
#######################################################
#                                                     #
#                        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  179 ( 1442),  selected  179 , name one
# Molecule2: number of CA atoms  179 ( 1442),  selected  179 , 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:   179       1_A - 179_A       4.50     4.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      20_A - 86_A        2.00     6.05
  LCS_AVERAGE:     24.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14     150_A - 163_A       0.93     5.37
  LCS_AVERAGE:      4.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  179
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     Q     1_A     Q     1_A      3   15  179      3    3    3   14   20   23   31   45   63  119  133  145  155  162  166  168  170  172  174  175 
LCS_GDT     D     2_A     D     2_A      5   15  179      3    7   32   53   75   98  112  127  137  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K     3_A     K     3_A      5   15  179      3   25   44   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     P     4_A     P     4_A      9   15  179      3    8   44   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G     5_A     G     5_A      9   41  179      3   23   47   59   76   97  114  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S     6_A     S     6_A      9   41  179      3   11   39   59   70   86  109  123  137  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A     7_A     A     7_A      9   41  179      6   22   44   59   80   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K     8_A     K     8_A      9   41  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A     9_A     A     9_A      9   41  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    10_A     G    10_A      9   41  179     10   28   47   59   80   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    11_A     G    11_A      9   41  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     W    12_A     W    12_A      9   41  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    13_A     T    13_A      8   41  179      7   22   44   58   71   83  109  123  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    14_A     T    14_A      8   41  179      3   13   36   58   69   82   95  119  130  144  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    15_A     Y    15_A      7   41  179      3    9   22   41   58   74   80   89  112  132  142  151  157  161  164  168  170  172  174  175 
LCS_GDT     N    16_A     N    16_A      7   41  179      3    9   21   30   43   61   75   82   92  108  130  144  152  159  162  164  169  171  173  175 
LCS_GDT     T    17_A     T    17_A      7   41  179      0    3    7   13   32   45   63   77   84   94  102  120  139  150  159  163  167  171  172  175 
LCS_GDT     D    18_A     D    18_A      6   41  179      3    6   20   30   40   58   67   79   87   96  110  133  142  150  159  163  167  171  172  175 
LCS_GDT     N    19_A     N    19_A      6   41  179      3    9   21   30   43   60   71   80   90  108  124  142  151  157  161  164  168  171  173  175 
LCS_GDT     T    20_A     T    20_A      6   67  179      3   10   22   41   58   74   82  111  123  134  145  153  159  162  164  168  170  172  174  175 
LCS_GDT     F    21_A     F    21_A      8   67  179      6   19   37   58   69   82  107  122  135  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K    22_A     K    22_A      8   67  179      4   19   42   58   69   87  109  122  137  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    23_A     G    23_A      8   67  179      4   22   43   58   71   93  109  125  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    24_A     G    24_A      8   67  179      4   15   36   58   69   83  102  122  137  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S    25_A     S    25_A      8   67  179      5   24   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    26_A     Y    26_A      8   67  179      5   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A    27_A     A    27_A      8   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K    28_A     K    28_A      8   67  179      7   27   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    29_A     Y    29_A      6   67  179      6   26   47   59   76   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V    30_A     V    30_A     10   67  179      4   24   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L    31_A     L    31_A     10   67  179      0   17   43   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S    32_A     S    32_A     10   67  179      0    4   40   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     P    33_A     P    33_A     10   67  179      4   26   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N    34_A     N    34_A     10   67  179      4   24   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L    35_A     L    35_A     10   67  179      9   27   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A    36_A     A    36_A     10   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L    