
#######################################################
#                                                     #
#                        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:   144      62_A - 205_A       4.98    23.85
  LCS_AVERAGE:     51.54

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      72_A - 197_A       1.91    26.60
  LONGEST_CONTINUOUS_SEGMENT:   126      73_A - 198_A       1.84    26.86
  LCS_AVERAGE:     38.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      77_A - 167_A       0.99    26.96
  LCS_AVERAGE:     21.71

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      4    5   37      3    4    4    4    5    6    8   10   12   16   18   20   26   28   32   38   43   45   45   47 
LCS_GDT     P     2_A     P     2_A      4   16   37      3    4    4    4    5   11   14   19   21   23   27   30   34   36   38   42   43   48   50   53 
LCS_GDT     H     3_A     H     3_A     11   24   37      3    4    9   15   18   22   23   27   30   34   35   36   58   89   93   99  105  128  145  147 
LCS_GDT     M     4_A     M     4_A     16   24   57      9   12   17   19   21   22   27   31   32   55   61   74   82   91  100  118  127  138  145  147 
LCS_GDT     E     5_A     E     5_A     16   25   57      9   12   17   19   21   24   29   31   33   35   44   74   82   89  108  128  133  138  145  147 
LCS_GDT     Q     6_A     Q     6_A     16   25   57      9   12   17   19   21   25   29   31   33   35   39   44   51   55   60   67  105  112  128  136 
LCS_GDT     L     7_A     L     7_A     16   25   57      9   12   17   19   21   27   29   31   33   35   61   74   82   89   93  110  117  138  145  147 
LCS_GDT     E     8_A     E     8_A     16   25   57      9   12   17   19   22   27   29   31   33   55   61   80   91  103  123  129  133  138  145  147 
LCS_GDT     G     9_A     G     9_A     16   25   58      9   12   17   20   23   27   29   31   35   39   42   46   51   55  104  110  132  138  145  147 
LCS_GDT     I    10_A     I    10_A     17   25   58      9   12   17   20   24   27   29   32   37   41   45   47   82   89   93   99  117  138  145  147 
LCS_GDT     M    11_A     M    11_A     17   25   60      9   12   17   20   24   27   29   37   41   55   61   80   88  102  110  126  133  138  145  147 
LCS_GDT     L    12_A     L    12_A     17   25   60      9   14   18   22   24   27   34   37   41   44   46   52   55   64   68  110  133  138  145  147 
LCS_GDT     S    13_A     S    13_A     17   25   62      6   14   18   22   24   27   29   37   40   44   46   51   54   58  127  129  133  138  145  147 
LCS_GDT     P    14_A     P    14_A     17   25   63      6   14   18   22   24   27   30   37   41   44   48   52   55   62  127  129  133  138  145  147 
LCS_GDT     A    15_A     A    15_A     17   25   63      4   14   18   22   24   27   29   37   41   44   49   54   61   68   71   74   77  112  145  145 
LCS_GDT     F    16_A     F    16_A     17   25   63      8   14   18   22   24   27   34   37   41   45   61   74   82   89   93  110  117  138  145  147 
LCS_GDT     Q    17_A     Q    17_A     17   25   63      8   14   18   22   24   31   34   39   42   49   55   59   82   89  100  112  126  138  145  147 
LCS_GDT     E    18_A     E    18_A     17   25   63      8   14   18   22   24   31   34   39   42   55   61   74   82   93  100  118  126  138  145  147 
LCS_GDT     Q    19_A     Q    19_A     17   25   63      8   14   18   22   24   31   34   40   50   55   62   64   67   71   72   99  105  112  121  130 
LCS_GDT     M    20_A     M    20_A     17   25   63      8   14   18   22   27   32   38   44   54   59   62   64   67   71   72   83   97  108  120  129 
LCS_GDT     N    21_A     N    21_A     17   25   63      8   14   18   22   29   32   38   44   54   59   62   64   67   71   76   86   98  111  122  130 
LCS_GDT     A    22_A     A    22_A     17   25   63      8   14   18   22   29   32   39   44   54   59   62   64   67   71   72   83   98  108  120  129 
LCS_GDT     L    23_A     L    23_A     17   33   63      8   14   18   22   29   32   39   44   54   59   62   64   67   71   72   74   77   85   97  109 
LCS_GDT     M    24_A     M    24_A     17   33   63      6   13   18   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   88   99 
LCS_GDT     L    25_A     L    25_A     17   33   63      6   14   18   22   29   32   39   44   54   59   62   64   67   71   72   74   77   85   97  105 
LCS_GDT     D    26_A     D    26_A     17   33   63      5   14   18   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   93 
LCS_GDT     P    27_A     P    27_A     17   33   63      5   15   19   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     R    28_A     R    28_A     13   33   63      7   10   15   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     M    29_A     M    29_A     13   33   63      5   10   17   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     L    30_A     L    30_A     13   33   63      6   10   17   22   28   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     D    31_A     D    31_A     13   33   63      7   10   15   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     M    32_A     M    32_A     13   33   63      7   10   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     M    33_A     M    33_A     13   33   63      7   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     I    34_A     I    34_A     13   33   63      7   10   14   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     D    35_A     D    35_A     13   33   63      7   10   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     Q    36_A     Q    36_A     13   33   63      7   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     N    37_A     N    37_A     13   33   63      5    9   16   21   28   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     P    38_A     P    38_A     13   33   63      5    8   15   20   28   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     Q    39_A     Q    39_A     13   33   63      5    8   15   19   25   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     L    40_A     L    40_A     13   33   63      5    9   15   19   28   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     R    41_A     R    41_A     13   33   63      5   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     N    42_A     N    42_A     12   33   63      3   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     M    43_A     M    43_A     12   33   63      7   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     G    44_A     G    44_A     12   33   63      8   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     P    45_A     P    45_A     12   33   63      8   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     E    46_A     E    46_A     12   33   63      8   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   83   88 
