15   18   19   20   23   26   27   30   32   33   33   39   44   50   52 
LCS_GDT     S    13_A     S    13_A     10   12   21      5    8   10   11   12   15   18   19   21   23   26   27   30   32   33   37   43   47   54   59 
LCS_GDT     P    14_A     P    14_A      3   12   21      3    3    5    7   12   15   18   19   20   23   26   27   30   32   35   40   45   57   61   65 
LCS_GDT     A    15_A     A    15_A      3   12   21      3    3    5    9   12   15   18   19   21   23   26   32   39   49   61   66   69   75   80   90 
LCS_GDT     F    16_A     F    16_A      3   11   24      0    4    5    7   12   15   17   18   21   24   29   34   39   49   60   66   72   79   86   92 
LCS_GDT     Q    17_A     Q    17_A      4    5   24      3    4    4    5    5    8   12   14   21   25   31   36   41   48   54   63   72   77   84   92 
LCS_GDT     E    18_A     E    18_A      4    5   37      3    4    4    5    6    9   13   16   22   27   32   37   44   53   62   66   72   79   86   95 
LCS_GDT     Q    19_A     Q    19_A      4    5   41      3    4    4    5    8   13   16   20   26   33   39   50   61   68   74   80   86   94  102  111 
LCS_GDT     M    20_A     M    20_A      4    5   41      3    4    5    6    8   10   15   20   24   28   37   44   51   63   70   76   81   86   94  100 
LCS_GDT     N    21_A     N    21_A      7    7   41      5    6    7    7   11   14   16   19   24   28   33   35   37   45   49   59   66   72   79   88 
LCS_GDT     A    22_A     A    22_A      7    7   41      5    6    7    8   10   13   17   20   25   29   33   35   37   45   49   55   64   70   78   88 
LCS_GDT     L    23_A     L    23_A      7    7   41      5    6    7    7    8   11   17   20   25   29   33   35   35   38   41   50   59   69   78   88 
LCS_GDT     M    24_A     M    24_A      7    7   41      5    6    7    7   11   14   17   20   25   29   33   35   35   38   39   46   56   66   78   88 
LCS_GDT     L    25_A     L    25_A      7    9   41      5    6    7    7    8    9   14   17   22   29   33   35   35   38   41   50   56   65   74   84 
LCS_GDT     D    26_A     D    26_A      8    9   41      4    5    8    9    9    9   13   15   18   22   27   31   33   36   37   38   42   48   59   66 
LCS_GDT     P    27_A     P    27_A      8    9   41      6    7    8    9   10   13   16   20   25   29   33   35   35   38   39   40   41   43   48   58 
LCS_GDT     R    28_A     R    28_A      8    9   41      6    7    8    9   10   13   17   20   25   29   33   35   35   38   39   40   41   42   44   47 
LCS_GDT     M    29_A     M    29_A      8    9   41      6    7    8    9   11   14   17   20   25   29   33   35   41   49   61   67   78   86   94  103 
LCS_GDT     L    30_A     L    30_A      8    9   41      6    7    8    9   11   14   17   20   25   29   33   35   35   45   50   59   69   76   82   90 
LCS_GDT     D    31_A     D    31_A      8    9   41      6    7    8    9   11   14   17   20   25   29   33   35   35   38   39   44   56   63   75   83 
LCS_GDT     M    32_A     M    32_A      8    9   41      5    7    8    9   11   14   17   20   25   29   33   35   35   57   68   76   86   92  103  120 
LCS_GDT     M    33_A     M    33_A      8    9   41      6    7    8    9   10   14   16   24   32   41   53   63   71   83   89   99  111  117  125  127 
LCS_GDT     I    34_A     I    34_A      4    5   41      3    3    5    5    9   13   18   26   31   41   48   57   67   73   80   87   99  106  112  120 
LCS_GDT     D    35_A     D    35_A      4    5   41      3    3    5    7    9   13   16   21   24   36   46   56   67   72   80   87   95  105  112  120 
LCS_GDT     Q    36_A     Q    36_A      4    5   41      3    4    5    8   11   14   17   24   32   40   53   63   71   83   89  100  111  117  125  127 
LCS_GDT     N    37_A     N    37_A      4    5   41      3    4    4    7   11   14   17   21   25   29   37   45   58   71   78   87   93  102  112  120 
LCS_GDT     P    38_A     P    38_A      4    5   41      3    4    4    7   11   14   17   20   25   29   33   35   42   49   62   67   78   86   98  114 
LCS_GDT     Q    39_A     Q    39_A      4    5   41      3    4    4    6   11   14   17   20   25   29   33   35   35   45   49   59   68   75   82   90 
LCS_GDT     L    40_A     L    40_A      4    6   41      4    4    4    4    9   10   17   20   25   29   33   35   35   38   39   40   51   60   68   77 
LCS_GDT     R    41_A     R    41_A      4    6   41      4    4    4    4    9   10   15   19   24   29   33   35   35   38   39   40   41   42   47   55 
LCS_GDT     N    42_A     N    42_A      4    6   41      4    4    4    5    9   10   15   19   24   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     M    43_A     M    43_A      4    6   41      4    4    4    5    8   10   15   19   24   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     G    44_A     G    44_A      3    9   41      3    3    5    8   11   14   16   19   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     P    45_A     P    45_A     11   14   41      6    8   11   11   12   14   16   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     E    46_A     E    46_A     11   14   41      6    9   11   11   12   14   17   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     A    47_A     A    47_A     11   14   41      6    9   11   11   12   14   15   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     R    48_A     R    48_A     11   14   41      6    9   11   11   12   14   15   19   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     Q    49_A     Q    49_A     11   14   41      6    9   11   11   12   14   17   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     M    50_A     M    50_A     11   14   41      6    9   11   11   12   14   17   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     L    51_A     L    51_A     11   14   41      6    9   11   11   12   14   14   18   24   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     R    52_A     R    52_A     11   14   41      4    9   11   11   12   14   14   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     P    53_A     P    53_A     11   14   41      4    9   11   11   12   14   17   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     M    54_A     M    54_A     11   14   41      4    7   11   11   12   14   15   19   24   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     F    55_A     F    55_A     11   14   41      4    9   11   11   12   14   14   15   18   29   31   35   35   38   39   40   41   42   44   46 