37_A     L    37_A     10   67  179      6   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K    38_A     K    38_A     10   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    39_A     G    39_A     10   67  179      4   27   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E    40_A     E    40_A      9   67  179     11   25   38   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    41_A     Y    41_A      8   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E    42_A     E    42_A      8   67  179     10   26   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     W    43_A     W    43_A      8   67  179      6   24   44   59   76   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N    44_A     N    44_A      8   67  179      5   19   37   58   69   93  109  123  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N    45_A     N    45_A      8   67  179      4   13   34   56   69   82  107  122  136  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S    46_A     S    46_A      8   67  179      7   25   44   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S    47_A     S    47_A      8   67  179      3   14   27   54   75   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L    48_A     L    48_A      8   67  179      3    9   28   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N    49_A     N    49_A      8   67  179      3   17   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S    50_A     S    50_A      9   67  179      9   26   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     F    51_A     F    51_A      9   67  179     10   26   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K    52_A     K    52_A      9   67  179      9   26   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A    53_A     A    53_A      9   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    54_A     G    54_A      9   67  179      3   11   32   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A    55_A     A    55_A      9   67  179      4   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E    56_A     E    56_A      9   67  179      7   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    57_A     Y    57_A      9   67  179     11   27   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V    58_A     V    58_A      9   67  179     11   27   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A    59_A     A    59_A      8   67  179      4   19   32   51   72   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    60_A     T    60_A      8   67  179      3   19   27   51   75   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     P    61_A     P    61_A     11   67  179     11   25   38   58   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    62_A     Y    62_A     11   67  179      4   16   34   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L    63_A     L    63_A     11   67  179      4   16   39   58   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K    64_A     K    64_A     11   67  179      5   16   34   58   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    65_A     T    65_A     11   67  179      8   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E    66_A     E    66_A     11   67  179      7   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V    67_A     V    67_A     11   67  179      5   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     M    68_A     M    68_A     11   67  179      5   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    69_A     T    69_A     11   67  179      5   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E    70_A     E    70_A     11   67  179     11   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    71_A     Y    71_A     11   67  179     11   27   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N    72_A     N    72_A     10   67  179      5   26   45   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    73_A     T    73_A      7   67  179      3    5   14   49   68   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     D    74_A     D    74_A      7   67  179      3   16   27   55   75   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N    75_A     N    75_A      7   67  179      3   16   37   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    76_A     T    76_A      7   67  179      4   17   32   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     F    77_A     F    77_A      9   67  179      6   19   43   58   70   96  110  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     R    78_A     R    78_A      9   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V    79_A     V    79_A      9   67  179      8   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    80_A     T    80_A      9   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V    81_A     V    81_A      9   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V    82_A     V    82_A      9   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T    83_A     T    83_A      9   67  179     10   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E    84_A     E    84_A      9   67  179      5   15   39   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    85_A     G    85_A      9   67  179      3   23   47   59   75   98  112  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     R    86_A     R    86_A      6   67  179      3    5   12   38   63   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y    87_A     Y    87_A      6   63  179      7   23   37   49   78   95  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     P    88_A     P    88_A      6   15  179      3   14   35   47   55   61   71   89  116  131  147  155  160  163  166  168  170  172  174  175 