LCS_GDT     A    47_A     A    47_A     12   33   63      8   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     R    48_A     R    48_A     12   33   63      8   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     Q    49_A     Q    49_A     13   33   63      8   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   84   88 
LCS_GDT     M    50_A     M    50_A     13   33   63      8   12   17   21   29   32   39   44   54   59   62   64   67   71   72   74   77   79   83   88 
LCS_GDT     L    51_A     L    51_A     13   33   63      8   11   13   19   29   32   38   43   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     R    52_A     R    52_A     13   33   63      3   11   13   19   24   32   38   43   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     P    53_A     P    53_A     13   33   63      6   11   14   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     M    54_A     M    54_A     13   33   63      6   14   18   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     F    55_A     F    55_A     13   33   63      6   14   18   22   29   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     R    56_A     R    56_A     13   28   63      6   11   13   19   23   27   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     E    57_A     E    57_A     13   23   63      6   11   13   19   26   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     M    58_A     M    58_A     13   23   63      6   11   17   20   28   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     M    59_A     M    59_A     13   23   63      6   11   13   19   21   27   39   44   54   59   62   64   67   71   74   84   90  104  114  127 
LCS_GDT     S    60_A     S    60_A     13   23   63      6   11   13   19   21   25   32   39   54   59   62   64   67   71   72   74   80   90  100  112 
LCS_GDT     N    61_A     N    61_A     13   23  142      6   11   13   19   25   31   37   44   54   59   62   64   67   71   72   74   79   91  105  116 
LCS_GDT     P    62_A     P    62_A     15   23  144      7   11   15   19   25   31   37   44   54   59   62   72   82   94  103  117  127  133  141  142 
LCS_GDT     E    63_A     E    63_A     15   23  144      7   11   15   17   18   21   25   29   31   36   54   63   77   91  104  115  123  133  141  142 
LCS_GDT     S    64_A     S    64_A     15   23  144      7   11   15   17   18   20   25   28   31   36   39   59   65   73   83   91  106  117  125  136 
LCS_GDT     M    65_A     M    65_A     15   23  144      7   11   15   19   22   32   37   44   54   59   65   74   86   96  108  124  128  137  141  146 
LCS_GDT     R    66_A     R    66_A     15   23  144      7   11   15   19   26   32   45   60   78   91  103  120  126  132  132  134  137  138  145  147 
LCS_GDT     S    67_A     S    67_A     15   23  144      8   11   15   17   21   22   26   35   48   64   76   89  102  113  125  133  137  138  141  142 
LCS_GDT     M    68_A     M    68_A     15   23  144      8   11   15   19   21   25   30   39   48   62   71   84   95  108  123  129  137  138  141  147 
LCS_GDT     M    69_A     M    69_A     15   23  144      8   11   14   20   25   37   59   72   88  107  120  126  130  132  132  134  137  138  145  147 
LCS_GDT     N    70_A     N    70_A     15   23  144      8   11   15   24   41   64   85  104  119  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     M    71_A     M    71_A     15   23  144      8   11   15   19   21   25   38   59   75   89  104  120  130  132  132  134  137  138  145  147 
LCS_GDT     G    72_A     G    72_A     15  126  144      8   11   15   17   19   27   51   71   88  107  121  126  130  132  132  134  137  138  145  147 
LCS_GDT     R    73_A     R    73_A     15  126  144      8   13   47   79  109  117  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A    74_A     A    74_A     15  126  144      8   11   15   17   23   78  111  119  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     W    75_A     W    75_A     15  126  144      8   11   14   17   35   61   78  100  119  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G    76_A     G    76_A     89  126  144      4   10   21   68  103  115  118  121  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     S    77_A     S    77_A     91  126  144     13   75  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K    78_A     K    78_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K    79_A     K    79_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I    80_A     I    80_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L    81_A     L    81_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I    82_A     I    82_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V    83_A     V    83_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     E    84_A     E    84_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     S    85_A     S    85_A     91  126  144     48   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D    86_A     D    86_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     T    87_A     T    87_A     91  126  144     47   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A    88_A     A    88_A     91  126  144     34   