LCS_GDT     R    56_A     R    56_A      7   14   41      4    5    7    9   12   14   16   20   25   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     E    57_A     E    57_A      5   14   41      4    5    5    9   10   14   16   19   24   29   33   35   35   38   39   40   41   42   44   46 
LCS_GDT     M    58_A     M    58_A      5   14   41      4    5    5    9   12   14   14   18   23   27   32   35   35   38   39   40   41   42   44   47 
LCS_GDT     M    59_A     M    59_A      3    4   41      3    3    3    4    8   10   13   17   21   26   28   34   35   38   39   40   46   50   57   65 
LCS_GDT     S    60_A     S    60_A      3    4   40      3    3    3    4    4    7   11   15   20   22   26   29   33   38   38   40   46   50   56   64 
LCS_GDT     N    61_A     N    61_A      3    8   24      3    3    3    4    4    7    8   12   17   18   22   24   31   37   46   51   59   69   78   88 
LCS_GDT     P    62_A     P    62_A      7    8   24      4    6    7    7    8    9   12   14   19   27   29   35   46   52   60   70   79   83   91  100 
LCS_GDT     E    63_A     E    63_A      7    8   24      5    6    7    7    8    8   11   13   17   20   24   29   35   41   49   55   60   69   77   84 
LCS_GDT     S    64_A     S    64_A      7    8   24      5    6    7    7    8    8   11   13   18   20   24   29   37   46   55   65   72   78   85   91 
LCS_GDT     M    65_A     M    65_A      7    8   24      5    6    7    7    8   11   15   20   27   33   42   52   63   69   77   84   90   96  107  117 
LCS_GDT     R    66_A     R    66_A      7    8   23      5    6    7    7    8    8   11   13   20   25   32   37   44   50   60   69   79   83   94  100 
LCS_GDT     S    67_A     S    67_A      7    8   21      5    6    7    7    8    8   11   12   15   18   20   22   23   32   35   43   49   64   70   78 
LCS_GDT     M    68_A     M    68_A      7    8   21      3    5    7    7    8    8    9   12   14   17   19   22   39   47   60   72   79   86   94  100 
LCS_GDT     M    69_A     M    69_A      3    8  134      3    4    4    5    8    8   14   16   22   27   36   49   63   69   78   86  100  108  116  123 
LCS_GDT     N    70_A     N    70_A      3    4  136      3    3    4    4    4    5    8    9   20   25   32   37   44   55   66   74   84   93  105  113 
LCS_GDT     M    71_A     M    71_A      3    4  136      3    3    3    4    4    6   11   18   22   29   37   49   57   68   78   84   93  105  116  124 
LCS_GDT     G    72_A     G    72_A      0    4  137      0    1    3    3    3    9   10   12   40   51   62   71   78   93  107  115  123  125  125  127 
LCS_GDT     R    73_A     R    73_A      3    3  137      3    6    9   16   22   32   41   54   65   73   90  107  116  124  125  126  126  128  129  129 
LCS_GDT     A    74_A     A    74_A      3  125  137      3    6    9   16   22   32   41   54   65   73   90  109  118  124  125  126  126  128  129  129 
LCS_GDT     W    75_A     W    75_A      3  126  137      0    4    7   16   25   37   50   65   82  104  116  122  123  124  125  126  126  128  129  129 
LCS_GDT     G    76_A     G    76_A    123  126  137      3    8   44   79  115  120  122  122  123  123  123  123  125  126  126  128  130  130  130  130 
LCS_GDT     S    77_A     S    77_A    123  126  137     12   39   94  118  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K    78_A     K    78_A    123  126  137     57  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K    79_A     K    79_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I    80_A     I    80_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L    81_A     L    81_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I    82_A     I    82_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V    83_A     V    83_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     E    84_A     E    84_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     S    85_A     S    85_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D    86_A     D    86_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     T    87_A     T    87_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A    88_A     A    88_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L    89_A     L    89_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     S    90_A     S    90_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A    91_A     A    91_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     T    92_A     T    92_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L    93_A     L    93_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     R    94_A     R    94_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     S    95_A     S    95_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A    96_A     A    96_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L    97_A     L    97_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     E    98_A     E    98_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G    99_A     G    