LCS_GDT     V    89_A     V    89_A      6   15  179      0   11   32   47   55   61   71  108  119  131  147  155  160  163  166  168  170  172  174  175 
LCS_GDT     D    90_A     D    90_A      6   15  179      0    7   15   19   26   42   56   66   74   82  103  126  141  148  160  167  170  172  174  175 
LCS_GDT     P    91_A     P    91_A      4   15  179      4    4    7   11   17   24   28   38   58   69   77   91  118  132  141  149  158  168  173  175 
LCS_GDT     N    92_A     N    92_A      5   14  179      4    5   15   19   27   50   56   66   76   99  115  136  152  160  164  168  170  172  174  175 
LCS_GDT     L    93_A     L    93_A     10   23  179      4   11   31   45   55   61   77  108  119  134  148  156  160  163  166  168  170  172  174  175 
LCS_GDT     E    94_A     E    94_A     10   23  179     15   27   39   48   57   78   98  115  136  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L    95_A     L    95_A     10   25  179      4   26   39   48   77   93  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     F    96_A     F    96_A     10   25  179      5   13   33   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     P    97_A     P    97_A     10   25  179      4   17   27   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    98_A     G    98_A     10   25  179      5   13   43   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G    99_A     G    99_A     10   25  179      5   15   46   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     W   100_A     W   100_A     10   25  179      5   15   40   58   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y   101_A     Y   101_A     10   25  179      5   15   40   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T   102_A     T   102_A     10   25  179      4   28   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     W   103_A     W   103_A      9   25  179      5   24   47   59   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N   104_A     N   104_A      9   25  179      5   19   37   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N   105_A     N   105_A      6   25  179      4   10   32   43   75   98  113  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   106_A     S   106_A      6   25  179      4   10   21   37   60   97  112  127  137  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   107_A     S   107_A      6   25  179      4   12   32   48   75   98  113  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   108_A     L   108_A      6   25  179      3    4   12   24   50   58   68   76   92  136  145  153  160  163  166  168  170  172  174  175 
LCS_GDT     N   109_A     N   109_A      7   25  179      3    7   26   41   53   58   66   95  113  136  145  153  160  163  166  168  170  172  174  175 
LCS_GDT     K   110_A     K   110_A      7   25  179      3   10   31   44   53   59   84  114  128  136  148  155  160  163  166  168  170  172  174  175 
LCS_GDT     G   111_A     G   111_A      7   25  179      3   10   26   42   53   66   96  120  132  146  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A   112_A     A   112_A      8   25  179      3   16   39   48   75   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     P   113_A     P   113_A      8   25  179      3   14   39   48   55   88  112  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y   114_A     Y   114_A      8   25  179      3   17   39   48   64   97  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T   115_A     T   115_A      8   25  179     16   27   39   54   78   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     R   116_A     R   116_A      8   25  179     11   25   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     A   117_A     A   117_A      8   25  179      8   25   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E   118_A     E   118_A      8   25  179     14   27   39   54   79   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y   119_A     Y   119_A      8   25  179     16   27   39   48   76   90  106  125  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K   120_A     K   120_A      4   13  179      4    9   17   27   39   50   58   74   92  109  128  145  156  163  166  168  170  172  174  175 
LCS_GDT     L   121_A     L   121_A      4   12  179      3    5   14   26   32   38   48   61   70   88  100  118  133  150  160  166  170  172  174  175 
LCS_GDT     T   122_A     T   122_A      4   12  179      3    7   15   26   32   38   46   58   69   82   94  106  119  134  148  162  168  172  174  175 