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L    89_A     L    89_A     91  126  144     48   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     S    90_A     S    90_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A    91_A     A    91_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     T    92_A     T    92_A     91  126  144     50   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L    93_A     L    93_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     R    94_A     R    94_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     S    95_A     S    95_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A    96_A     A    96_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L    97_A     L    97_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     E    98_A     E    98_A     91  126  144     53   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G    99_A     G    99_A     91  126  144     47   95  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     R   100_A     R   100_A     91  126  144     47   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   101_A     G   101_A     91  126  144     47   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     F   102_A     F   102_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     T   103_A     T   103_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   104_A     V   104_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   105_A     D   105_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     E   106_A     E   106_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     T   107_A     T   107_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     T   108_A     T   108_A     91  126  144     53   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   109_A     D   109_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   110_A     G   110_A     91  126  144     38   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   111_A     K   111_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   112_A     G   112_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     S   113_A     S   113_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   114_A     V   114_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     E   115_A     E   115_A     91  126  144     48   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     Q   116_A     Q   116_A     91  126  144     52   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I   117_A     I   117_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     R   118_A     R   118_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     R   119_A     R   119_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   120_A     D   120_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     R   121_A     R   121_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     P   122_A     P   122_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   123_A     D   123_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   124_A     L   124_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   125_A     V   125_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   126_A     V   126_A     91  126  144     45   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   127_A     L   127_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   128_A     A   128_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   129_A     V   129_A     91  126  144     45   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   130_A     D   130_A     91  126  144     20   98  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   131_A     L   131_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     S   132_A     S   132_A     91  126  144     45   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   133_A     A   133_A     91  126  144      3    3   62  108  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   134_A     G   134_A     91  126  144      3   30   93  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     Q   135_A     Q   135_A     91  126  144      8   64  102  111  117  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     N   136_A     N   136_A     91  126  144     49   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   137_A     G   137_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     Y   138_A     Y   138_A     91  126  144     41   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   139_A     L   139_A     91  126  144     20   98  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I   140_A     I   140_A     91  126  144     25   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     C   141_A     C   141_A     91  126  144     49   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   142_A     G   142_A     91  126  144     39   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   143_A     K   143_A     91  126  144     25   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   144_A     L   144_A     91  126  144     41   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   145_A     K   145_A     91  126  144     50   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   146_A     K   146_A     91  126  144     22   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   147_A     D   147_A     91  126  144     20   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   148_A     D   148_A     91  126  144     22   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   149_A     D   149_A     91  126  144     22   98  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   150_A     L   150_A     91  126  144     30   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   151_A     K   151_A     91  126  144     49   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     N   152_A     N   152_A     91  126  144     48   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   153_A     V   153_A     91  126  144     48   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     P   154_A     P   154_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I   155_A     