
#######################################################
#                                                     #
#                        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  221 ( 1707),  selected  221 , name one
# Molecule2: number of CA atoms  225 ( 1733),  selected  221 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   221       1_B - 241_B       2.97     2.97
  LCS_AVERAGE:     98.22

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106     136_B - 241_B       0.90     3.07
  LCS_AVERAGE:     45.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106     136_B - 241_B       0.90     3.07
  LCS_AVERAGE:     39.34

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  221
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_B     Q     1_B      7  105  221      9  128  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V     2_B     V     2_B      7  105  221      6  138  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q     3_B     Q     3_B      7  105  221     35  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L     4_B     L     4_B      7  105  221     24  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K     5_B     K     5_B      7  105  221     17  109  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     E     6_B     E     6_B      7  105  221     17  132  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S     7_B     S     7_B      7  105  221     17  125  174  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G     8_B     G     8_B      6  105  221      3   42  105  181  199  203  204  206  212  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P     9_B     P     9_B     89  105  221      3    4   30   56   75  170  200  205  208  211  217  218  220  220  220  220  220  220  220  220 
LCS_GDT     G    10_B     G    10_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    11_B     L    11_B     90  105  221     38  143  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V    12_B     V    12_B     90  105  221     36  119  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A    13_B     A    13_B     90  105  221      5   96  179  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P    14_B     P    14_B     90  105  221     18   96  179  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    15_B     S    15_B     90  105  221      5    7  144  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q    16_B     Q    16_B     90  105  221     16  111  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    17_B     S    17_B     90  105  221     32  141  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    18_B     L    18_B     90  105  221     37  111  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    19_B     S    19_B     90  105  221     81  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I    20_B     I    20_B     90  105  221     75  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T    21_B     T    21_B     90  105  221     77  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     C    22_B     C    22_B     90  105  221     76  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T    23_B     T    23_B     90  105  221     44  143  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V    24_B     V    24_B     90  105  221     15  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    25_B     S    25_B     90  105  221     63  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G    26_B     G    26_B     90  105  221     18  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     F    27_B     F    27_B     90  105  221     34  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    28_B     S    28_B     90  105  221     61  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    29_B     L    29_B     90  105  221     51  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T    30_B     T    30_B     90  105  221     46  135  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    31_B     S    31_B     90  105  221     46  144  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y    32_B     Y    32_B     90  105  221     31  143  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G    33_B     G    33_B     90  105  221     31  139  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V    34_B     V    34_B     90  105  221     31  140  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     H    35_B     H    35_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     W    36_B     W    36_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V    37_B     V    37_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     R    38_B     R    38_B     90  105  221     31  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q    39_B     Q    39_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P    40_B     P    40_B     90  105  221     48  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P    41_B     P    41_B     90  105  221     10  116  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G    42_B     G    42_B     90  105  221     10  110  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K    43_B     K    43_B     90  105  221     36  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G    44_B     G    44_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    45_B     L    45_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     E    46_B     E    46_B     90  105  221     81  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     W    47_B     W    47_B     90  105  221     81  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    48_B     L    48_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G    49_B     G    49_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V    50_B     V    50_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I    51_B     I    51_B     90  105  221     49  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     W    52_B     W    52_B     90  105  221     16   93  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A    53_B     A    53_B     90  105  221      8   35  136  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D    54_B     D    54_B     90  105  221      8   21  134  194  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G    55_B     G    55_B     90  105  221      8   85  176  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    56_B     S    56_B     90  105  221     29  140  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T    57_B     T    57_B     90  105  221     49  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     N    58_B     N    58_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y    59_B     Y    59_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     N    60_B     N    60_B     90  105  221     71  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    61_B     S    61_B     90  105  221      4  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A    62_B     A    62_B     90  105  221     77  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    63_B     L    63_B     90  105  221      4  138  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     M    64_B     M    64_B     90  105  221     46  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    65_B     S    65_B     90  105  221     37   93  179  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     R    66_B     R    66_B     90  105  221     17  111  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    67_B     L    67_B     90  105  221      7  103  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    68_B     S    68_B     90  105  221     42  143  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I    69_B     I    69_B     90  105  221     42  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    70_B     S    