LCS_GDT     P   123_A     P   123_A      4   13  179      3    6    9   11   15   30   44   53   65   82   91  106  119  131  149  163  168  172  174  175 
LCS_GDT     D   124_A     D   124_A      5   13  179      3    7   14   28   40   52   78   89  104  123  144  154  160  163  166  168  170  172  174  175 
LCS_GDT     L   125_A     L   125_A      8   13  179      8   25   37   50   76   91  107  123  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K   126_A     K   126_A      8   13  179     16   27   39   54   78   97  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   127_A     L   127_A      8   13  179     16   27   39   56   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   128_A     L   128_A      8   13  179     14   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   129_A     S   129_A      8   13  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Q   130_A     Q   130_A      8   13  179      6   25   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V   131_A     V   131_A      8   13  179      6   25   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V   132_A     V   132_A      8   13  179      4   27   39   54   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y   133_A     Y   133_A      5   13  179      5   16   31   44   59   90  112  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N   134_A     N   134_A      6   13  179      4   12   28   43   75   97  112  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T   135_A     T   135_A      6   13  179      4   10   27   39   47   57   87  120  132  144  151  156  160  163  166  168  170  172  174  175 
LCS_GDT     D   136_A     D   136_A      6   13  179      4    5   12   17   26   41   55   70   94  103  129  145  155  162  166  168  170  172  174  175 
LCS_GDT     N   137_A     N   137_A      6   27  179      4    5    9   14   30   41   55   82   99  125  135  151  155  163  166  168  170  172  174  175 
LCS_GDT     T   138_A     T   138_A      6   39  179      3    6   24   39   75   98  112  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     F   139_A     F   139_A     10   39  179      3   13   36   52   77   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K   140_A     K   140_A     10   39  179      3   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     F   141_A     F   141_A     10   39  179      5   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     D   142_A     D   142_A     10   39  179     14   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T   143_A     T   143_A     10   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G   144_A     G   144_A     10   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   145_A     L   145_A     10   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E   146_A     E   146_A     10   39  179     16   27   39   56   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y   147_A     Y   147_A     10   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K   148_A     K   148_A     10   39  179     11   27   38   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   149_A     L   149_A      8   39  179      3    4   18   45   63   90  109  123  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   150_A     S   150_A     14   39  179      5   24   39   48   68   93  110  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     P   151_A     P   151_A     14   39  179      3   15   39   47   59   80  103  121  136  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N   152_A     N   152_A     14   39  179      4   27   39   48   60   83  109  122  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   153_A     L   153_A     14   39  179      6   27   39   48   58   83  109  122  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K   154_A     K   154_A     14   39  179     14   27   39   51   78   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V   155_A     V   155_A     14   39  179     14   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     K   156_A     K   156_A     14   39  179     10   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     F   157_A     F   157_A     14   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E   158_A     E   158_A     14   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y   159_A     Y   159_A     14   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     G   160_A     G   160_A     14   39  179     16   27   39   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     W   161_A     W   161_A     14   39  179     16   27   39   55   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N   162_A     N   162_A     14   39  179     16   27   39   55   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N   163_A     N   163_A     14   39  179      4   11   36   47   61   82  105  120  136  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   164_A     S   164_A      5   39  179      4    6   13   37   52   62   92  111  130  143  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   165_A     S   165_A      5   39  179      4    4    5   10   23   50   72   91  123  138  149  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   166_A     L   166_A      8   39  179      7   