
#######################################################
#                                                     #
#                        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       4.96    23.70
  LCS_AVERAGE:     51.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      72_A - 198_A       1.99    26.47
  LONGEST_CONTINUOUS_SEGMENT:   127      73_A - 199_A       1.98    26.70
  LCS_AVERAGE:     38.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      77_A - 195_A       0.99    27.04
  LCS_AVERAGE:     32.19

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   22   38      0    3    3    3    5    8   23   25   29   35   48   58   82  115  123  130  137  139  142  148 
LCS_GDT     P     2_A     P     2_A      3   23   38      3    3    3    3    4    6   29   33   33   35   37   40   41   75   84   91  137  139  140  145 
LCS_GDT     H     3_A     H     3_A     11   24   38      3    3    4   10   16   20   23   25   29   35   36   38   69   93   98  104  137  139  142  148 
LCS_GDT     M     4_A     M     4_A     17   24   56      9   13   16   18   20   23   25   33   33   39   63   76   82   93  101  130  137  139  142  148 
LCS_GDT     E     5_A     E     5_A     17   25   56      9   13   16   19   20   24   29   33   33   35   44   49  106  115  123  130  137  139  142  148 
LCS_GDT     Q     6_A     Q     6_A     17   25   57      9   13   16   19   21   25   29   33   33   35   37   42   46   54   58  112  137  139  140  142 
LCS_GDT     L     7_A     L     7_A     17   25   57      9   13   16   19   21   26   29   33   33   39   50   76   82   93   99  130  137  139  142  148 
LCS_GDT     E     8_A     E     8_A     17   25   57      9   13   16   19   24   26   29   33   33   35   38   76   82   97  123  130  137  139  142  148 
LCS_GDT     G     9_A     G     9_A     17   25   57      9   13   16   20   24   27   29   33   33   37   40   43   47  115  123  130  137  139  142  148 
LCS_GDT     I    10_A     I    10_A     17   25   57      9   13   16   20   24   27   29   33   36   38   42   50  106  115  123  130  137  139  142  148 
LCS_GDT     M    11_A     M    11_A     17   25   59      9   13   16   20   24   27   29   34   39   43   46   76   87   97  109  123  132  139  142  148 
LCS_GDT     L    12_A     L    12_A     17   25   59      9   13   18   22   24   27   32   36   39   43   47   51   53   57   61   67   75  114  135  148 
LCS_GDT     S    13_A     S    13_A     17   25   63      6   14   18   22   24   27   29   36   39   42   46   50   53   57  123  130  137  139  141  148 
LCS_GDT     P    14_A     P    14_A     17   25   64      6   14   18   22   24   27   29   36   39   43   48   51   54   59   64  130  137  139  141  148 
LCS_GDT     A    15_A     A    15_A     17   25   64      4   14   18   22   24   27   29   36   39   43   48   52  106  115  123  130  137  139  140  148 
LCS_GDT     F    16_A     F    16_A     17   25   64      7   14   18   22   24   27   34   36   41   46   51   76   82   93   98  115  137  139  142  148 
LCS_GDT     Q    17_A     Q    17_A     17   25   64      7   14   18   22   24   29   34   39   44   47   52   60   64   69   98  110  125  137  142  148 
LCS_GDT     E    18_A     E    18_A     17   25   64      7   14   18   22   24   29   34   39   44   49   56   76   82   93  103  119  128  137  142  148 
LCS_GDT     Q    19_A     Q    19_A     17   25   64      7   14   18   22   24   29   35   40   48   56   61   63   69   77   84  104  112  116  125  131 
LCS_GDT     M    20_A     M    20_A     17   25   64      7   14   18   22   27   31   40   43   53   59   61   63   69   77   84   90   96  108  126  131 
LCS_GDT     N    21_A     N    21_A     17   25   64      7   14   18   22   27   31   40   43   53   59   61   63   67   69   84   90  106  115  126  136 
LCS_GDT     A    22_A     A    22_A     17   25   64      7   14   18   22   27   31   40   46   53   59   61   63   69   77   84   90   96  106  125  131 
LCS_GDT     L    23_A     L    23_A     17   29   64      7   13   18   22   27   34   40   46   53   59   61   63   67   69   72   75   79   92   99  114 
LCS_GDT     M    24_A     M    24_A     17   31   64      7   10   18   22   27   34   40   46   53   59   61   63   67   69   72   75   76   86   95  104 
LCS_GDT     L    25_A     L    25_A     17   31   64      7   14   18   22   27   34   40   46   53   59   61   63   67   69   72   75   80   89   98  107 
LCS_GDT     D    26_A     D    26_A     17   31   64      4   14   18   22   27   34   40   46   53   59   61   63   67   69   72   75   76   81   88   96 
LCS_GDT     P    27_A     P    27_A     17   31   64      5   14   20   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     R    28_A     R    28_A     17   31   64      6   10   18   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    29_A     M    29_A     13   31   64      4   11   15   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     L    30_A     L    30_A     13   31   64      6   11   16   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     D    31_A     D    31_A     13   31   64      6   11   15   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    32_A     M    32_A     13   31   64      6   11   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    33_A     M    33_A     13   31   64      6   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     I    34_A     I    34_A     13   31   64      6   10   15   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     D    35_A     D    35_A     13   31   64      5   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     Q    36_A     Q    36_A     13   31   64      5   11   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     N    37_A     N    37_A     13   31   64      5   11   15   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     P    38_A     P    38_A     13   31   64      5   11   15   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     Q    39_A     Q    39_A     13   31   64      5   10   15   21   