I   155_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   156_A     V   156_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I   157_A     I   157_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I   158_A     I   158_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   159_A     G   159_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     N   160_A     N   160_A     91  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     P   161_A     P   161_A     91  126  144     31   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   162_A     D   162_A     91  126  144     61   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   163_A     G   163_A     91  126  144      5   20   89  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     F   164_A     F   164_A     91  126  144      5   66  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   165_A     A   165_A     91  126  144      5   42   80  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     Q   166_A     Q   166_A     91  126  144      5   15   58  104  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     H   167_A     H   167_A     91  126  144      5   56  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     R   168_A     R   168_A     17  126  144      5   66  104  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   169_A     K   169_A     17  126  144      4   11   42  100  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   170_A     L   170_A     26  126  144      3   11   55  103  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   171_A     K   171_A     26  126  144      3   10   39  102  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   172_A     A   172_A     26  126  144      3   66   95  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     H   173_A     H   173_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   174_A     A   174_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   175_A     D   175_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     E   176_A     E   176_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     Y   177_A     Y   177_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   178_A     V   178_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   179_A     A   179_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     K   180_A     K   180_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     P   181_A     P   181_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   182_A     V   182_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   183_A     D   183_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   184_A     A   184_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     D   185_A     D   185_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     Q   186_A     Q   186_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   187_A     L   187_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     V   188_A     V   188_A     26  126  144     38   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     E   189_A     E   189_A     26  126  144     61   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     R   190_A     R   190_A     26  126  144     62   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   191_A     A   191_A     26  126  144     20   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   192_A     G   192_A     26  126  144     10   77  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     A   193_A     A   193_A     26  126  144     32   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     L   194_A     L   194_A     26  126  144     37   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     I   195_A     I   195_A     26  126  144     38   99  108  112  119  121  121  122  123  125  127  127  130  132  132  134  137  138  145  147 
LCS_GDT     G   196_A     G   196_A     26  126  144      3   19   70  104  119  121  121  122  123  125  127  127  130  132  132  134  137  138  142  147 
LCS_GDT     F   197_A     F   197_A     25  126  144      3   19   57  102  119  121  121  122  123  125  127  127  130  132  132  134  137  138  141  145 
LCS_GDT     P   198_A     P   198_A      5  126  144      3    4    6   12   24   42   52   65   87  115  124  125  128  129  130  134  135  138  141  142 
LCS_GDT     E   199_A     E   199_A      5  125  144      3    4    5   11   17   23   24   28   31   33   36   40   95  128  129  134  137  138  141  142 
LCS_GDT     G   200_A     G   200_A     11  124  144      3    4    6   15   23   51   80  102  115  122  127  127  130  132  132  134  137  138  142  147 
LCS_GDT     N   201_A     N   201_A     22   25  144      8   18   20   22   24   38   55   78   97  111  122  127  130  132  132  134  137  138  145  147 
LCS_GDT     S   202_A     S   202_A     22   25  144     11   18   20   22   24   25   26   30   34   41   59   77   88  104  116  128  137  138  141  142 
LCS_GDT     M   203_A     M   203_A     22   25  144     11   18   20   22   24   25   27   36   55   69   76   86   98  110  123  129  137  138  141  147 
LCS_GDT     M   204_A     M   204_A     22   25  144     11   18   20   22   24   25   26   36   50   64   74   85   95  108  122  128  135  138  145  147 
LCS_GDT     I   205_A     I   205_A     22   25  144     11   18   20   22   24   25   26   30   34   37   49   63   73   82   92  100  115  125  131  140 
LCS_GDT     A   206_A     A   206_A     22   25  143     11   18   20   22   24   25   26   30   34   36   39   42   51   61   74   83   88   97  109  118 
LCS_GDT     L   207_A     L   207_A     22   25  142     11   18   20   22   24   25   26   30   34   36   40   46   52   61   72   81   90  101  113  120 
LCS_GDT     G   208_A     G   208_A     22   25  137      9   18   20   22   23   25   26   30   34   36   40   46   51   57   66   69   76   87   97  107 
LCS_GDT     V   209_A     V   209_A     22   25   32      9   18   20   22   24   25   26   30   35   40   49   60   65   71   72   74   77   79   85   88 