20   34   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     N   167_A     N   167_A      8   39  179      4   23   38   57   82   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E   168_A     E   168_A      8   39  179     16   27   39   48   67   97  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     F   169_A     F   169_A      8   39  179      6   27   39   48   67   86  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     T   170_A     T   170_A      8   39  179      7   19   37   48   54   62   76  107  135  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     V   171_A     V   171_A      8   39  179      7   19   37   48   55   62   89  107  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Q   172_A     Q   172_A      8   39  179      4   16   30   42   54   61   70   96  115  137  150  156  160  163  166  168  170  172  174  175 
LCS_GDT     F   173_A     F   173_A      8   39  179      4   20   39   48   55   72   97  121  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     E   174_A     E   174_A      7   39  179     10   27   39   48   55   70   97  110  136  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     Y   175_A     Y   175_A      6   39  179      4   22   39   48   60   87  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     D   176_A     D   176_A      5   39  179      4    9   16   38   58   94  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     L   177_A     L   177_A      5   39  179      3    9   27   50   69   98  115  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   178_A     S   178_A      5    9  179      4   28   47   59   76   97  111  127  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_GDT     S   179_A     S   179_A      3    9  179      3    3   25   47   68   83   99  123  138  148  153  156  160  163  166  168  170  172  174  175 
LCS_AVERAGE  LCS_A:  43.04  (   4.78   24.33  100.00 )

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     16     28     47     59     82     98    115    127    138    148    153    156    160    163    166    168    170    172    174    175 
GDT PERCENT_AT   8.94  15.64  26.26  32.96  45.81  54.75  64.25  70.95  77.09  82.68  85.47  87.15  89.39  91.06  92.74  93.85  94.97  96.09  97.21  97.77
GDT RMS_LOCAL    0.26   0.71   0.98   4.29   1.78   2.01   2.28   2.47   2.71   2.90   3.03   3.11   3.28   3.44   3.57   3.65   3.76   3.94   4.15   4.13
GDT RMS_ALL_AT   6.74   6.04   6.06   5.84   4.69   4.71   4.64   4.74   4.65   4.64   4.62   4.62   4.58   4.59   4.58   4.58   4.56   4.54   4.53   4.53

# Checking swapping
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  E    84_A      E    84_A
#   possible swapping detected:  Y    87_A      Y    87_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  D   136_A      D   136_A
#   possible swapping detected:  F   141_A      F   141_A
#   possible swapping detected:  D   142_A      D   142_A
#   possible swapping detected:  E   158_A      E   158_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  F   173_A      F   173_A
#   possible swapping detected:  D   176_A      D   176_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_A      Q     1_A     7.568     0    0.546   1.151    15.338   12.738    5.820
LGA    D     2_A      D     2_A     3.631     0    0.085   0.975     4.871   42.024   51.607
LGA    K     3_A      K     3_A     1.941     0    0.394   1.253     7.731   66.786   40.106
LGA    P     4_A      P     4_A     2.236     0    0.462   0.463     3.556   61.429   64.014
LGA    G     5_A      G     5_A     3.440     0    0.285   0.285     4.108   46.905   46.905
LGA    S     6_A      S     6_A     4.269     0    0.142   0.657     5.066   43.571   39.603
LGA    A     7_A      A     7_A     2.886     0    0.226   0.309     3.897   53.571   51.524
LGA    K     8_A      K     8_A     2.593     0    0.091   1.067     4.508   64.881   55.556
LGA    A     9_A      A     9_A     2.732     0    0.078   0.085     2.924   57.143   57.143
LGA    G    10_A      G    10_A     3.012     0    0.063   0.063     3.070   55.476   55.476
LGA    G    11_A      G    11_A     2.884     0    0.094   0.094     3.014   61.190   61.190
LGA    W    12_A      W    12_A     2.853     0    0.158   0.457     6.281   53.571   43.605
LGA    T    13_A      T    13_A     4.987     0    0.132   0.266     6.940   30.238   25.306
LGA    T    14_A      T    14_A     6.064     0    0.543   0.539     9.412   11.786   16.190
LGA    Y    15_A      Y    15_A     8.598     0    0.233   1.076     9.310    6.905    4.444
LGA    N    16_A      N    16_A    10.184     0    0.192   0.602    13.521    0.000    1.429
LGA    T    17_A      T    17_A    11.921     0    0.615   1.186    13.803    0.000    0.204
LGA    D    18_A      D    18_A    12.524     0    0.583   0.966    12.897    0.000    0.060
LGA    N    19_A      N    19_A    11.500     0    0.249   1.251    14.493    0.119    0.060
LGA    T    20_A      T    20_A     8.344     0    0.076   0.192     9.302    5.119    5.442
LGA    F    21_A      F    21_A     6.218     0    0.089   0.192     6.996   18.333   22.597
LGA    K    22_A      K    22_A     5.196     0    0.073   1.087     9.926   28.810   22.169