27   33   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     L    40_A     L    40_A     13   31   64      5   11   15   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     R    41_A     R    41_A     13   31   64      5   11   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     N    42_A     N    42_A     11   31   64      4   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    43_A     M    43_A     11   31   64      4   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     G    44_A     G    44_A     11   31   64      7   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     P    45_A     P    45_A     11   31   64      7   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     E    46_A     E    46_A     11   31   64      7   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     A    47_A     A    47_A     11   31   64      7   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     R    48_A     R    48_A     11   31   64      7   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     Q    49_A     Q    49_A     13   31   64      7   10   16   21   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    50_A     M    50_A     13   31   64      7   10   16   20   27   34   40   44   53   59   61   63   67   69   72   75   76   79   83   87 
LCS_GDT     L    51_A     L    51_A     13   31   64      7   11   12   17   27   32   40   43   52   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     R    52_A     R    52_A     13   31   64      9   11   12   17   24   30   40   43   52   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     P    53_A     P    53_A     13   31   64      9   11   13   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    54_A     M    54_A     13   31   64      9   14   18   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     F    55_A     F    55_A     13   30   64      9   14   18   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     R    56_A     R    56_A     13   28   64      9   11   12   17   24   33   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     E    57_A     E    57_A     13   22   64      9   11   15   18   25   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    58_A     M    58_A     13   22   64      9   11   13   20   26   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     M    59_A     M    59_A     13   22   64      9   11   12   17   21   28   38   46   53   59   61   63   67   69   75   85   93  108  116  128 
LCS_GDT     S    60_A     S    60_A     13   22   64      9   11   12   17   21   27   34   42   53   59   61   63   67   69   72   75   76   87  100  110 
LCS_GDT     N    61_A     N    61_A     13   22  143      5   11   12   17   23   31   40   46   53   59   61   63   67   69   72   75   76   89  100  112 
LCS_GDT     P    62_A     P    62_A     14   22  144      7   12   14   15   21   29   36   44   52   59   65   75   86   96  107  118  128  138  142  142 
LCS_GDT     E    63_A     E    63_A     14   22  144      7   12   14   15   16   21   24   27   30   35   52   59   65   77   96  112  122  133  142  142 
LCS_GDT     S    64_A     S    64_A     14   22  144      7   12   14   15   16   20   24   27   30   33   52   61   66   68   79   90  103  113  124  138 
LCS_GDT     M    65_A     M    65_A     14   22  144      7   12   14   17   25   33   40   46   53   59   67   78   90   99  114  126  130  138  142  146 
LCS_GDT     R    66_A     R    66_A     14   22  144      7   12   14   17   25   33   46   63   79   92  106  121  128  132  132  134  137  138  142  147 
LCS_GDT     S    67_A     S    67_A     14   22  144      8   12   14   17   21   24   28   30   46   57   70   86  100  113  123  134  137  138  142  142 
LCS_GDT     M    68_A     M    68_A     14   22  144      8   12   14   17   21   30   36   46   53   62   73   86   96  110  122  128  137  138  142  147 
LCS_GDT     M    69_A     M    69_A     14   22  144      8   12   15   21   31   51   65   80   96  111  123  127  130  132  132  134  137  139  142  148 
LCS_GDT     N    70_A     N    70_A     14   22  144      8   12   14   24   45   66   85  108  120  126  127  127  130  132  132  134  137  138  142  148 
LCS_GDT     M    71_A     M    71_A     14   22  144      8   12   14   17   21   30   40   59   78   92  106  121  130  132  132  134  137  138  142  148 
LCS_GDT     G    72_A     G    72_A     14  127  144      8   12   14   15   30   46   65   76   95  111  123  127  130  132  132  134  137  139  142  148 
LCS_GDT     R    73_A     R    73_A     14  127  144      8   12   14   70  101  116  120  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A    74_A     A    74_A     14  127  144      8   12   32   52   79  106  120  123  123  126  127  127  130  132  132  134  137  138  142  148 
LCS_GDT     W    75_A     W    75_A     14  127  144      6   11   14   30   53   75   99  118  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G    76_A     G    76_A     90  127  144      3    4    5   48   77  101  119  121  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     S    77_A     S    77_A    119  127  144     49   99  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K    78_A     K    78_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K    79_A     K    79_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I    80_A     I    80_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L    81_A     L    81_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I    82_A     I    82_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V    83_A     V    83_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     E    84_A     E    84_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     S    85_A     S    85_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D    86_A     D    86_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     T    87_A     T    87_A    119  127  144     38  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A    88_A     A    88_A    119  127  144     29  