LCS_GDT     A   210_A     A   210_A     22   25   32     11   18   20   22   24   25   27   31   36   40   55   60   67   71   72   74   77   79   85   88 
LCS_GDT     C   211_A     C   211_A     22   25   32     11   18   20   22   24   25   28   31   38   44   56   64   67   71   72   74   77   79   85   88 
LCS_GDT     A   212_A     A   212_A     22   25   32     11   18   20   22   24   25   28   31   41   53   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     I   213_A     I   213_A     22   25   32     11   18   20   22   24   25   28   36   48   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     A   214_A     A   214_A     22   25   32     11   18   20   22   25   27   36   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     L   215_A     L   215_A     22   25   32     11   18   20   22   24   27   36   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     A   216_A     A   216_A     22   25   32      8   18   20   22   25   27   36   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     I   217_A     I   217_A     22   25   32      8   18   20   22   25   29   36   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     A   218_A     A   218_A     22   25   32      8   18   20   22   26   32   39   44   54   59   62   64   67   71   72   74   77   79   85   88 
LCS_GDT     A   219_A     A   219_A     22   25   32      6   17   20   22   26   32   39   44   54   59   62   64   67   71   72   74   77   79   82   85 
LCS_GDT     V   220_A     V   220_A     22   25   32      6   13   18   22   25   32   39   44   54   59   62   64   67   71   72   74   77   79   82   85 
LCS_GDT     Y   221_A     Y   221_A     22   25   32      7   18   20   22   24   25   26   42   45   49   55   58   64   66   69   72   76   76   78   82 
LCS_GDT     F   222_A     F   222_A     22   25   32      3    4    8   22   24   25   26   33   43   47   55   58   60   65   68   71   73   76   78   80 
LCS_AVERAGE  LCS_A:  37.12  (  21.71   38.11   51.54 )

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     62     99    108    112    119    121    121    122    123    125    127    127    130    132    132    134    137    138    145    147 
GDT PERCENT_AT  27.93  44.59  48.65  50.45  53.60  54.50  54.50  54.95  55.41  56.31  57.21  57.21  58.56  59.46  59.46  60.36  61.71  62.16  65.32  66.22
GDT RMS_LOCAL    0.33   0.56   0.67   0.81   1.13   1.19   1.19   1.27   1.34   1.66   2.01   2.01   2.54   2.92   2.92   3.12   3.85   3.89   5.09   5.23
GDT RMS_ALL_AT  27.07  26.98  26.98  27.02  27.22  27.22  27.22  27.09  27.00  26.82  26.56  26.56  25.99  25.61  25.61  25.70  24.96  25.03  22.63  22.65

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     8_A      E     8_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  E   115_A      E   115_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:  D   183_A      D   183_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  F   197_A      F   197_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    21.361     0    0.527   0.527    21.361    0.000    0.000
LGA    P     2_A      P     2_A    21.296     0    0.337   0.529    25.146    0.000    0.000
LGA    H     3_A      H     3_A    17.391     0    0.182   1.106    18.772    0.000    0.000
LGA    M     4_A      M     4_A    17.843     0    0.241   0.947    24.312    0.000    0.000
LGA    E     5_A      E     5_A    14.239     0    0.076   1.383    15.276    0.000    0.000
LGA    Q     6_A      Q     6_A    17.100     0    0.020   0.749    24.337    0.000    0.000
LGA    L     7_A      L     7_A    19.634     0    0.010   0.168    24.635    0.000    0.000
LGA    E     8_A      E     8_A    16.317     0    0.060   1.444    17.088    0.000    0.000
LGA    G     9_A      G     9_A    14.340     0    0.033   0.033    15.500    0.000    0.000
LGA    I    10_A      I    10_A    18.661     0    0.011   0.076    23.163    0.000    0.000
LGA    M    11_A      M    11_A    19.761     0    0.025   0.808    24.356    0.000    0.000
LGA    L    12_A      L    12_A    15.733     0    0.011   0.142    16.980    0.000    0.000
LGA    S    13_A      S    13_A    14.838     0    0.121   0.562    17.815    0.000    0.000
LGA    P    14_A      P    14_A    15.721     0    0.026   0.054    19.035    0.000    0.000
LGA    A    15_A      A    15_A    19.926     0    0.019   0.024    23.585    0.000    0.000
LGA    F    16_A      F    16_A    23.191     0    0.049   1.413    28.624    0.000    0.000
LGA    Q    17_A      Q    17_A    23.539     0    0.021   0.697    26.689    0.000    0.000
LGA    E    18_A      E    18_A    24.885     0    0.013   1.068    28.942    0.000    0.000
LGA    Q    19_A      Q    19_A    29.720     0    0.028   0.237    33.371    0.000    0.000
LGA    M    20_A      M    20_A    32.218     0    0.005   0.277    35.206    0.000    0.000
LGA    N    21_A      N    21_A    32.433     0    0.056   0.747    36.270    0.000    0.000
LGA    A    22_A      A    22_A    35.419     0    0.002   0.011    39.766    0.000    0.000
LGA    L    23_A      L    23_A    39.762     0    0.078   1.009    43.503    0.000    0.000
LGA    M    24_A      M    24_A    42.002     0    0.143   0.845    44.991    0.000    0.000
LGA    L    25_A      L    25_A    42.585     0    0.050   1.324    46.772    0.000    0.000
LGA    D    26_A      D    26_A    48.077     0    0.083   0.244    52.615    0.000    0.000
LGA    P    27_A      P    27_A    53.075     0    0.089   0.367    55.475    0.000    0.000
LGA    R    28_A      R    28_A    56.509     0    0.084   1.199    59.111    0.000    0.000
LGA    M    29_A      M    29_A    50.981     0    0.101   1.183    52.503    0.000    0.000
LGA    L    30_A      L    30_A    50.565     0    0.089   0.847    53.490    0.000    0.000
LGA    D    31_A      D    31_A    58.133     0    0.012   0.128    61.909    0.000    0.000
LGA    M    32_A      M    32_A    58.264     0    0.029   0.757    58.270    0.000    0.000
LGA    M    33_A      M    33_A    52.904     0    0.018   0.378    54.443    0.000    0.000
LGA    I    34_A      I    34_A    56.585     0    0.022   0.615    59.655    0.000    0.000