99_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     R   100_A     R   100_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   101_A     G   101_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     F   102_A     F   102_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     T   103_A     T   103_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   104_A     V   104_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   105_A     D   105_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     E   106_A     E   106_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     T   107_A     T   107_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     T   108_A     T   108_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   109_A     D   109_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   110_A     G   110_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   111_A     K   111_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   112_A     G   112_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     S   113_A     S   113_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   114_A     V   114_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     E   115_A     E   115_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     Q   116_A     Q   116_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I   117_A     I   117_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     R   118_A     R   118_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     R   119_A     R   119_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   120_A     D   120_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     R   121_A     R   121_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     P   122_A     P   122_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   123_A     D   123_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   124_A     L   124_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   125_A     V   125_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   126_A     V   126_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   127_A     L   127_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   128_A     A   128_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   129_A     V   129_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   130_A     D   130_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   131_A     L   131_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     S   132_A     S   132_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   133_A     A   133_A    123  126  137      4   75  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   134_A     G   134_A    123  126  137      4    7  114  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     Q   135_A     Q   135_A    123  126  137      4   75  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     N   136_A     N   136_A    123  126  137      4  100  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   137_A     G   137_A    123  126  137     70  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     Y   138_A     Y   138_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   139_A     L   139_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I   140_A     I   140_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     C   141_A     C   141_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   142_A     G   142_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   143_A     K   143_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   144_A     L   144_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   145_A     K   145_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   146_A     K   146_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   147_A     D   147_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   148_A     D   148_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  126  128  129  130  130  131  131 
LCS_GDT     D   149_A     D   149_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   150_A     L   150_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   151_A     K   151_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     N   152_A     N   152_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   153_A     V   153_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     P   154_A     P   154_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I   155_A     I   155_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   156_A     V   156_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I   157_A     I   157_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I   158_A     I   158_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   159_A     G   159_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     N   160_A     N   160_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     P   161_A     P   161_A    123  126  137     79  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   162_A     D   162_A    123  126  137     87  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   163_A     G   163_A    123  126  137     78  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     F   164_A     F   164_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   165_A     A   165_A    123  126  137     68  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     Q   166_A     Q   166_A    123  126  137     61  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     H   167_A     H   167_A    123  126  137     87  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     R   168_A     R   168_A    123  126  137     89  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   169_A     K   169_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   170_A     L   170_A    123  126  137     