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L    89_A     L    89_A    119  127  144     61  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     S    90_A     S    90_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A    91_A     A    91_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     T    92_A     T    92_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L    93_A     L    93_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     R    94_A     R    94_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     S    95_A     S    95_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A    96_A     A    96_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L    97_A     L    97_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     E    98_A     E    98_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G    99_A     G    99_A    119  127  144     34   96  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     R   100_A     R   100_A    119  127  144     53  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   101_A     G   101_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     F   102_A     F   102_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     T   103_A     T   103_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   104_A     V   104_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   105_A     D   105_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     E   106_A     E   106_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     T   107_A     T   107_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     T   108_A     T   108_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   109_A     D   109_A    119  127  144     50  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   110_A     G   110_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   111_A     K   111_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   112_A     G   112_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     S   113_A     S   113_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   114_A     V   114_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     E   115_A     E   115_A    119  127  144     47  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     Q   116_A     Q   116_A    119  127  144     53  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I   117_A     I   117_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     R   118_A     R   118_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     R   119_A     R   119_A    119  127  144     62  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   120_A     D   120_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     R   121_A     R   121_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     P   122_A     P   122_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   123_A     D   123_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   124_A     L   124_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   125_A     V   125_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   126_A     V   126_A    119  127  144     60  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   127_A     L   127_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   128_A     A   128_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   129_A     V   129_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   130_A     D   130_A    119  127  144     62  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   131_A     L   131_A    119  127  144     58  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     S   132_A     S   132_A    119  127  144     26  100  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   133_A     A   133_A    119  127  144      3    3   87  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   134_A     G   134_A    119  127  144     13   56  105  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     Q   135_A     Q   135_A    119  127  144      4   72  106  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     N   136_A     N   136_A    119  127  144     58  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   137_A     G   137_A    119  127  144     61  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     Y   138_A     Y   138_A    119  127  144     35  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   139_A     L   139_A    119  127  144     23  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I   140_A     I   140_A    119  127  144     23  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     C   141_A     C   141_A    119  127  144     54  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   142_A     G   142_A    119  127  144     52  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   143_A     K   143_A    119  127  144     48  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   144_A     L   144_A    119  127  144     49  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   145_A     K   145_A    119  127  144     54  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   146_A     K   146_A    119  127  144     48  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   147_A     D   147_A    119  127  144     33  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   148_A     D   148_A    119  127  144     33  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   149_A     D   149_A    119  127  144     33  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   150_A     L   150_A    119  127  144     35  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   151_A     K   151_A    119  127  144     52  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     N   152_A     N   152_A    119  127  144     52  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   153_A     V   153_A    119  127  144     49  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     P   154_A     P   154_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I   155_A     I   155_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   