LGA    D    35_A      D    35_A    62.993     0    0.106   0.174    67.076    0.000    0.000
LGA    Q    36_A      Q    36_A    60.093     0    0.080   0.948    60.452    0.000    0.000
LGA    N    37_A      N    37_A    57.620     0    0.079   0.987    59.991    0.000    0.000
LGA    P    38_A      P    38_A    63.209     0    0.045   0.059    63.997    0.000    0.000
LGA    Q    39_A      Q    39_A    59.214     0    0.011   0.722    59.976    0.000    0.000
LGA    L    40_A      L    40_A    58.613     0    0.132   0.251    61.691    0.000    0.000
LGA    R    41_A      R    41_A    64.698     0    0.085   1.266    69.824    0.000    0.000
LGA    N    42_A      N    42_A    68.402     0    0.065   1.086    72.144    0.000    0.000
LGA    M    43_A      M    43_A    64.322     0    0.070   0.922    66.682    0.000    0.000
LGA    G    44_A      G    44_A    68.940     0    0.076   0.076    68.940    0.000    0.000
LGA    P    45_A      P    45_A    68.211     0    0.039   0.272    72.936    0.000    0.000
LGA    E    46_A      E    46_A    66.728     0    0.010   1.126    71.526    0.000    0.000
LGA    A    47_A      A    47_A    60.524     0    0.016   0.025    63.227    0.000    0.000
LGA    R    48_A      R    48_A    58.391     0    0.025   1.192    66.144    0.000    0.000
LGA    Q    49_A      Q    49_A    59.109     0    0.044   1.211    65.125    0.000    0.000
LGA    M    50_A      M    50_A    54.832     0    0.232   0.796    58.600    0.000    0.000
LGA    L    51_A      L    51_A    49.142     0    0.061   0.182    51.700    0.000    0.000
LGA    R    52_A      R    52_A    47.707     0    0.065   0.766    55.650    0.000    0.000
LGA    P    53_A      P    53_A    47.286     0    0.066   0.329    51.555    0.000    0.000
LGA    M    54_A      M    54_A    43.300     0    0.093   1.093    49.066    0.000    0.000
LGA    F    55_A      F    55_A    38.480     0    0.007   1.481    40.760    0.000    0.000
LGA    R    56_A      R    56_A    38.637     0    0.028   1.327    49.032    0.000    0.000
LGA    E    57_A      E    57_A    38.237     0    0.046   0.547    42.730    0.000    0.000
LGA    M    58_A      M    58_A    32.192     0    0.041   1.059    34.745    0.000    0.000
LGA    M    59_A      M    59_A    29.047     0    0.008   0.123    30.834    0.000    0.000
LGA    S    60_A      S    60_A    31.344     0    0.053   0.723    36.051    0.000    0.000
LGA    N    61_A      N    61_A    28.532     0    0.262   1.216    32.331    0.000    0.000
LGA    P    62_A      P    62_A    23.956     0    0.365   0.372    25.165    0.000    0.000
LGA    E    63_A      E    63_A    23.348     0    0.017   1.145    27.084    0.000    0.000
LGA    S    64_A      S    64_A    24.751     0    0.056   0.622    26.782    0.000    0.000
LGA    M    65_A      M    65_A    21.147     0    0.014   0.860    23.823    0.000    0.000
LGA    R    66_A      R    66_A    16.140     0    0.007   0.504    18.574    0.000    0.000
LGA    S    67_A      S    67_A    18.269     0    0.033   0.183    21.668    0.000    0.000
LGA    M    68_A      M    68_A    18.175     0    0.020   1.037    26.014    0.000    0.000
LGA    M    69_A      M    69_A    12.696     0    0.062   0.879    14.811    0.119    0.417
LGA    N    70_A      N    70_A    10.239     0    0.023   1.121    11.341    0.119    0.119
LGA    M    71_A      M    71_A    13.530     0    0.027   0.170    19.338    0.000    0.000
LGA    G    72_A      G    72_A    11.336     0    0.024   0.024    12.083    1.905    1.905
LGA    R    73_A      R    73_A     5.060     0    0.040   0.890     7.440   29.405   34.459
LGA    A    74_A      A    74_A     7.544     0    0.019   0.019    10.076   10.119    8.095
LGA    W    75_A      W    75_A     8.573     0    0.026   0.814    20.993    7.738    2.211
LGA    G    76_A      G    76_A     4.972     0    0.197   0.197     5.215   36.190   36.190
LGA    S    77_A      S    77_A     1.280     0    0.613   0.627     5.038   88.214   70.397
LGA    K    78_A      K    78_A     0.292     0    0.068   0.820     1.822   92.976   85.661
LGA    K    79_A      K    79_A     0.317     0    0.081   0.904     1.618  100.000   88.783
LGA    I    80_A      I    80_A     0.322     0    0.055   0.089     0.394  100.000  100.000
LGA    L    81_A      L    81_A     0.255     0    0.016   0.051     0.431  100.000  100.000
LGA    I    82_A      I    82_A     0.257     0    0.016   0.089     0.353  100.000  100.000
LGA    V    83_A      V    83_A     0.411     0    0.037   0.047     0.578  100.000   98.639
LGA    E    84_A      E    84_A     0.507     0    0.101   0.200     0.877   92.857   91.534
LGA    S    85_A      S    85_A     0.833     0    0.064   0.647     1.280   90.476   87.460
LGA    D    86_A      D    86_A     0.774     0    0.037   0.166     1.178   90.476   89.345
LGA    T    87_A      T    87_A     0.945     0    0.017   1.006     2.872   88.214   81.837
LGA    A    88_A      A    88_A     1.259     0    0.007   0.009     1.532   81.429   79.714
LGA    L    89_A      L    89_A     0.857     0    0.017   1.410     3.047   90.476   79.048
LGA    S    90_A      S    90_A     0.264     0    0.053   0.055     0.436  100.000  100.000
LGA    A    91_A      A    91_A     0.551     0    0.007   0.011     0.835   97.619   96.190
LGA    T    92_A      T    92_A     0.623     0    0.037   0.092     1.174   95.238   91.905
LGA    L    93_A      L    93_A     0.377     0    0.018   0.086     0.997  100.000   96.429
LGA    R    94_A      R    94_A     0.321     0    0.046   0.181     0.937  100.000   94.805
LGA    S    95_A      S    95_A     0.493     0    0.041   0.100     1.073   97.619   93.730
LGA    A    96_A      A    96_A     0.363     0    0.015   0.025     0.662   95.238   96.190
LGA    L    97_A      L    97_A     0.626     0    0.019   0.101     0.907   90.476   94.048
LGA    E    98_A      E    98_A     0.956     0    0.029   0.134     1.270   85.952   83.439
LGA    G    99_A      G    99_A     1.444     0    0.096   0.096     2.121   75.119   75.119
LGA    R   100_A      R   100_A     1.369     0    0.069   1.522     8.217   81.429   54.156