87  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   171_A     K   171_A    123  126  137      4  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   172_A     A   172_A    123  126  137      4  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     H   173_A     H   173_A    123  126  137     44  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   174_A     A   174_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   175_A     D   175_A    123  126  137     90  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     E   176_A     E   176_A    123  126  137     87  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     Y   177_A     Y   177_A    123  126  137     89  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   178_A     V   178_A    123  126  137     87  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   179_A     A   179_A    123  126  137     87  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     K   180_A     K   180_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     P   181_A     P   181_A    123  126  137     90  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   182_A     V   182_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   183_A     D   183_A    123  126  137     90  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   184_A     A   184_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     D   185_A     D   185_A    123  126  137     90  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     Q   186_A     Q   186_A    123  126  137     90  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   187_A     L   187_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     V   188_A     V   188_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     E   189_A     E   189_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     R   190_A     R   190_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   191_A     A   191_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   192_A     G   192_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     A   193_A     A   193_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     L   194_A     L   194_A    123  126  137     91  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     I   195_A     I   195_A    123  126  137     78  114  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   196_A     G   196_A    123  126  137     19  107  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     F   197_A     F   197_A    123  126  137     33  113  118  120  120  121  122  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     P   198_A     P   198_A    123  126  137      3    4    5   45   63   90  121  122  123  123  123  124  125  127  128  129  130  130  131  131 
LCS_GDT     E   199_A     E   199_A      4  126  137      3    4    5   12   23   39   62   83  107  117  122  124  125  127  128  129  130  130  131  131 
LCS_GDT     G   200_A     G   200_A      4  126  137      3    4    6    9   12   23   43   69   87  108  120  124  125  127  128  129  130  130  131  131 
LCS_GDT     N   201_A     N   201_A      4  126  137      3    4    6    9   12   16   29   47   74   87  109  120  125  127  128  129  130  130  131  131 
LCS_GDT     S   202_A     S   202_A      4    5  137      3    4    4    9   12   16   19   40   53   62   81   97  113  123  127  129  130  130  131  131 
LCS_GDT     M   203_A     M   203_A      3    5  137      3    3    3    9   11   20   30   45   63   85  104  116  122  127  128  129  130  130  131  131 
LCS_GDT     M   204_A     M   204_A      3    5  137      3    4    6   10   15   22   36   49   69   83  102  118  123  127  128  129  130  130  131  131 
LCS_GDT     I   205_A     I   205_A      4    5  137      3    5    7   12   19   34   50   72   86  104  119  121  125  127  128  129  130  130  131  131 
LCS_GDT     A   206_A     A   206_A      4    5  137      3    3    4    4    5   13   17   22   28   37   51   67   83   94  104  119  125  127  131  131 
LCS_GDT     L   207_A     L   207_A      4    5  137      3    3    4    4    5    6    7    8   10   12   20   23   40   70   88  100  108  123  128  129 
LCS_GDT     G   208_A     G   208_A      4    5  137      3    3    4    4    8   11   14   20   27   38   51   67   83   94  104  117  125  127  131  131 
LCS_GDT     V   209_A     V   209_A      4    4  137      3    3    4    4    8   13   16   20   28   37   48   58   68   77   89  102  110  120  127  128 
LCS_GDT     A   210_A     A   210_A      4    4  136      3    3    4    4    4    5    7    8    9   11   16   22   29   39   45   54   65   75   78   85 
LCS_GDT     C   211_A     C   211_A      4    4   27      3    3    4    4    4    4    7    8    9   23   26   28   33   35   45   51   58   75   79   90 
LCS_GDT     A   212_A     A   212_A      4    4   27      0    3    4    4    8   12   15   19   24   33   40   48   57   65   73   81   93  110  115  121 
LCS_GDT     I   213_A     I   213_A      3    3   27      0    3    3    3    3    8    9   13   19   26   33   43   49   55   60   65   73   85   94  110 
LCS_GDT     A   214_A     A   214_A      3    4   26      0    3    3    4    4    4    8   13   18   23   26   33   38   46   54   59   65   72   77   88 
LCS_GDT     L   215_A     L   215_A      3    4   11      3    3    3    4    4    4    5   11   15   20   25   33   40   50   55   59   65   72   82   91 
LCS_GDT     A   216_A     A   216_A      3    4   11      3    3    3    4    4    4    5    6   14   20   23   30   32   35   43   46   54   65   72   77 
LCS_GDT     I   217_A     I   217_A      3    4   11      3    4    4    5    7    9   12   12   13   15   18   22   24   28   32   37   44   48   53   57 
LCS_GDT     A   218_A     A   218_A      3    3   11      3    4    4    5    7    9   12   12   13   15   17   22   23   28   32   35   41   48   51   53 