156_A     V   156_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I   157_A     I   157_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I   158_A     I   158_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   159_A     G   159_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     N   160_A     N   160_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     P   161_A     P   161_A    119  127  144     29  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   162_A     D   162_A    119  127  144     48  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   163_A     G   163_A    119  127  144      3   20  101  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     F   164_A     F   164_A    119  127  144      5   78  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   165_A     A   165_A    119  127  144      6   53  101  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     Q   166_A     Q   166_A    119  127  144      5   24   64  113  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     H   167_A     H   167_A    119  127  144      5   72  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     R   168_A     R   168_A    119  127  144     36   96  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   169_A     K   169_A    119  127  144      3   44   82  113  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   170_A     L   170_A    119  127  144      6   63   96  113  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   171_A     K   171_A    119  127  144      3   18   70  112  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   172_A     A   172_A    119  127  144      3   10   24   42  118  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     H   173_A     H   173_A    119  127  144     37  100  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   174_A     A   174_A    119  127  144     61  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   175_A     D   175_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     E   176_A     E   176_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     Y   177_A     Y   177_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   178_A     V   178_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   179_A     A   179_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     K   180_A     K   180_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     P   181_A     P   181_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   182_A     V   182_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   183_A     D   183_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   184_A     A   184_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     D   185_A     D   185_A    119  127  144     61  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     Q   186_A     Q   186_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   187_A     L   187_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     V   188_A     V   188_A    119  127  144     48  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     E   189_A     E   189_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     R   190_A     R   190_A    119  127  144     63  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   191_A     A   191_A    119  127  144     16  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   192_A     G   192_A    119  127  144      9   86  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     A   193_A     A   193_A    119  127  144     24  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     L   194_A     L   194_A    119  127  144     48  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     I   195_A     I   195_A    119  127  144     60  101  109  114  119  121  121  123  123  126  127  127  130  132  132  134  137  139  142  148 
LCS_GDT     G   196_A     G   196_A     25  127  144      3    5   62  110  119  121  121  123  123  126  127  127  130  132  132  134  137  138  142  148 
LCS_GDT     F   197_A     F   197_A     25  127  144      3    5   61  109  119  121  121  123  123  125  127  127  130  132  132  134  137  138  142  148 
LCS_GDT     P   198_A     P   198_A      4  127  144      3    4    7   13   23   26   43   53   58  120  125  127  128  129  130  134  135  138  142  142 
LCS_GDT     E   199_A     E   199_A      4  127  144      3    4    7   15   21   24   28   29   33   37   42   49   71  120  129  134  137  138  142  142 
LCS_GDT     G   200_A     G   200_A     20  125  144      3    7   15   20   41   66   91  109  120  126  127  127  130  132  132  134  137  138  142  148 
LCS_GDT     N   201_A     N   201_A     22   25  144      4   15   21   22   23   44   64   79   96  110  123  127  130  132  132  134  137  138  142  148 
LCS_GDT     S   202_A     S   202_A     22   25  144      7   16   21   22   23   26   28   33   37   41   58   75   89  102  116  127  137  138  142  142 
LCS_GDT     M   203_A     M   203_A     22   25  144      7   17   21   22   23   26   28   38   57   67   80   89  102  116  123  132  137  138  142  147 
LCS_GDT     M   204_A     M   204_A     22   25  144      8   17   21   22   23   26   28   38   50   63   76   87   99  111  122  128  135  138  142  148 
LCS_GDT     I   205_A     I   205_A     22   25  144      8   17   21   22   23   26   28   33   37   39   47   59   70   81   90   98  112  125  130  139 
LCS_GDT     A   206_A     A   206_A     22   25  143      8   17   21   22   23   26   28   33   37   39   42   46   50   60   71   84   89   96  110  117 
LCS_GDT     L   207_A     L   207_A     22   25  142      7   17   21   22   23   26   28   33   37   39   42   46   50   63   73   81   90   96  108  122 
LCS_GDT     G   208_A     G   208_A     22   25  139      7   14   21   22   23   26   28   33   37   39   42   46   50   59   62   69   78   89   98  105 
LCS_GDT     V   209_A     V   209_A     22   25   32      8   17   21   22   23   26   28   33   37   39   47   56   65   69   72   75   76   79   83   88 