LGA    G   101_A      G   101_A     1.330     0    0.019   0.019     1.340   81.429   81.429
LGA    F   102_A      F   102_A     0.771     0    0.039   0.119     0.924   90.476   90.476
LGA    T   103_A      T   103_A     0.768     0    0.043   0.051     1.101   90.476   89.184
LGA    V   104_A      V   104_A     0.475     0    0.047   0.089     0.655   92.857   94.558
LGA    D   105_A      D   105_A     0.476     0    0.021   0.309     1.254  100.000   95.298
LGA    E   106_A      E   106_A     0.647     0    0.032   0.641     2.093   90.476   82.698
LGA    T   107_A      T   107_A     0.661     0    0.057   0.075     0.712   90.476   90.476
LGA    T   108_A      T   108_A     1.096     0    0.066   0.237     1.395   85.952   84.014
LGA    D   109_A      D   109_A     0.867     0    0.095   0.151     1.287   85.952   83.690
LGA    G   110_A      G   110_A     1.161     0    0.131   0.131     2.073   79.524   79.524
LGA    K   111_A      K   111_A     0.822     0    0.061   0.715     2.481   90.476   79.048
LGA    G   112_A      G   112_A     0.746     0    0.035   0.035     0.839   90.476   90.476
LGA    S   113_A      S   113_A     0.550     0    0.022   0.647     2.413   90.476   86.190
LGA    V   114_A      V   114_A     0.430     0    0.027   0.058     0.608  100.000   97.279
LGA    E   115_A      E   115_A     0.699     0    0.058   1.046     5.348   90.476   67.143
LGA    Q   116_A      Q   116_A     0.619     0    0.025   0.807     3.485   92.857   79.365
LGA    I   117_A      I   117_A     0.411     0    0.023   0.105     0.510  100.000   98.810
LGA    R   118_A      R   118_A     0.498     0    0.015   0.999     4.002  100.000   87.489
LGA    R   119_A      R   119_A     0.461     0    0.061   1.374     6.034   95.238   74.545
LGA    D   120_A      D   120_A     0.544     0    0.071   0.130     1.323   95.238   89.464
LGA    R   121_A      R   121_A     0.281     0    0.029   0.498     2.884  100.000   85.584
LGA    P   122_A      P   122_A     0.225     0    0.021   0.042     0.680  100.000   98.639
LGA    D   123_A      D   123_A     0.243     0    0.046   0.073     0.417  100.000  100.000
LGA    L   124_A      L   124_A     0.213     0    0.050   0.644     1.430  100.000   95.357
LGA    V   125_A      V   125_A     0.524     0    0.015   0.035     0.633   90.476   90.476
LGA    V   126_A      V   126_A     0.661     0    0.016   0.021     0.864   92.857   91.837
LGA    L   127_A      L   127_A     0.310     0    0.055   1.333     3.333   97.619   83.571
LGA    A   128_A      A   128_A     0.257     0    0.024   0.036     0.547   97.619   98.095
LGA    V   129_A      V   129_A     0.664     0    0.589   0.641     3.357   80.476   84.762
LGA    D   130_A      D   130_A     1.375     0    0.271   0.328     2.434   77.262   72.024
LGA    L   131_A      L   131_A     0.781     0    0.072   0.147     0.923   90.476   91.667
LGA    S   132_A      S   132_A     1.389     0    0.640   0.571     2.336   79.524   74.603
LGA    A   133_A      A   133_A     2.663     0    0.085   0.081     3.210   57.262   55.810
LGA    G   134_A      G   134_A     2.269     0    0.672   0.672     3.216   63.095   63.095
LGA    Q   135_A      Q   135_A     2.305     0    0.227   0.478     4.230   66.786   53.915
LGA    N   136_A      N   136_A     0.832     0    0.137   0.433     2.042   88.214   86.131
LGA    G   137_A      G   137_A     0.730     0    0.057   0.057     0.786   90.476   90.476
LGA    Y   138_A      Y   138_A     0.947     0    0.029   1.382    10.325   85.952   47.421
LGA    L   139_A      L   139_A     1.270     0    0.033   0.065     1.745   81.429   80.357
LGA    I   140_A      I   140_A     1.125     0    0.021   0.043     1.189   81.429   81.429
LGA    C   141_A      C   141_A     0.980     0    0.063   0.088     1.095   83.690   85.952
LGA    G   142_A      G   142_A     1.077     0    0.094   0.094     1.410   81.429   81.429
LGA    K   143_A      K   143_A     1.154     0    0.020   0.323     1.635   81.429   80.529
LGA    L   144_A      L   144_A     0.970     0    0.027   0.090     1.208   85.952   88.214
LGA    K   145_A      K   145_A     0.967     0    0.059   0.207     1.450   85.952   86.455
LGA    K   146_A      K   146_A     1.275     0    0.080   0.614     1.630   79.286   79.524
LGA    D   147_A      D   147_A     1.238     0    0.085   0.180     1.475   81.429   81.429
LGA    D   148_A      D   148_A     1.365     0    0.057   0.739     3.040   81.429   73.274
LGA    D   149_A      D   149_A     1.397     0    0.118   0.355     2.386   81.429   77.202
LGA    L   150_A      L   150_A     1.006     0    0.061   1.094     3.002   83.690   78.810
LGA    K   151_A      K   151_A     0.957     0    0.037   0.753     3.714   85.952   75.979
LGA    N   152_A      N   152_A     1.143     0    0.022   0.101     1.752   83.690   79.345
LGA    V   153_A      V   153_A     0.929     0    0.029   0.039     1.357   90.476   86.599
LGA    P   154_A      P   154_A     0.494     0    0.055   0.091     0.595   97.619   95.918
LGA    I   155_A      I   155_A     0.641     0    0.057   0.237     1.003   90.476   89.345
LGA    V   156_A      V   156_A     0.243     0    0.072   0.083     0.633   97.619   98.639
LGA    I   157_A      I   157_A     0.391     0    0.019   0.543     1.811  100.000   93.095
LGA    I   158_A      I   158_A     0.205     0    0.091   1.117     2.485   97.619   85.595
LGA    G   159_A      G   159_A     0.732     0    0.070   0.070     0.781   90.476   90.476
LGA    N   160_A      N   160_A     0.930     0    0.031   0.493     2.146   88.214   83.869
LGA    P   161_A      P   161_A     1.114     0    0.168   0.398     1.408   90.595   89.252
LGA    D   162_A      D   162_A     0.453     0    0.044   1.370     4.462   88.452   76.369
LGA    G   163_A      G   163_A     2.299     0    0.240   0.240     2.299   72.976   72.976
LGA    F   164_A      F   164_A     1.301     0    0.052   0.149     1.759   79.286   83.939
LGA    A   165_A      A   165_A     2.444     0    0.020   0.020     3.006   60.952   58.762