LCS_GDT     A   219_A     A   219_A      3    3   11      3    4    4    5    7    9   12   12   13   15   17   19   23   27   30   34   39   46   51   53 
LCS_GDT     V   220_A     V   220_A      3    3   11      3    3    3    3    4    4    5    6    7    9   11   12   13   16   18   21   23   27   29   33 
LCS_GDT     Y   221_A     Y   221_A      3    3   11      3    3    3    3    4    4    5    5    7    8   11   11   12   14   14   16   17   18   19   20 
LCS_GDT     F   222_A     F   222_A      3    3   11      3    3    3    3    4    4    4    5    6    7    7   10   11   13   14   14   17   18   19   20 
LCS_AVERAGE  LCS_A:  36.88  (  31.87   34.25   44.53 )

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     91    114    118    120    120    121    122    122    123    123    123    124    125    127    128    129    130    130    131    131 
GDT PERCENT_AT  40.99  51.35  53.15  54.05  54.05  54.50  54.95  54.95  55.41  55.41  55.41  55.86  56.31  57.21  57.66  58.11  58.56  58.56  59.01  59.01
GDT RMS_LOCAL    0.27   0.41   0.49   0.55   0.55   0.64   0.80   0.80   0.94   0.94   0.94   1.48   1.55   2.55   2.54   2.76   2.81   2.81   3.42   3.42
GDT RMS_ALL_AT  23.61  23.62  23.67  23.66  23.66  23.60  23.51  23.51  23.45  23.45  23.45  23.39  23.31  23.33  23.33  23.25  23.17  23.17  23.47  23.47

# Checking swapping
#   possible swapping detected:  E     8_A      E     8_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  D   148_A      D   148_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  D   162_A      D   162_A
#   possible swapping detected:  E   176_A      E   176_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   197_A      F   197_A
#   possible swapping detected:  E   199_A      E   199_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    35.753     0    0.141   0.141    37.722    0.000    0.000
LGA    P     2_A      P     2_A    30.229     0    0.601   0.568    33.124    0.000    0.000
LGA    H     3_A      H     3_A    30.116     0    0.019   1.144    31.151    0.000    0.000
LGA    M     4_A      M     4_A    33.328     0    0.286   0.766    35.993    0.000    0.000
LGA    E     5_A      E     5_A    34.627     0    0.031   1.507    36.443    0.000    0.000
LGA    Q     6_A      Q     6_A    32.842     0    0.089   1.167    35.436    0.000    0.000
LGA    L     7_A      L     7_A    35.661     0    0.035   1.396    39.554    0.000    0.000
LGA    E     8_A      E     8_A    41.156     0    0.061   0.951    43.859    0.000    0.000
LGA    G     9_A      G     9_A    40.774     0    0.028   0.028    42.606    0.000    0.000
LGA    I    10_A      I    10_A    39.494     0    0.091   1.201    43.298    0.000    0.000
LGA    M    11_A      M    11_A    45.444     0    0.085   1.101    50.874    0.000    0.000
LGA    L    12_A      L    12_A    48.536     0    0.155   1.019    49.969    0.000    0.000
LGA    S    13_A      S    13_A    44.997     0    0.482   0.751    45.719    0.000    0.000
LGA    P    14_A      P    14_A    44.338     0    0.098   0.479    44.557    0.000    0.000
LGA    A    15_A      A    15_A    38.687     0    0.589   0.584    40.579    0.000    0.000
LGA    F    16_A      F    16_A    38.649     0    0.605   1.304    42.462    0.000    0.000
LGA    Q    17_A      Q    17_A    41.361     0    0.623   1.201    42.946    0.000    0.000
LGA    E    18_A      E    18_A    42.839     0    0.025   1.188    46.213    0.000    0.000
LGA    Q    19_A      Q    19_A    38.909     0    0.055   0.662    40.253    0.000    0.000
LGA    M    20_A      M    20_A    39.692     0    0.612   1.050    43.008    0.000    0.000
LGA    N    21_A      N    21_A    43.326     0    0.617   0.598    46.255    0.000    0.000
LGA    A    22_A      A    22_A    41.808     0    0.047   0.063    42.378    0.000    0.000
LGA    L    23_A      L    23_A    39.038     0    0.089   1.382    40.145    0.000    0.000
LGA    M    24_A      M    24_A    40.079     0    0.218   1.005    43.125    0.000    0.000
LGA    L    25_A      L    25_A    41.713     0    0.035   1.400    46.641    0.000    0.000
LGA    D    26_A      D    26_A    41.107     0    0.583   0.950    42.284    0.000    0.000
LGA    P    27_A      P    27_A    38.797     0    0.130   0.532    42.326    0.000    0.000
LGA    R    28_A      R    28_A    36.390     0    0.051   1.619    39.243    0.000    0.000
LGA    M    29_A      M    29_A    33.364     0    0.115   0.812    34.768    0.000    0.000
LGA    L    30_A      L    30_A    33.191     0    0.076   0.856    34.170    0.000    0.000
LGA    D    31_A      D    31_A    32.937     0    0.056   1.137    37.416    0.000    0.000
LGA    M    32_A      M    32_A    30.950     0    0.048   0.916    31.802    0.000    0.000
LGA    M    33_A      M    33_A    27.958     0    0.338   1.092    29.500    0.000    0.000
LGA    I    34_A      I    34_A    33.680     0    0.640   0.997    38.430    0.000    0.000
LGA    D    35_A      D    35_A    33.111     0    0.364   1.158    36.638    0.000    0.000
LGA    Q    36_A      Q    36_A    27.598     0    0.667   1.376    29.099    0.000    0.000
LGA    N    37_A      N    37_A    29.515     0    0.165   0.529    30.989    0.000    0.000
LGA    P    38_A      P    38_A    28.647     0    0.662   0.613    31.734    0.000    0.000
LGA    Q    39_A      Q    39_A    29.002     0    0.704   1.384    29.328    0.000    0.000
LGA    L    40_A      L    40_A    26.194     0    0.660   0.576    28.270    0.000    0.000
LGA    R    41_A      R    41_A    25.866     0    0.117   1.249    28.315    0.000    0.000
LGA    N    42_A      N    42_A    27.970     0    0.196   1.271    30.880    0.000    0.000
LGA    M    43_A      M    43_A    31.136     0    0.607   1.082    33.285    0.000    0.000