LCS_GDT     A   210_A     A   210_A     22   25   32      8   17   21   22   23   26   28   33   37   39   48   60   67   69   72   75   76   79   83   88 
LCS_GDT     C   211_A     C   211_A     22   25   32      9   17   21   22   23   26   28   33   37   45   57   63   67   69   72   75   76   79   83   88 
LCS_GDT     A   212_A     A   212_A     22   25   32      9   17   21   22   23   26   28   33   43   53   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     I   213_A     I   213_A     22   25   32      9   17   21   22   23   26   29   37   50   57   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     A   214_A     A   214_A     22   25   32      9   17   21   22   23   28   36   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     L   215_A     L   215_A     22   25   32      9   17   21   22   23   28   37   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     A   216_A     A   216_A     22   25   32      9   17   21   22   23   28   37   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     I   217_A     I   217_A     22   25   32      9   17   21   22   24   30   38   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     A   218_A     A   218_A     22   25   32      9   17   21   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   83   88 
LCS_GDT     A   219_A     A   219_A     22   25   32      9   17   21   22   25   33   40   46   53   59   61   63   67   69   72   75   76   79   83   86 
LCS_GDT     V   220_A     V   220_A     22   25   32      7   14   21   22   27   34   40   46   53   59   61   63   67   69   72   75   76   79   82   85 
LCS_GDT     Y   221_A     Y   221_A     22   25   32      8   17   21   22   23   33   40   43   49   56   60   62   66   67   71   75   76   77   81   85 
LCS_GDT     F   222_A     F   222_A     22   25   32      3    6    8   22   23   26   34   42   49   54   59   62   64   67   70   71   75   77   79   83 
LCS_AVERAGE  LCS_A:  40.70  (  32.19   38.25   51.64 )

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     63    101    109    114    119    121    121    123    123    126    127    127    130    132    132    134    137    139    142    148 
GDT PERCENT_AT  28.38  45.50  49.10  51.35  53.60  54.50  54.50  55.41  55.41  56.76  57.21  57.21  58.56  59.46  59.46  60.36  61.71  62.61  63.96  66.67
GDT RMS_LOCAL    0.33   0.53   0.63   0.77   0.97   1.05   1.05   1.33   1.27   1.92   1.94   1.94   2.49   2.88   2.88   3.06   3.81   4.56   4.93   5.15
GDT RMS_ALL_AT  27.14  26.90  26.95  26.93  27.08  27.12  27.12  26.89  26.87  26.33  26.38  26.38  25.78  25.40  25.40  25.49  24.75  23.24  22.73  22.66

# 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    46_A      E    46_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    15.149     0    0.084   0.084    15.149    0.000    0.000
LGA    P     2_A      P     2_A    16.747     0    0.620   0.583    19.263    0.000    0.000
LGA    H     3_A      H     3_A    17.517     0    0.571   1.559    18.129    0.000    0.000
LGA    M     4_A      M     4_A    18.502     0    0.252   0.742    23.137    0.000    0.000
LGA    E     5_A      E     5_A    15.054     0    0.014   1.363    16.551    0.000    0.000
LGA    Q     6_A      Q     6_A    17.183     0    0.008   0.764    24.254    0.000    0.000
LGA    L     7_A      L     7_A    19.592     0    0.011   0.114    24.249    0.000    0.000
LGA    E     8_A      E     8_A    16.902     0    0.059   1.375    17.440    0.000    0.000
LGA    G     9_A      G     9_A    14.612     0    0.019   0.019    15.540    0.000    0.000
LGA    I    10_A      I    10_A    18.388     0    0.014   0.087    22.687    0.000    0.000
LGA    M    11_A      M    11_A    19.784     0    0.038   0.720    25.606    0.000    0.000
LGA    L    12_A      L    12_A    16.275     0    0.159   0.237    17.528    0.000    0.000
LGA    S    13_A      S    13_A    14.776     0    0.131   0.559    17.444    0.000    0.000
LGA    P    14_A      P    14_A    15.439     0    0.034   0.066    18.261    0.000    0.000
LGA    A    15_A      A    15_A    19.073     0    0.018   0.021    22.542    0.000    0.000
LGA    F    16_A      F    16_A    22.328     0    0.049   1.417    28.048    0.000    0.000
LGA    Q    17_A      Q    17_A    22.814     0    0.018   0.370    25.830    0.000    0.000
LGA    E    18_A      E    18_A    23.844     0    0.014   1.062    27.824    0.000    0.000
LGA    Q    19_A      Q    19_A    28.671     0    0.014   0.239    32.393    0.000    0.000
LGA    M    20_A      M    20_A    31.285     0    0.006   0.286    34.357    0.000    0.000
LGA    N    21_A      N    21_A    31.523     0    0.050   0.720    35.373    0.000    0.000
LGA    A    22_A      A    22_A    34.530     0    0.015   0.018    38.935    0.000    0.000
LGA    L    23_A      L    23_A    38.935     0    0.095   0.331    42.638    0.000    0.000
LGA    M    24_A      M    24_A    41.086     0    0.133   0.811    43.972    0.000    0.000
LGA    L    25_A      L    25_A    41.654     0    0.213   1.357    45.407    0.000    0.000
LGA    D    26_A      D    26_A    47.462     0    0.099   0.428    51.923    0.000    0.000
LGA    P    27_A      P    27_A    52.467     0    0.133   0.417    54.827    0.000    0.000
LGA    R    28_A      R    28_A    55.908     0    0.015   1.332    58.308    0.000    0.000
LGA    M    29_A      M    29_A    50.567     0    0.103   1.178    52.026    0.000    0.000
LGA    L    30_A      L    30_A    49.985     0    0.059   1.317    52.870    0.000    0.000
LGA    D    31_A      D    31_A    57.563     0    0.010   0.141    61.257    0.000    0.000
LGA    M    32_A      M    32_A    57.824     0    0.013   0.738    57.824    0.000    0.000
LGA    M    33_A      M    33_A    52.417     0    0.457   1.143    53.897    0.000    0.000
LGA    I    34_A      I    34_A    56.099     0    0.035   0.632    59.142    0.000    0.000
LGA    D    35_A      D    35_A    62.597     0    0.106   0.187    66.593    0.000    0.000
LGA    Q    36_A      Q    36_A    59.754     0    0.141   1.015    60.096    0.000    0.000