LGA    G    23_A      G    23_A     4.490     0    0.071   0.071     4.667   34.286   34.286
LGA    G    24_A      G    24_A     5.003     0    0.194   0.194     5.003   36.071   36.071
LGA    S    25_A      S    25_A     2.648     0    0.215   0.289     4.390   65.357   56.984
LGA    Y    26_A      Y    26_A     1.071     0    0.098   0.193     4.739   75.119   61.389
LGA    A    27_A      A    27_A     1.489     0    0.132   0.124     1.856   75.000   74.571
LGA    K    28_A      K    28_A     1.335     0    0.104   0.957     4.007   79.286   68.466
LGA    Y    29_A      Y    29_A     3.077     0    0.293   1.076     4.464   61.071   52.738
LGA    V    30_A      V    30_A     1.989     0    0.214   1.084     3.348   68.810   63.878
LGA    L    31_A      L    31_A     2.561     0    0.638   0.950     4.506   52.619   58.155
LGA    S    32_A      S    32_A     2.241     0    0.172   0.683     3.148   59.167   58.571
LGA    P    33_A      P    33_A     1.483     0    0.543   0.495     2.529   77.381   73.197
LGA    N    34_A      N    34_A     2.410     0    0.072   1.013     5.684   69.048   54.405
LGA    L    35_A      L    35_A     1.307     0    0.169   0.834     2.369   79.286   78.512
LGA    A    36_A      A    36_A     2.030     0    0.087   0.109     2.597   72.976   69.810
LGA    L    37_A      L    37_A     2.075     0    0.151   0.940     5.081   73.214   65.536
LGA    K    38_A      K    38_A     1.727     0    0.077   0.929     5.335   70.833   56.455
LGA    G    39_A      G    39_A     1.388     0    0.119   0.119     2.348   75.119   75.119
LGA    E    40_A      E    40_A     1.503     0    0.327   1.420     7.765   77.143   46.931
LGA    Y    41_A      Y    41_A     2.172     0    0.170   0.205     3.580   59.524   63.056
LGA    E    42_A      E    42_A     2.884     0    0.049   0.803     4.586   53.571   48.042
LGA    W    43_A      W    43_A     3.740     0    0.124   0.926     7.858   40.238   29.218
LGA    N    44_A      N    44_A     5.296     0    0.032   1.224     8.050   28.810   21.190
LGA    N    45_A      N    45_A     6.003     0    0.200   0.860     6.941   22.857   18.571
LGA    S    46_A      S    46_A     1.989     0    0.294   0.644     3.650   61.548   66.905
LGA    S    47_A      S    47_A     2.839     0    0.057   0.090     4.123   59.048   53.889
LGA    L    48_A      L    48_A     1.642     0    0.434   0.932     4.020   72.857   62.679
LGA    N    49_A      N    49_A     2.401     0    0.121   1.177     5.144   64.762   54.464
LGA    S    50_A      S    50_A     2.309     0    0.084   0.714     3.442   64.762   62.302
LGA    F    51_A      F    51_A     2.066     0    0.017   0.402     2.974   64.762   67.143
LGA    K    52_A      K    52_A     1.855     0    0.110   0.675     2.925   72.857   65.873
LGA    A    53_A      A    53_A     1.409     0    0.155   0.208     2.207   79.286   76.381
LGA    G    54_A      G    54_A     2.337     0    0.365   0.365     3.131   63.095   63.095
LGA    A    55_A      A    55_A     1.249     0    0.133   0.182     1.648   79.286   79.714
LGA    E    56_A      E    56_A     1.469     0    0.188   0.650     3.185   85.952   71.693
LGA    Y    57_A      Y    57_A     1.244     0    0.161   1.230     6.134   85.952   65.397
LGA    V    58_A      V    58_A     0.926     0    0.055   1.213     3.791   77.381   70.204
LGA    A    59_A      A    59_A     3.677     0    0.038   0.035     4.875   42.262   40.095
LGA    T    60_A      T    60_A     3.645     0    0.089   1.295     7.096   56.071   43.401
LGA    P    61_A      P    61_A     1.379     0    0.165   0.629     4.175   77.143   67.959
LGA    Y    62_A      Y    62_A     1.789     0    0.357   1.386     6.010   79.286   59.683
LGA    L    63_A      L    63_A     1.615     0    0.082   0.875     4.497   75.000   64.524
LGA    K    64_A      K    64_A     1.149     0    0.137   0.899     2.255   81.429   74.921
LGA    T    65_A      T    65_A     1.385     0    0.099   1.116     2.693   79.405   73.197
LGA    E    66_A      E    66_A     2.087     0    0.181   1.227     4.984   61.071   54.550
LGA    V    67_A      V    67_A     1.459     0    0.056   1.148     3.162   75.000   70.816
LGA    M    68_A      M    68_A     1.499     0    0.074   1.320     6.099   75.000   64.107
LGA    T    69_A      T    69_A     1.811     0    0.127   0.184     1.990   72.857   72.857
LGA    E    70_A      E    70_A     1.663     0    0.085   1.084     5.531   77.143   59.577
LGA    Y    71_A      Y    71_A     1.494     0    0.118   0.970     5.746   81.429   62.381
LGA    N    72_A      N    72_A     1.730     0    0.252   0.680     5.162   75.000   59.226
LGA    T    73_A      T    73_A     3.018     0    0.438   0.395     5.939   53.810   40.612
LGA    D    74_A      D    74_A     2.734     0    0.239   1.041     5.376   62.857   50.417
LGA    N    75_A      N    75_A     2.085     0    0.259   0.904     5.543   70.952   56.131
LGA    T    76_A      T    76_A     1.868     0    0.095   0.983     5.865   75.238   55.102
LGA    F    77_A      F    77_A     3.915     0    0.562   1.140    13.287   51.905   20.390
LGA    R    78_A      R    78_A     1.570     0    0.047   1.079     5.758   72.857   56.277