70_B     90  105  221     51  146  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K    71_B     K    71_B     90  105  221     49  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D    72_B     D    72_B     90  105  221     48  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     N    73_B     N    73_B     90  105  221     48  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    74_B     S    74_B     90  105  221     12  127  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K    75_B     K    75_B     90  105  221     57  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    76_B     S    76_B     90  105  221     31  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q    77_B     Q    77_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V    78_B     V    78_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     F    79_B     F    79_B     90  105  221     38  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    80_B     L    80_B     90  105  221     63  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K    81_B     K    81_B     90  105  221     52  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     M    82_B     M    82_B     90  105  221     38  125  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     N    83_B     N    83_B     90  105  221     34  128  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S    84_B     S    84_B     90  105  221     23  103  179  194  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L    85_B     L    85_B     90  105  221     15  119  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q    86_B     Q    86_B     90  105  221     30  120  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T    87_B     T    87_B     90  105  221     16  110  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D    88_B     D    88_B     90  105  221     45  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D    89_B     D    89_B     90  105  221     57  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T    90_B     T    90_B     90  105  221     55  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A    91_B     A    91_B     90  105  221     74  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     M    92_B     M    92_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y    93_B     Y    93_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y    94_B     Y    94_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     C    95_B     C    95_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A    96_B     A    96_B     90  105  221     78  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     R    97_B     R    97_B     90  105  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     W    98_B     W    98_B     90  105  221      7   53  175  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T    99_B     T    99_B     90  105  221      5   53  154  194  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   100_B     Y   100_B      8  105  221      5    6   20   35   47  127  198  203  209  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   101_B     G   101_B      7  105  221      5    6   10   32   76  131  180  205  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D   102_B     D   102_B      4  105  221      3    4    8   18   25   49   63   83   95  116  211  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   103_B     Y   103_B      4  105  221      3    6    8   26   59   94  192  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     F   104_B     F   104_B      4  105  221      1    4    8   20   29   94  148  203  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D   105_B     D   105_B      4  105  221      3    4    9   22   60   88  135  193  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   106_B     Y   106_B      4   97  221      3    4    9   21   60   85  128  192  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     W   107_B     W   107_B      6   10  221      3    4    6   30   53   97  182  205  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   108_B     G   108_B      6   10  221      3    4   29   70  122  175  202  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   109_B     Q   109_B      6   10  221      3    4    7   45   58   81  124  167  194  211  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   110_B     G   110_B      6   10  221      3    4    7   44   61   94  163  199  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   111_B     T   111_B      6   10  221      3   14   31   50   86  121  167  198  209  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   112_B     T   112_B      6   10  221      3    4    7   50   94  121  167  202  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   113_B     L   113_B      6   10  221      3    4    7    8   61  121  145  198  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   114_B     T   114_B      6   10  221      3    4    7   13   66  144  192  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   135_B     S   135_B      0    0  221      0    0    0    0    0    0    0    0    0    0    0    0    0    0    0    0    0    0    0    0 
LCS_GDT     D   136_B     D   136_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I   137_B     I   137_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   138_B     Q   138_B    106  106  221     66  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     M   139_B     M   139_B    106  106  221     71  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   140_B     T   140_B    106  106  221     45  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   141_B     Q   141_B    106  106  221     77  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   142_B     T   142_B    106  106  221      7   85  165  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   143_B     T   143_B    106  106  221     48  145  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   144_B     S   144_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   145_B     S   145_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   146_B     L   146_B    106  106  221     17  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   147_B     S   147_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A   148_B     A   148_B    106  106  221     24  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   149_B     S   149_B    106  106  221     12  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   150_B     L   150_B    106  106  221     51  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   151_B     G   151_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D   152_B     D   152_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     R   153_B     R   153_B    106  106  221     48  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V   154_B     V   154_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   155_B     T   155_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I   156_B     I   156_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   157_B     S   157_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     C   158_B     C   158_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   159_B     S   159_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A   160_B     A   160_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   161_B     S   161_B    106  106  221      6   82  165  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   162_B     Q   162_B    106  106  221     17   47  125  192  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   163_B     G   163_B    106  106  221      3    5   17   68  166  200  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I   164_B     I   164_B    106  106  221      3   36  101  167  