LGA    N    37_A      N    37_A    57.514     0    0.104   0.998    59.618    0.000    0.000
LGA    P    38_A      P    38_A    63.128     0    0.053   0.065    64.156    0.000    0.000
LGA    Q    39_A      Q    39_A    58.781     0    0.033   0.709    59.734    0.000    0.000
LGA    L    40_A      L    40_A    57.783     0    0.152   0.236    60.679    0.000    0.000
LGA    R    41_A      R    41_A    63.972     0    0.103   1.265    70.036    0.000    0.000
LGA    N    42_A      N    42_A    67.708     0    0.055   1.080    71.769    0.000    0.000
LGA    M    43_A      M    43_A    63.487     0    0.639   0.716    65.560    0.000    0.000
LGA    G    44_A      G    44_A    68.642     0    0.064   0.064    68.642    0.000    0.000
LGA    P    45_A      P    45_A    67.896     0    0.023   0.082    72.727    0.000    0.000
LGA    E    46_A      E    46_A    66.882     0    0.013   1.162    74.051    0.000    0.000
LGA    A    47_A      A    47_A    60.659     0    0.023   0.029    63.365    0.000    0.000
LGA    R    48_A      R    48_A    58.095     0    0.025   1.162    65.716    0.000    0.000
LGA    Q    49_A      Q    49_A    58.938     0    0.039   1.184    64.952    0.000    0.000
LGA    M    50_A      M    50_A    54.925     0    0.213   1.132    58.627    0.000    0.000
LGA    L    51_A      L    51_A    49.001     0    0.061   1.000    51.641    0.000    0.000
LGA    R    52_A      R    52_A    47.392     0    0.052   1.244    52.690    0.000    0.000
LGA    P    53_A      P    53_A    47.202     0    0.056   0.322    51.561    0.000    0.000
LGA    M    54_A      M    54_A    43.251     0    0.091   1.091    49.161    0.000    0.000
LGA    F    55_A      F    55_A    38.080     0    0.033   1.378    40.497    0.000    0.000
LGA    R    56_A      R    56_A    38.378     0    0.020   0.646    47.904    0.000    0.000
LGA    E    57_A      E    57_A    37.900     0    0.020   0.752    44.987    0.000    0.000
LGA    M    58_A      M    58_A    31.937     0    0.073   1.054    34.473    0.000    0.000
LGA    M    59_A      M    59_A    28.738     0    0.018   0.115    30.514    0.000    0.000
LGA    S    60_A      S    60_A    31.309     0    0.115   0.709    35.991    0.000    0.000
LGA    N    61_A      N    61_A    28.517     0    0.245   1.189    32.483    0.000    0.000
LGA    P    62_A      P    62_A    23.548     0    0.384   0.421    24.951    0.000    0.000
LGA    E    63_A      E    63_A    23.475     0    0.025   1.152    27.979    0.000    0.000
LGA    S    64_A      S    64_A    24.708     0    0.051   0.631    26.747    0.000    0.000
LGA    M    65_A      M    65_A    21.020     0    0.033   0.889    23.683    0.000    0.000
LGA    R    66_A      R    66_A    16.070     0    0.006   1.313    18.193    0.000    0.000
LGA    S    67_A      S    67_A    18.301     0    0.034   0.181    21.771    0.000    0.000
LGA    M    68_A      M    68_A    18.188     0    0.011   0.896    26.727    0.000    0.000
LGA    M    69_A      M    69_A    12.731     0    0.058   0.883    14.816    0.119    0.417
LGA    N    70_A      N    70_A    10.311     0    0.022   1.122    11.561    0.357    0.179
LGA    M    71_A      M    71_A    13.376     0    0.018   1.185    21.193    0.000    0.000
LGA    G    72_A      G    72_A    11.362     0    0.029   0.029    11.981    1.905    1.905
LGA    R    73_A      R    73_A     5.481     0    0.034   0.878     7.532   25.476   24.372
LGA    A    74_A      A    74_A     6.951     0    0.026   0.027     9.292   15.238   12.476
LGA    W    75_A      W    75_A     7.940     0    0.685   0.818    19.769    8.690    2.483
LGA    G    76_A      G    76_A     5.642     0    0.198   0.198     5.642   29.286   29.286
LGA    S    77_A      S    77_A     1.322     0    0.618   0.618     4.231   81.548   68.889
LGA    K    78_A      K    78_A     0.276     0    0.034   0.768     1.631   90.595   86.561
LGA    K    79_A      K    79_A     0.694     0    0.066   0.893     1.700   90.476   85.503
LGA    I    80_A      I    80_A     0.505     0    0.050   0.092     0.578   92.857   94.048
LGA    L    81_A      L    81_A     0.390     0    0.015   0.052     0.477  100.000  100.000
LGA    I    82_A      I    82_A     0.218     0    0.013   0.093     0.314  100.000  100.000
LGA    V    83_A      V    83_A     0.326     0    0.044   0.053     0.486  100.000  100.000
LGA    E    84_A      E    84_A     0.428     0    0.090   0.197     0.789   95.238   94.709
LGA    S    85_A      S    85_A     0.800     0    0.035   0.040     1.230   90.476   87.460
LGA    D    86_A      D    86_A     0.533     0    0.023   0.140     0.942   90.476   90.476
LGA    T    87_A      T    87_A     0.756     0    0.017   1.014     2.978   90.476   84.422
LGA    A    88_A      A    88_A     1.008     0    0.008   0.010     1.265   88.214   86.857
LGA    L    89_A      L    89_A     0.698     0    0.020   0.094     1.163   95.238   91.726
LGA    S    90_A      S    90_A     0.110     0    0.046   0.052     0.426  100.000  100.000
LGA    A    91_A      A    91_A     0.237     0    0.007   0.011     0.504  100.000   98.095
LGA    T    92_A      T    92_A     0.459     0    0.026   0.080     0.956  100.000   95.918
LGA    L    93_A      L    93_A     0.521     0    0.016   0.072     1.043   95.238   91.726
LGA    R    94_A      R    94_A     0.470     0    0.058   0.159     1.050   95.238   90.606
LGA    S    95_A      S    95_A     0.523     0    0.040   0.101     0.775   92.857   93.651
LGA    A    96_A      A    96_A     0.570     0    0.018   0.024     0.779   90.476   90.476
LGA    L    97_A      L    97_A     0.735     0    0.018   0.101     1.020   90.476   89.345
LGA    E    98_A      E    98_A     1.000     0    0.057   0.110     1.272   83.690   83.439
LGA    G    99_A      G    99_A     1.592     0    0.093   0.093     2.093   72.976   72.976
LGA    R   100_A      R   100_A     1.083     0    0.050   1.523     8.377   85.952   54.459
LGA    G   101_A      G   101_A     0.748     0    0.112   0.112     1.191   88.214   88.214