LGA    Q   166_A      Q   166_A     3.133     0    0.078   0.742     6.057   59.167   42.328
LGA    H   167_A      H   167_A     1.480     0    0.053   1.380     4.867   81.548   63.429
LGA    R   168_A      R   168_A     1.726     0    0.058   1.011     4.109   65.357   65.584
LGA    K   169_A      K   169_A     3.663     0    0.075   0.543     6.763   45.238   38.783
LGA    L   170_A      L   170_A     3.364     0    0.065   0.126     3.453   50.000   50.000
LGA    K   171_A      K   171_A     3.566     0    0.043   0.197     5.589   50.238   40.635
LGA    A   172_A      A   172_A     1.914     0    0.240   0.268     2.600   69.048   68.190
LGA    H   173_A      H   173_A     0.556     0    0.091   1.228     5.118   95.238   71.476
LGA    A   174_A      A   174_A     0.606     0    0.048   0.055     0.646   90.476   90.476
LGA    D   175_A      D   175_A     0.590     0    0.033   0.163     0.744   90.476   90.476
LGA    E   176_A      E   176_A     0.651     0    0.054   0.524     1.441   90.476   88.466
LGA    Y   177_A      Y   177_A     0.738     0    0.061   0.069     0.786   90.476   90.476
LGA    V   178_A      V   178_A     0.559     0    0.028   0.043     0.652   92.857   95.918
LGA    A   179_A      A   179_A     0.486     0    0.019   0.020     0.531   97.619   98.095
LGA    K   180_A      K   180_A     0.428     0    0.020   0.349     0.830   95.238   93.651
LGA    P   181_A      P   181_A     0.213     0    0.081   0.368     0.876  100.000   98.639
LGA    V   182_A      V   182_A     0.226     0    0.063   0.085     0.463  100.000  100.000
LGA    D   183_A      D   183_A     0.354     0    0.035   0.387     2.304   97.619   87.500
LGA    A   184_A      A   184_A     0.263     0    0.055   0.063     0.562   97.619   98.095
LGA    D   185_A      D   185_A     0.312     0    0.094   0.823     4.539   97.619   75.714
LGA    Q   186_A      Q   186_A     0.548     0    0.031   1.343     4.216   95.238   78.148
LGA    L   187_A      L   187_A     0.297     0    0.055   1.230     2.626  100.000   90.238
LGA    V   188_A      V   188_A     0.675     0    0.030   0.128     1.333   92.857   90.544
LGA    E   189_A      E   189_A     0.671     0    0.052   0.966     3.589   90.476   74.974
LGA    R   190_A      R   190_A     0.462     0    0.020   1.794     6.226   95.238   70.130
LGA    A   191_A      A   191_A     0.892     0    0.012   0.014     1.366   85.952   86.857
LGA    G   192_A      G   192_A     1.280     0    0.149   0.149     2.026   77.262   77.262
LGA    A   193_A      A   193_A     1.012     0    0.016   0.018     1.012   88.214   88.667
LGA    L   194_A      L   194_A     0.643     0    0.161   0.200     1.448   88.214   92.917
LGA    I   195_A      I   195_A     0.869     0    0.711   0.915     3.649   74.286   79.405
LGA    G   196_A      G   196_A     2.996     0    0.680   0.680     5.194   49.524   49.524
LGA    F   197_A      F   197_A     3.338     0    0.009   1.056     7.999   35.476   31.818
LGA    P   198_A      P   198_A     9.499     0    0.626   0.739    10.805    2.857    3.265
LGA    E   199_A      E   199_A    12.239     0    0.076   0.990    14.805    0.000    0.000
LGA    G   200_A      G   200_A    10.002     0    0.115   0.115    12.437    0.119    0.119
LGA    N   201_A      N   201_A    11.796     0    0.195   1.209    15.320    0.000    0.000
LGA    S   202_A      S   202_A    17.056     0    0.049   0.682    19.747    0.000    0.000
LGA    M   203_A      M   203_A    18.386     0    0.008   0.663    21.512    0.000    0.000
LGA    M   204_A      M   204_A    18.069     0    0.034   1.180    21.502    0.000    0.000
LGA    I   205_A      I   205_A    20.855     0    0.018   0.125    24.805    0.000    0.000
LGA    A   206_A      A   206_A    25.260     0    0.019   0.027    28.544    0.000    0.000
LGA    L   207_A      L   207_A    26.647     0    0.010   1.440    29.681    0.000    0.000
LGA    G   208_A      G   208_A    27.076     0    0.029   0.029    30.635    0.000    0.000
LGA    V   209_A      V   209_A    30.369     0    0.026   0.064    34.474    0.000    0.000
LGA    A   210_A      A   210_A    34.344     0    0.023   0.026    37.766    0.000    0.000
LGA    C   211_A      C   211_A    35.655     0    0.022   0.080    39.177    0.000    0.000
LGA    A   212_A      A   212_A    36.989     0    0.010   0.010    41.087    0.000    0.000
LGA    I   213_A      I   213_A    41.310     0    0.026   0.102    45.452    0.000    0.000
LGA    A   214_A      A   214_A    44.468     0    0.014   0.021    48.144    0.000    0.000
LGA    L   215_A      L   215_A    45.787     0    0.029   0.075    49.507    0.000    0.000
LGA    A   216_A      A   216_A    47.994     0    0.019   0.019    52.414    0.000    0.000
LGA    I   217_A      I   217_A    52.655     0    0.013   0.070    56.592    0.000    0.000
LGA    A   218_A      A   218_A    54.899     0    0.014   0.020    58.560    0.000    0.000
LGA    A   219_A      A   219_A    55.964     0    0.006   0.006    60.011    0.000    0.000
LGA    V   220_A      V   220_A    60.137     0    0.080   0.136    64.419    0.000    0.000
LGA    Y   221_A      Y   221_A    63.989     0    0.015   1.369    67.133    0.000    0.000
LGA    F   222_A      F   222_A    64.998     0    0.467   1.406    65.632    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):    16.301         16.288                 16.682           47.952   45.464

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    122    1.27    52.590    49.866     8.891

LGA_LOCAL      RMSD:   1.272  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.091  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  16.301  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.224853 * X  +  -0.256411 * Y  +  -0.940050 * Z  +  14.368076
  Y_new =   0.973396 * X  +  -0.015471 * Y  +  -0.228608 * Z  +  14.143003
  Z_new =   0.044074 * X  +  -0.966444 * Y  +   0.253068 * Z  +  16.006857 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.797812 -0.044088 -1.314692   [DEG:  103.0071   -2.5261  -75.3263 ]
ZXZ: -1.332240  1.314946  3.096020   [DEG:  -76.3317   75.3409  177.3889 ]
 
# END of job