LGA    G    44_A      G    44_A    36.021     0    0.278   0.278    36.021    0.000    0.000
LGA    P    45_A      P    45_A    34.793     0    0.681   0.621    36.963    0.000    0.000
LGA    E    46_A      E    46_A    37.772     0    0.056   1.200    39.169    0.000    0.000
LGA    A    47_A      A    47_A    34.915     0    0.051   0.055    35.653    0.000    0.000
LGA    R    48_A      R    48_A    34.728     0    0.065   1.258    36.613    0.000    0.000
LGA    Q    49_A      Q    49_A    39.238     0    0.085   1.055    42.245    0.000    0.000
LGA    M    50_A      M    50_A    38.748     0    0.219   1.077    42.342    0.000    0.000
LGA    L    51_A      L    51_A    35.658     0    0.064   0.914    36.749    0.000    0.000
LGA    R    52_A      R    52_A    38.659     0    0.032   1.109    40.753    0.000    0.000
LGA    P    53_A      P    53_A    42.639     0    0.054   0.251    43.822    0.000    0.000
LGA    M    54_A      M    54_A    40.438     0    0.114   1.136    43.777    0.000    0.000
LGA    F    55_A      F    55_A    37.469     0    0.037   1.459    38.934    0.000    0.000
LGA    R    56_A      R    56_A    41.510     0    0.019   1.573    50.781    0.000    0.000
LGA    E    57_A      E    57_A    44.493     0    0.091   1.218    47.068    0.000    0.000
LGA    M    58_A      M    58_A    40.864     0    0.365   0.993    42.820    0.000    0.000
LGA    M    59_A      M    59_A    38.810     0    0.701   1.155    39.560    0.000    0.000
LGA    S    60_A      S    60_A    40.221     0    0.657   0.744    42.523    0.000    0.000
LGA    N    61_A      N    61_A    36.354     0    0.598   1.164    38.170    0.000    0.000
LGA    P    62_A      P    62_A    35.882     0    0.410   0.522    36.837    0.000    0.000
LGA    E    63_A      E    63_A    39.815     0    0.056   0.815    43.970    0.000    0.000
LGA    S    64_A      S    64_A    36.196     0    0.029   0.587    37.527    0.000    0.000
LGA    M    65_A      M    65_A    31.031     0    0.055   0.671    32.944    0.000    0.000
LGA    R    66_A      R    66_A    34.657     0    0.052   1.595    39.169    0.000    0.000
LGA    S    67_A      S    67_A    38.186     0    0.358   0.424    42.010    0.000    0.000
LGA    M    68_A      M    68_A    33.433     0    0.224   0.748    34.928    0.000    0.000
LGA    M    69_A      M    69_A    27.129     0    0.086   1.202    29.256    0.000    0.000
LGA    N    70_A      N    70_A    28.826     0    0.565   0.933    31.558    0.000    0.000
LGA    M    71_A      M    71_A    26.611     0    0.463   1.063    29.127    0.000    0.000
LGA    G    72_A      G    72_A    20.594     0    0.545   0.545    22.297    0.000    0.000
LGA    R    73_A      R    73_A    15.895     0    0.592   1.306    17.518    0.000    0.000
LGA    A    74_A      A    74_A    15.550     0    0.637   0.591    16.676    0.000    0.000
LGA    W    75_A      W    75_A    12.610     0    0.689   0.475    21.391    0.000    0.000
LGA    G    76_A      G    76_A     5.269     0    0.591   0.591     7.892   26.905   26.905
LGA    S    77_A      S    77_A     3.288     0    0.195   0.671     4.129   45.357   45.794
LGA    K    78_A      K    78_A     0.944     0    0.103   1.476     7.020   92.976   63.862
LGA    K    79_A      K    79_A     0.345     0    0.021   1.105     3.436  100.000   82.646
LGA    I    80_A      I    80_A     0.288     0    0.030   0.061     0.421  100.000  100.000
LGA    L    81_A      L    81_A     0.283     0    0.028   0.859     2.236  100.000   92.083
LGA    I    82_A      I    82_A     0.273     0    0.032   0.167     1.042  100.000   95.298
LGA    V    83_A      V    83_A     0.100     0    0.019   0.056     0.153  100.000  100.000
LGA    E    84_A      E    84_A     0.266     0    0.024   0.302     0.718  100.000   97.884
LGA    S    85_A      S    85_A     0.370     0    0.037   0.040     0.407  100.000  100.000
LGA    D    86_A      D    86_A     0.377     0    0.026   0.089     0.555  100.000   97.619
LGA    T    87_A      T    87_A     0.209     0    0.023   0.203     0.538  100.000   98.639
LGA    A    88_A      A    88_A     0.199     0    0.037   0.038     0.331  100.000  100.000
LGA    L    89_A      L    89_A     0.260     0    0.024   0.087     0.329  100.000  100.000
LGA    S    90_A      S    90_A     0.175     0    0.024   0.573     2.090  100.000   94.127
LGA    A    91_A      A    91_A     0.104     0    0.034   0.040     0.176  100.000  100.000
LGA    T    92_A      T    92_A     0.191     0    0.039   0.124     0.362  100.000  100.000
LGA    L    93_A      L    93_A     0.259     0    0.036   0.061     0.418  100.000  100.000
LGA    R    94_A      R    94_A     0.173     0    0.027   0.823     2.450  100.000   91.688
LGA    S    95_A      S    95_A     0.305     0    0.064   0.109     0.978  100.000   96.825
LGA    A    96_A      A    96_A     0.204     0    0.029   0.047     0.351  100.000  100.000
LGA    L    97_A      L    97_A     0.171     0    0.026   0.139     0.698  100.000   98.810
LGA    E    98_A      E    98_A     0.089     0    0.024   0.217     0.462  100.000  100.000
LGA    G    99_A      G    99_A     0.308     0    0.101   0.101     0.968   95.238   95.238
LGA    R   100_A      R   100_A     0.419     0    0.121   1.073     2.599  100.000   84.502
LGA    G   101_A      G   101_A     0.258     0    0.048   0.048     0.331  100.000  100.000
LGA    F   102_A      F   102_A     0.313     0    0.042   0.394     1.527  100.000   89.870
LGA    T   103_A      T   103_A     0.079     0    0.056   0.064     0.245  100.000  100.000
LGA    V   104_A      V   104_A     0.258     0    0.069   0.097     0.696  100.000   97.279
LGA    D   105_A      D   105_A     0.095     0    0.046   0.842     3.455  100.000   84.940
LGA    E   106_A      E   106_A     0.175     0    0.029   0.628     1.655  100.000   91.746