LGA    F   102_A      F   102_A     0.659     0    0.023   0.162     0.781   90.476   93.074
LGA    T   103_A      T   103_A     0.666     0    0.035   0.063     0.823   90.476   90.476
LGA    V   104_A      V   104_A     0.521     0    0.064   0.100     0.687   95.238   93.197
LGA    D   105_A      D   105_A     0.478     0    0.018   0.434     1.438  100.000   95.298
LGA    E   106_A      E   106_A     0.634     0    0.031   0.642     2.188   90.476   81.799
LGA    T   107_A      T   107_A     0.603     0    0.054   0.071     0.648   92.857   91.837
LGA    T   108_A      T   108_A     0.926     0    0.038   0.198     1.342   90.476   86.599
LGA    D   109_A      D   109_A     1.243     0    0.030   0.097     2.966   83.690   74.286
LGA    G   110_A      G   110_A     0.727     0    0.035   0.035     0.866   90.476   90.476
LGA    K   111_A      K   111_A     0.987     0    0.044   0.711     3.038   90.476   73.862
LGA    G   112_A      G   112_A     0.973     0    0.035   0.035     0.993   90.476   90.476
LGA    S   113_A      S   113_A     0.675     0    0.026   0.052     0.759   90.476   90.476
LGA    V   114_A      V   114_A     0.518     0    0.027   0.056     0.629   90.476   94.558
LGA    E   115_A      E   115_A     0.872     0    0.045   0.711     2.612   90.476   77.196
LGA    Q   116_A      Q   116_A     0.712     0    0.026   0.808     3.640   90.476   76.720
LGA    I   117_A      I   117_A     0.512     0    0.022   0.111     0.612   90.476   90.476
LGA    R   118_A      R   118_A     0.696     0    0.031   1.254     4.767   90.476   72.078
LGA    R   119_A      R   119_A     0.759     0    0.069   1.357     5.238   88.214   73.247
LGA    D   120_A      D   120_A     0.592     0    0.051   0.410     1.428   92.857   89.405
LGA    R   121_A      R   121_A     0.472     0    0.026   0.497     3.194   97.619   82.424
LGA    P   122_A      P   122_A     0.511     0    0.019   0.036     0.837   92.857   91.837
LGA    D   123_A      D   123_A     0.468     0    0.039   0.063     0.505   97.619   98.810
LGA    L   124_A      L   124_A     0.309     0    0.054   0.696     1.635  100.000   94.286
LGA    V   125_A      V   125_A     0.560     0    0.016   0.032     0.635   90.476   90.476
LGA    V   126_A      V   126_A     0.654     0    0.016   0.023     0.885   95.238   93.197
LGA    L   127_A      L   127_A     0.271     0    0.032   1.315     3.236  100.000   84.762
LGA    A   128_A      A   128_A     0.223     0    0.053   0.061     0.502   97.619   98.095
LGA    V   129_A      V   129_A     0.372     0    0.045   0.083     0.626  100.000   98.639
LGA    D   130_A      D   130_A     0.438     0    0.018   0.960     3.621  100.000   81.071
LGA    L   131_A      L   131_A     0.584     0    0.634   0.606     2.519   84.524   87.500
LGA    S   132_A      S   132_A     1.760     0    0.427   0.774     3.432   67.143   65.238
LGA    A   133_A      A   133_A     1.921     0    0.510   0.510     3.373   67.143   66.667
LGA    G   134_A      G   134_A     1.881     0    0.238   0.238     2.459   70.833   70.833
LGA    Q   135_A      Q   135_A     1.931     0    0.233   0.790     3.909   68.929   57.090
LGA    N   136_A      N   136_A     0.763     0    0.060   0.203     1.164   88.214   89.345
LGA    G   137_A      G   137_A     0.537     0    0.034   0.034     0.599   90.476   90.476
LGA    Y   138_A      Y   138_A     0.692     0    0.000   1.366     9.926   90.476   50.913
LGA    L   139_A      L   139_A     1.084     0    0.036   0.055     1.501   83.690   81.488
LGA    I   140_A      I   140_A     0.881     0    0.041   0.061     0.931   90.476   90.476
LGA    C   141_A      C   141_A     0.727     0    0.060   0.067     0.814   90.476   90.476
LGA    G   142_A      G   142_A     0.736     0    0.101   0.101     1.138   88.214   88.214
LGA    K   143_A      K   143_A     0.823     0    0.030   0.307     1.577   90.476   88.519
LGA    L   144_A      L   144_A     0.654     0    0.025   0.094     0.934   90.476   90.476
LGA    K   145_A      K   145_A     0.757     0    0.076   0.184     1.312   88.214   89.471
LGA    K   146_A      K   146_A     0.871     0    0.102   0.623     1.822   88.214   86.508
LGA    D   147_A      D   147_A     0.818     0    0.101   0.188     1.258   88.214   89.345
LGA    D   148_A      D   148_A     0.971     0    0.037   0.725     2.672   90.476   81.845
LGA    D   149_A      D   149_A     0.983     0    0.096   0.344     1.782   85.952   83.750
LGA    L   150_A      L   150_A     0.748     0    0.039   1.094     2.754   90.476   84.286
LGA    K   151_A      K   151_A     0.835     0    0.067   0.877     2.886   90.476   81.905
LGA    N   152_A      N   152_A     0.915     0    0.010   0.107     1.539   90.476   84.881
LGA    V   153_A      V   153_A     0.642     0    0.023   0.032     1.053   92.857   90.544
LGA    P   154_A      P   154_A     0.422     0    0.055   0.096     0.451  100.000  100.000
LGA    I   155_A      I   155_A     0.551     0    0.056   0.246     0.972   95.238   92.857
LGA    V   156_A      V   156_A     0.121     0    0.070   0.084     0.639   97.619   98.639
LGA    I   157_A      I   157_A     0.335     0    0.022   0.544     1.735  100.000   93.095
LGA    I   158_A      I   158_A     0.092     0    0.099   1.164     2.500  100.000   86.786
LGA    G   159_A      G   159_A     0.541     0    0.094   0.094     0.623   92.857   92.857
LGA    N   160_A      N   160_A     0.904     0    0.023   0.497     1.853   90.476   87.143
LGA    P   161_A      P   161_A     1.033     0    0.168   0.400     1.313   88.214   87.891
LGA    D   162_A      D   162_A     0.898     0    0.044   1.368     4.157   83.810   75.060
LGA    G   163_A      G   163_A     2.170     0    0.238   0.238     2.170   72.976   72.976
LGA    F   164_A      F   164_A     1.326     0    0.048   0.182     1.733   79.286   83.939
LGA    A   165_A      A   165_A     2.080     0    0.013   0.014     2.627   66.786   64.857
LGA    Q   166_A      Q   166_A     2.799     0    0.054   0.740     5.561   60.952   45.556