LGA    V    79_A      V    79_A     1.653     0    0.072   1.127     2.991   77.143   71.905
LGA    T    80_A      T    80_A     1.258     0    0.115   1.136     3.369   83.690   74.762
LGA    V    81_A      V    81_A     1.913     0    0.070   1.147     3.806   66.905   64.082
LGA    V    82_A      V    82_A     2.423     0    0.082   0.089     2.866   60.952   62.585
LGA    T    83_A      T    83_A     2.393     0    0.112   1.092     4.092   62.857   59.728
LGA    E    84_A      E    84_A     2.341     0    0.203   0.848     2.628   68.929   68.571
LGA    G    85_A      G    85_A     3.392     0    0.294   0.294     3.403   50.000   50.000
LGA    R    86_A      R    86_A     3.198     0    0.066   1.232    12.737   50.119   24.372
LGA    Y    87_A      Y    87_A     3.850     0    0.090   1.242     5.386   39.524   36.706
LGA    P    88_A      P    88_A     8.304     0    0.340   0.718    10.581    5.238    3.197
LGA    V    89_A      V    89_A     8.674     0    0.599   0.695     9.828    2.381    6.259
LGA    D    90_A      D    90_A    12.783     0    0.542   0.812    14.011    0.000    0.000
LGA    P    91_A      P    91_A    15.511     0    0.558   0.697    16.962    0.000    0.000
LGA    N    92_A      N    92_A    11.296     0    0.259   0.233    13.717    1.548    0.774
LGA    L    93_A      L    93_A     7.896     0    0.188   0.722     9.601    6.190    6.607
LGA    E    94_A      E    94_A     5.807     0    0.065   0.846    10.009   25.357   16.190
LGA    L    95_A      L    95_A     3.709     0    0.104   1.142     6.535   50.595   40.952
LGA    F    96_A      F    96_A     1.547     0    0.232   1.403     7.353   81.786   50.779
LGA    P    97_A      P    97_A     1.754     0    0.152   0.173     2.639   77.143   70.816
LGA    G    98_A      G    98_A     2.375     0    0.122   0.122     2.375   68.810   68.810
LGA    G    99_A      G    99_A     1.871     0    0.134   0.134     2.001   72.976   72.976
LGA    W   100_A      W   100_A     1.943     0    0.064   1.001     6.603   75.000   48.741
LGA    Y   101_A      Y   101_A     1.788     0    0.179   1.233     4.207   66.905   55.754
LGA    T   102_A      T   102_A     2.444     0    0.157   0.836     4.591   64.762   56.803
LGA    W   103_A      W   103_A     2.420     0    0.048   1.124     5.454   64.762   58.946
LGA    N   104_A      N   104_A     1.374     0    0.222   1.196     3.201   67.262   72.560
LGA    N   105_A      N   105_A     3.612     0    0.305   1.113     6.672   38.214   47.976
LGA    S   106_A      S   106_A     3.845     0    0.492   0.529     4.244   41.786   42.302
LGA    S   107_A      S   107_A     3.495     0    0.463   0.653     6.601   33.214   31.905
LGA    L   108_A      L   108_A     7.181     0    0.168   1.297    13.668   25.238   12.798
LGA    N   109_A      N   109_A     6.962     0    0.106   1.219    10.692    8.333    5.298
LGA    K   110_A      K   110_A     5.915     0    0.221   0.919    10.114   26.548   16.667
LGA    G   111_A      G   111_A     4.881     0    0.129   0.129     5.910   29.048   29.048
LGA    A   112_A      A   112_A     2.950     0    0.101   0.098     3.108   57.143   55.714
LGA    P   113_A      P   113_A     3.766     0    0.135   0.180     4.014   45.000   45.374
LGA    Y   114_A      Y   114_A     3.450     0    0.059   0.420     3.822   46.667   49.008
LGA    T   115_A      T   115_A     2.700     0    0.096   0.472     3.795   62.976   58.503
LGA    R   116_A      R   116_A     1.537     0    0.127   1.320     4.301   79.405   63.810
LGA    A   117_A      A   117_A     2.036     0    0.122   0.163     2.341   68.810   68.000
LGA    E   118_A      E   118_A     3.013     0    0.038   0.766     6.432   48.452   41.164
LGA    Y   119_A      Y   119_A     4.639     0    0.213   1.181     6.961   28.333   24.960
LGA    K   120_A      K   120_A     9.343     0    0.085   0.697    17.825    2.143    0.952
LGA    L   121_A      L   121_A    12.429     0    0.688   0.722    14.757    0.000    0.000
LGA    T   122_A      T   122_A    14.265     0    0.537   0.692    16.380    0.000    0.000
LGA    P   123_A      P   123_A    13.725     0    0.472   0.823    16.158    0.000    0.000
LGA    D   124_A      D   124_A     9.032     0    0.433   0.559    11.817    7.143    4.167
LGA    L   125_A      L   125_A     4.780     0    0.211   0.842     6.448   27.857   30.417
LGA    K   126_A      K   126_A     3.490     0    0.275   0.544     4.930   48.333   45.767
LGA    L   127_A      L   127_A     2.808     0    0.134   1.437     6.623   53.571   42.143
LGA    L   128_A      L   128_A     1.681     0    0.124   1.355     4.199   77.143   63.988
LGA    S   129_A      S   129_A     1.598     0    0.132   0.676     3.107   75.000   70.476
LGA    Q   130_A      Q   130_A     0.434     0    0.051   0.946     3.572   90.595   84.339
LGA    V   131_A      V   131_A     0.869     0    0.256   1.099     2.278   90.476   82.993
LGA    V   132_A      V   132_A     2.506     0    0.058   1.066     5.654   57.619   52.381
LGA    Y   133_A      Y   133_A     3.742     0    0.121   1.389    12.866   43.810   16.468
LGA    N   134_A      N   134_A     3.699     0    0.148   1.173     6.771   31.310   39.107