LGA    T   107_A      T   107_A     0.313     0    0.028   0.072     0.530   97.619   98.639
LGA    T   108_A      T   108_A     0.201     0    0.027   0.928     2.349  100.000   91.088
LGA    D   109_A      D   109_A     0.101     0    0.038   0.210     0.740  100.000   98.810
LGA    G   110_A      G   110_A     0.135     0    0.032   0.032     0.232  100.000  100.000
LGA    K   111_A      K   111_A     0.222     0    0.028   1.413     4.770  100.000   81.534
LGA    G   112_A      G   112_A     0.348     0    0.105   0.105     0.348  100.000  100.000
LGA    S   113_A      S   113_A     0.113     0    0.035   0.049     0.269  100.000  100.000
LGA    V   114_A      V   114_A     0.163     0    0.016   0.943     2.360  100.000   89.932
LGA    E   115_A      E   115_A     0.396     0    0.042   0.171     1.242  100.000   93.704
LGA    Q   116_A      Q   116_A     0.146     0    0.034   0.987     2.452  100.000   93.069
LGA    I   117_A      I   117_A     0.287     0    0.031   0.136     0.724  100.000   97.619
LGA    R   118_A      R   118_A     0.409     0    0.059   0.705     1.988  100.000   86.667
LGA    R   119_A      R   119_A     0.271     0    0.017   1.218     2.750  100.000   85.498
LGA    D   120_A      D   120_A     0.269     0    0.093   0.137     0.675  100.000   97.619
LGA    R   121_A      R   121_A     0.256     0    0.081   0.943     3.560  100.000   82.251
LGA    P   122_A      P   122_A     0.234     0    0.052   0.087     0.276  100.000  100.000
LGA    D   123_A      D   123_A     0.298     0    0.054   0.261     1.145   97.619   94.107
LGA    L   124_A      L   124_A     0.346     0    0.023   0.194     0.756  100.000   98.810
LGA    V   125_A      V   125_A     0.263     0    0.019   0.072     0.372  100.000  100.000
LGA    V   126_A      V   126_A     0.287     0    0.044   0.998     2.280  100.000   89.932
LGA    L   127_A      L   127_A     0.164     0    0.047   0.073     0.462  100.000  100.000
LGA    A   128_A      A   128_A     0.280     0    0.025   0.037     0.339  100.000  100.000
LGA    V   129_A      V   129_A     0.371     0    0.040   0.907     2.322  100.000   89.728
LGA    D   130_A      D   130_A     0.091     0    0.139   1.235     4.321   97.619   83.155
LGA    L   131_A      L   131_A     0.284     0    0.053   0.255     0.683   97.619   96.429
LGA    S   132_A      S   132_A     0.284     0    0.024   0.081     1.399   92.976   90.635
LGA    A   133_A      A   133_A     1.701     0    0.071   0.073     2.778   69.048   68.190
LGA    G   134_A      G   134_A     2.506     0    0.059   0.059     2.609   60.952   60.952
LGA    Q   135_A      Q   135_A     1.574     0    0.062   1.208     3.909   77.143   68.995
LGA    N   136_A      N   136_A     1.303     0    0.064   1.088     2.686   83.810   77.500
LGA    G   137_A      G   137_A     0.845     0    0.027   0.027     0.951   90.476   90.476
LGA    Y   138_A      Y   138_A     0.592     0    0.057   0.200     1.675   92.857   85.278
LGA    L   139_A      L   139_A     0.571     0    0.044   0.222     0.849   90.476   90.476
LGA    I   140_A      I   140_A     0.490     0    0.034   0.615     2.321   92.857   88.452
LGA    C   141_A      C   141_A     0.565     0    0.039   0.118     1.020   90.476   88.968
LGA    G   142_A      G   142_A     0.438     0    0.038   0.038     0.503   97.619   97.619
LGA    K   143_A      K   143_A     0.396     0    0.036   0.903     4.709  100.000   77.566
LGA    L   144_A      L   144_A     0.261     0    0.025   0.167     0.517  100.000   97.619
LGA    K   145_A      K   145_A     0.381     0    0.065   0.457     1.490   95.238   91.640
LGA    K   146_A      K   146_A     0.522     0    0.117   1.016     4.737   92.857   79.735
LGA    D   147_A      D   147_A     0.489     0    0.027   0.150     1.040   97.619   92.917
LGA    D   148_A      D   148_A     0.429     0    0.064   0.671     2.156  100.000   90.893
LGA    D   149_A      D   149_A     0.405     0    0.017   0.389     1.759  100.000   93.036
LGA    L   150_A      L   150_A     0.416     0    0.107   1.153     2.994  100.000   87.738
LGA    K   151_A      K   151_A     0.297     0    0.051   1.075     4.299   97.619   85.344
LGA    N   152_A      N   152_A     0.580     0    0.160   0.191     2.338   95.238   84.107
LGA    V   153_A      V   153_A     0.192     0    0.022   0.053     0.377  100.000  100.000
LGA    P   154_A      P   154_A     0.210     0    0.041   0.268     1.037  100.000   97.347
LGA    I   155_A      I   155_A     0.137     0    0.025   0.169     0.475  100.000  100.000
LGA    V   156_A      V   156_A     0.218     0    0.038   0.065     0.435  100.000  100.000
LGA    I   157_A      I   157_A     0.143     0    0.027   0.542     1.753  100.000   96.607
LGA    I   158_A      I   158_A     0.283     0    0.043   0.097     0.471  100.000  100.000
LGA    G   159_A      G   159_A     0.331     0    0.032   0.032     0.356  100.000  100.000
LGA    N   160_A      N   160_A     0.482     0    0.028   0.662     2.718   97.619   89.940
LGA    P   161_A      P   161_A     0.709     0    0.122   0.116     0.733   92.857   93.197
LGA    D   162_A      D   162_A     0.684     0    0.574   1.251     5.753   78.095   63.571
LGA    G   163_A      G   163_A     0.780     0    0.181   0.181     0.960   90.476   90.476
LGA    F   164_A      F   164_A     0.522     0    0.062   0.354     1.217   92.857   89.697
LGA    A   165_A      A   165_A     0.611     0    0.017   0.033     0.845   92.857   92.381
LGA    Q   166_A      Q   166_A     0.692     0    0.042   1.061     3.492   90.476   77.354
LGA    H   167_A      H   167_A     0.640     0    0.035   0.252     1.476   90.476   85.952
LGA    R   168_A      R   168_A     0.543     0    0.034   1.059     3.400   90.476   78.788