LGA    H   167_A      H   167_A     1.422     0    0.062   1.369     4.402   86.190   66.286
LGA    R   168_A      R   168_A     1.006     0    0.015   1.033     4.172   77.381   70.649
LGA    K   169_A      K   169_A     2.734     0    0.084   0.552     6.249   59.048   48.889
LGA    L   170_A      L   170_A     2.376     0    0.113   0.208     3.035   62.857   60.060
LGA    K   171_A      K   171_A     3.180     0    0.043   0.180     5.207   51.786   43.810
LGA    A   172_A      A   172_A     3.353     0    0.178   0.192     4.556   51.786   47.714
LGA    H   173_A      H   173_A     1.246     0    0.692   1.256     4.143   69.286   63.333
LGA    A   174_A      A   174_A     0.787     0    0.137   0.179     1.626   86.071   86.952
LGA    D   175_A      D   175_A     0.430     0    0.038   0.080     0.596  100.000   96.429
LGA    E   176_A      E   176_A     0.596     0    0.052   0.526     1.415   92.857   89.524
LGA    Y   177_A      Y   177_A     0.825     0    0.065   0.081     1.107   90.476   86.706
LGA    V   178_A      V   178_A     0.611     0    0.034   0.054     0.680   92.857   91.837
LGA    A   179_A      A   179_A     0.418     0    0.014   0.018     0.502   97.619   98.095
LGA    K   180_A      K   180_A     0.444     0    0.019   0.371     1.094   95.238   91.587
LGA    P   181_A      P   181_A     0.440     0    0.059   0.365     0.798   97.619   94.558
LGA    V   182_A      V   182_A     0.483     0    0.086   1.073     2.344   97.619   87.211
LGA    D   183_A      D   183_A     0.385     0    0.050   0.385     2.273  100.000   88.690
LGA    A   184_A      A   184_A     0.289     0    0.063   0.071     0.659   97.619   98.095
LGA    D   185_A      D   185_A     0.267     0    0.101   0.818     4.332   97.619   78.512
LGA    Q   186_A      Q   186_A     0.544     0    0.027   1.403     4.489   97.619   78.307
LGA    L   187_A      L   187_A     0.237     0    0.057   1.202     2.589  100.000   89.048
LGA    V   188_A      V   188_A     0.783     0    0.035   0.130     1.621   90.476   85.374
LGA    E   189_A      E   189_A     0.791     0    0.059   0.945     3.189   88.214   75.556
LGA    R   190_A      R   190_A     0.492     0    0.023   1.880     6.881   95.238   68.918
LGA    A   191_A      A   191_A     0.882     0    0.015   0.019     1.377   85.952   86.857
LGA    G   192_A      G   192_A     1.329     0    0.144   0.144     2.069   77.262   77.262
LGA    A   193_A      A   193_A     1.146     0    0.016   0.019     1.146   83.690   83.238
LGA    L   194_A      L   194_A     0.760     0    0.166   0.199     1.552   86.071   88.274
LGA    I   195_A      I   195_A     0.889     0    0.716   0.924     3.736   74.286   79.405
LGA    G   196_A      G   196_A     2.814     0    0.676   0.676     5.029   49.524   49.524
LGA    F   197_A      F   197_A     2.976     0    0.026   1.075     8.313   40.714   32.597
LGA    P   198_A      P   198_A     8.727     0    0.628   0.738     9.927    5.476    5.510
LGA    E   199_A      E   199_A    11.288     0    0.093   0.995    14.057    0.119    0.053
LGA    G   200_A      G   200_A     9.260     0    0.093   0.093    12.314    1.071    1.071
LGA    N   201_A      N   201_A    11.506     0    0.132   1.209    15.435    0.000    0.000
LGA    S   202_A      S   202_A    16.959     0    0.038   0.671    19.851    0.000    0.000
LGA    M   203_A      M   203_A    17.884     0    0.017   0.166    20.558    0.000    0.000
LGA    M   204_A      M   204_A    17.645     0    0.027   1.201    21.255    0.000    0.000
LGA    I   205_A      I   205_A    20.901     0    0.023   0.099    24.972    0.000    0.000
LGA    A   206_A      A   206_A    25.217     0    0.015   0.025    28.554    0.000    0.000
LGA    L   207_A      L   207_A    26.627     0    0.016   1.429    29.693    0.000    0.000
LGA    G   208_A      G   208_A    27.165     0    0.020   0.020    30.744    0.000    0.000
LGA    V   209_A      V   209_A    30.553     0    0.031   0.080    34.625    0.000    0.000
LGA    A   210_A      A   210_A    34.386     0    0.031   0.032    37.755    0.000    0.000
LGA    C   211_A      C   211_A    35.576     0    0.045   0.105    39.222    0.000    0.000
LGA    A   212_A      A   212_A    37.069     0    0.008   0.008    41.158    0.000    0.000
LGA    I   213_A      I   213_A    41.388     0    0.019   0.094    45.536    0.000    0.000
LGA    A   214_A      A   214_A    44.593     0    0.012   0.018    48.290    0.000    0.000
LGA    L   215_A      L   215_A    45.898     0    0.030   0.073    49.540    0.000    0.000
LGA    A   216_A      A   216_A    47.860     0    0.016   0.018    52.244    0.000    0.000
LGA    I   217_A      I   217_A    52.673     0    0.017   0.048    56.634    0.000    0.000
LGA    A   218_A      A   218_A    55.121     0    0.024   0.025    58.588    0.000    0.000
LGA    A   219_A      A   219_A    55.764     0    0.008   0.007    59.670    0.000    0.000
LGA    V   220_A      V   220_A    59.855     0    0.083   0.142    64.106    0.000    0.000
LGA    Y   221_A      Y   221_A    63.869     0    0.048   1.358    67.017    0.000    0.000
LGA    F   222_A      F   222_A    64.820     0    0.358   1.343    65.054    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):    16.250         16.233                 16.696           48.455   45.863

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    123    1.33    53.153    50.111     8.576

LGA_LOCAL      RMSD:   1.334  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.886  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  16.250  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.259985 * X  +  -0.185951 * Y  +   0.947539 * Z  +  18.700994
  Y_new =  -0.884321 * X  +   0.348235 * Y  +   0.310979 * Z  +  21.986008
  Z_new =  -0.387793 * X  +  -0.918779 * Y  +  -0.073904 * Z  +  21.988955 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.284859  0.398236 -1.651061   [DEG:  -73.6170   22.8173  -94.5988 ]
ZXZ:  1.887917  1.644768 -2.742203   [DEG:  108.1697   94.2383 -157.1166 ]
 
# END of job