LGA    T   135_A      T   135_A     4.868     0    0.120   1.098     6.802   25.833   25.034
LGA    D   136_A      D   136_A     7.083     0    0.115   0.262     8.405   10.476    9.524
LGA    N   137_A      N   137_A     6.764     0    0.228   1.140     9.395   21.071   14.643
LGA    T   138_A      T   138_A     3.529     0    0.256   1.211     5.854   60.833   46.803
LGA    F   139_A      F   139_A     3.044     0    0.515   1.068     9.429   53.571   25.887
LGA    K   140_A      K   140_A     2.128     0    0.170   1.124     3.795   66.786   61.852
LGA    F   141_A      F   141_A     2.076     0    0.117   0.381     3.000   64.762   62.684
LGA    D   142_A      D   142_A     1.649     0    0.134   1.285     2.889   77.143   72.083
LGA    T   143_A      T   143_A     1.431     0    0.082   0.963     3.422   83.690   78.299
LGA    G   144_A      G   144_A     1.271     0    0.043   0.043     1.786   77.143   77.143
LGA    L   145_A      L   145_A     1.641     0    0.041   0.923     4.265   75.000   64.107
LGA    E   146_A      E   146_A     2.552     0    0.089   0.613     4.007   57.262   53.386
LGA    Y   147_A      Y   147_A     2.418     0    0.148   0.325     2.959   62.857   60.317
LGA    K   148_A      K   148_A     2.232     0    0.103   1.596     7.766   55.714   46.349
LGA    L   149_A      L   149_A     5.005     0    0.114   1.166     6.372   29.286   28.155
LGA    S   150_A      S   150_A     4.839     0    0.113   0.842     5.959   27.619   27.222
LGA    P   151_A      P   151_A     5.960     0    0.287   0.725     7.903   23.810   20.544
LGA    N   152_A      N   152_A     5.613     0    0.336   0.855     6.428   20.357   23.333
LGA    L   153_A      L   153_A     5.268     0    0.113   1.125     6.500   30.238   25.357
LGA    K   154_A      K   154_A     3.475     0    0.098   0.546     5.014   45.119   40.847
LGA    V   155_A      V   155_A     2.463     0    0.051   0.103     2.707   64.881   64.898
LGA    K   156_A      K   156_A     2.357     0    0.093   1.011     3.558   62.857   62.540
LGA    F   157_A      F   157_A     1.351     0    0.100   1.318     5.192   81.429   64.762
LGA    E   158_A      E   158_A     1.620     0    0.110   1.198     3.543   63.452   61.746
LGA    Y   159_A      Y   159_A     1.946     0    0.062   1.023     4.667   75.000   64.484
LGA    G   160_A      G   160_A     1.858     0    0.119   0.119     2.210   66.786   66.786
LGA    W   161_A      W   161_A     2.449     0    0.068   1.507     4.964   66.786   52.449
LGA    N   162_A      N   162_A     2.656     0    0.057   1.263     4.690   47.619   50.714
LGA    N   163_A      N   163_A     5.541     0    0.543   1.020    11.189   19.286   11.845
LGA    S   164_A      S   164_A     6.630     0    0.550   0.548     8.203   18.333   15.238
LGA    S   165_A      S   165_A     6.958     0    0.346   0.843     9.244   19.762   15.079
LGA    L   166_A      L   166_A     2.888     0    0.375   1.010     4.289   54.048   55.655
LGA    N   167_A      N   167_A     2.373     0    0.056   1.164     4.614   60.952   51.607
LGA    E   168_A      E   168_A     3.254     0    0.088   0.581     3.940   50.119   47.090
LGA    F   169_A      F   169_A     3.611     0    0.276   1.176     6.352   40.238   34.589
LGA    T   170_A      T   170_A     4.810     0    0.109   1.142     6.236   34.286   31.088
LGA    V   171_A      V   171_A     4.718     0    0.120   1.155     6.076   27.619   27.211
LGA    Q   172_A      Q   172_A     6.020     0    0.082   1.014    10.099   26.667   13.968
LGA    F   173_A      F   173_A     4.626     0    0.134   1.385     8.384   25.238   18.918
LGA    E   174_A      E   174_A     5.575     0    0.156   0.689     6.664   31.905   23.280
LGA    Y   175_A      Y   175_A     4.297     0    0.162   1.395     9.860   40.476   25.397
LGA    D   176_A      D   176_A     4.108     0    0.094   1.036     6.961   40.238   30.238
LGA    L   177_A      L   177_A     3.473     0    0.450   1.039     6.113   53.810   43.869
LGA    S   178_A      S   178_A     3.774     0    0.075   0.081     6.503   48.333   38.016
LGA    S   179_A      S   179_A     4.712     0    0.300   0.611     8.713   23.214   18.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      179     716    716  100.00    1442   1442  100.00               179
SUMMARY(RMSD_GDC):     4.505          4.489                  5.120           50.847   45.050

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  179  179    4.0    127    2.47    53.352    50.479     4.946

LGA_LOCAL      RMSD:   2.468  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.736  Number of assigned atoms:  179 
Std_ASGN_ATOMS RMSD:   4.505  Standard rmsd on all 179 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.719604 * X  +  -0.516024 * Y  +  -0.464639 * Z  + 129.996826
  Y_new =  -0.689271 * X  +   0.449763 * Y  +   0.567996 * Z  + -119.219719
  Z_new =  -0.084122 * X  +   0.728994 * Y  +  -0.679331 * Z  + -77.415955 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.377721  0.084221  2.320946   [DEG: -136.2334    4.8255  132.9804 ]
ZXZ: -2.455952  2.317647 -0.114886   [DEG: -140.7157  132.7914   -6.5825 ]
 
# END of job