LGA    K   169_A      K   169_A     0.415     0    0.123   0.785     1.477   92.976   88.571
LGA    L   170_A      L   170_A     0.655     0    0.048   0.818     2.418   90.476   87.321
LGA    K   171_A      K   171_A     0.916     0    0.052   1.135     6.846   88.214   61.323
LGA    A   172_A      A   172_A     0.902     0    0.494   0.450     2.311   81.786   80.000
LGA    H   173_A      H   173_A     0.821     0    0.078   0.174     0.890   90.476   90.476
LGA    A   174_A      A   174_A     0.380     0    0.032   0.039     0.590   97.619   98.095
LGA    D   175_A      D   175_A     0.463     0    0.049   0.420     1.172  100.000   94.167
LGA    E   176_A      E   176_A     0.679     0    0.029   0.668     1.908   90.476   87.513
LGA    Y   177_A      Y   177_A     0.567     0    0.019   0.212     1.106   90.476   88.968
LGA    V   178_A      V   178_A     0.639     0    0.062   0.085     1.198   95.238   90.612
LGA    A   179_A      A   179_A     0.610     0    0.636   0.643     2.892   82.143   82.000
LGA    K   180_A      K   180_A     0.332     0    0.160   0.747     1.365   95.357   92.698
LGA    P   181_A      P   181_A     0.636     0    0.075   0.440     2.401   92.857   85.578
LGA    V   182_A      V   182_A     0.536     0    0.049   1.126     2.495   95.238   85.850
LGA    D   183_A      D   183_A     0.641     0    0.071   0.693     3.591   92.857   77.262
LGA    A   184_A      A   184_A     0.217     0    0.046   0.058     0.368  100.000  100.000
LGA    D   185_A      D   185_A     0.498     0    0.027   0.944     3.784   97.619   79.881
LGA    Q   186_A      Q   186_A     0.689     0    0.037   1.115     5.865   90.476   68.783
LGA    L   187_A      L   187_A     0.483     0    0.040   0.053     0.891  100.000   95.238
LGA    V   188_A      V   188_A     0.233     0    0.030   0.221     0.571  100.000   98.639
LGA    E   189_A      E   189_A     0.521     0    0.029   0.371     1.910   92.857   87.566
LGA    R   190_A      R   190_A     0.545     0    0.040   0.354     1.246   95.238   91.385
LGA    A   191_A      A   191_A     0.376     0    0.073   0.070     0.435  100.000  100.000
LGA    G   192_A      G   192_A     0.414     0    0.082   0.082     0.868   95.238   95.238
LGA    A   193_A      A   193_A     0.453     0    0.024   0.041     0.620  100.000   98.095
LGA    L   194_A      L   194_A     0.381     0    0.048   0.284     0.834  100.000   98.810
LGA    I   195_A      I   195_A     0.786     0    0.646   0.741     3.221   78.095   83.274
LGA    G   196_A      G   196_A     1.515     0    0.114   0.114     1.553   77.143   77.143
LGA    F   197_A      F   197_A     1.417     0    0.611   0.494     2.215   77.381   75.281
LGA    P   198_A      P   198_A     5.560     0    0.128   0.158     8.068   21.310   16.599
LGA    E   199_A      E   199_A    10.045     0    0.638   1.410    13.746    1.190    0.529
LGA    G   200_A      G   200_A    10.460     0    0.068   0.068    12.350    0.000    0.000
LGA    N   201_A      N   201_A    11.264     0    0.120   1.314    13.798    0.000    0.238
LGA    S   202_A      S   202_A    14.585     0    0.615   0.757    17.464    0.000    0.000
LGA    M   203_A      M   203_A    14.507     0    0.073   1.461    20.857    0.000    0.000
LGA    M   204_A      M   204_A    14.100     0    0.589   1.277    16.977    0.000    0.000
LGA    I   205_A      I   205_A    12.609     0    0.603   1.531    16.131    0.000    0.000
LGA    A   206_A      A   206_A    18.023     0    0.044   0.060    21.359    0.000    0.000
LGA    L   207_A      L   207_A    21.109     0    0.640   1.084    24.966    0.000    0.000
LGA    G   208_A      G   208_A    20.218     0    0.616   0.616    22.384    0.000    0.000
LGA    V   209_A      V   209_A    24.304     0    0.608   1.428    27.098    0.000    0.000
LGA    A   210_A      A   210_A    31.103     0    0.035   0.042    32.974    0.000    0.000
LGA    C   211_A      C   211_A    31.643     0    0.605   0.650    33.433    0.000    0.000
LGA    A   212_A      A   212_A    29.173     0    0.632   0.614    32.593    0.000    0.000
LGA    I   213_A      I   213_A    34.659     0    0.603   0.838    37.788    0.000    0.000
LGA    A   214_A      A   214_A    37.927     0    0.587   0.585    40.017    0.000    0.000
LGA    L   215_A      L   215_A    38.254     0    0.625   0.658    38.878    0.000    0.000
LGA    A   216_A      A   216_A    41.068     0    0.621   0.604    42.439    0.000    0.000
LGA    I   217_A      I   217_A    43.754     0    0.615   0.601    46.866    0.000    0.000
LGA    A   218_A      A   218_A    45.391     0    0.609   0.602    45.865    0.000    0.000
LGA    A   219_A      A   219_A    46.291     0    0.616   0.571    48.717    0.000    0.000
LGA    V   220_A      V   220_A    49.411     0    0.699   0.729    52.225    0.000    0.000
LGA    Y   221_A      Y   221_A    55.019     0    0.719   1.355    62.217    0.000    0.000
LGA    F   222_A      F   222_A    54.451     0    0.206   1.299    57.205    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):    15.839         15.851                 16.170           52.194   49.437

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    122    0.80    54.617    49.612    13.588

LGA_LOCAL      RMSD:   0.798  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.507  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  15.839  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.468566 * X  +   0.387240 * Y  +  -0.794035 * Z  +  15.206183
  Y_new =   0.205945 * X  +   0.826166 * Y  +   0.524439 * Z  +  24.435459
  Z_new =   0.859088 * X  +  -0.409262 * Y  +   0.307364 * Z  +  32.788780 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.414105 -1.033486 -0.926643   [DEG:   23.7265  -59.2144  -53.0927 ]
ZXZ: -2.154500  1.258375  2.015379   [DEG: -123.4437   72.0996  115.4727 ]
 
# END of job