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   165_B     S   165_B    106  106  221     22  139  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     N   166_B     N   166_B    106  106  221     54  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   167_B     Y   167_B    106  106  221     57  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   168_B     L   168_B    106  106  221     57  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     N   169_B     N   169_B    106  106  221     72  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     W   170_B     W   170_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   171_B     Y   171_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   172_B     Q   172_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   173_B     Q   173_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K   174_B     K   174_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P   175_B     P   175_B    106  106  221     44  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D   176_B     D   176_B    106  106  221     16   82  163  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   177_B     G   177_B    106  106  221      3   19  131  185  201  203  204  205  211  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   178_B     T   178_B    106  106  221      3   14  125  174  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V   179_B     V   179_B    106  106  221      7  128  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K   180_B     K   180_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   181_B     L   181_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   182_B     L   182_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I   183_B     I   183_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   184_B     Y   184_B    106  106  221     80  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   185_B     Y   185_B    106  106  221     80  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   186_B     T   186_B    106  106  221     54  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   187_B     S   187_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   188_B     S   188_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   189_B     L   189_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     H   190_B     H   190_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   191_B     S   191_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   192_B     G   192_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     V   193_B     V   193_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P   194_B     P   194_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   195_B     S   195_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     R   196_B     R   196_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     F   197_B     F   197_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   198_B     S   198_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   199_B     G   199_B    106  106  221     81  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   200_B     S   200_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   201_B     G   201_B    106  106  221     78  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   202_B     S   202_B    106  106  221     38  138  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   203_B     G   203_B    106  106  221     76  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   204_B     T   204_B    106  106  221     78  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D   205_B     D   205_B    106  106  221     80  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   206_B     Y   206_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   207_B     S   207_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   208_B     L   208_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   209_B     T   209_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I   210_B     I   210_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   211_B     S   211_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     N   212_B     N   212_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   213_B     L   213_B    106  106  221     39  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     E   214_B     E   214_B    106  106  221     48  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P   215_B     P   215_B    106  106  221     48  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     E   216_B     E   216_B    106  106  221     62  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     D   217_B     D   217_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I   218_B     I   218_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     A   219_B     A   219_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   220_B     T   220_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   221_B     Y   221_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   222_B     Y   222_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     C   223_B     C   223_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   224_B     Q   224_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Q   225_B     Q   225_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   226_B     Y   226_B    106  106  221     56  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     S   227_B     S   227_B    106  106  221     28  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K   228_B     K   228_B    106  106  221     59  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   229_B     L   229_B    106  106  221     59  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     P   230_B     P   230_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     Y   231_B     Y   231_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   232_B     T   232_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     F   233_B     F   233_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   234_B     G   234_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   235_B     G   235_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     G   236_B     G   236_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     T   237_B     T   237_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     K   238_B     K   238_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     L   239_B     L   239_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     E   240_B     E   240_B    106  106  221     82  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_GDT     I   241_B     I   241_B    106  106  221     10  147  180  195  201  203  204  206  213  216  218  219  220  220  220  220  220  220  220  220 
LCS_AVERAGE  LCS_A:  60.90  (  39.34   45.12   98.22 )

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     82    147    180    195    201    203    204    206    213    216    218    219    220    220    220    220    220    220    220    220 
GDT PERCENT_AT  36.44  65.33  80.00  86.67  89.33  90.22  90.67  91.56  94.67  96.00  96.89  97.33  97.78  97.78  97.78  97.78  97.78  97.78  97.78  97.78
GDT RMS_LOCAL    0.33   0.59   0.81   0.94   1.02   1.05   1.09   1.24   1.69   1.76   1.85   1.92   1.95   1.95   1.95   1.95   1.95   1.95   1.95   1.95
GDT RMS_ALL_AT   3.11   3.05   3.02   3.01   3.01   3.01   3.01   3.00   2.99   2.99   2.99   2.99   2.99   2.99   2.99   2.99   2.99   2.99   2.99   2.99

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    59_B      Y    59_B
#   possible swapping detected:  F    79_B      F    79_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y   103_B      Y   103_B
#   possible swapping detected:  D   105_B      D   105_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  D   136_B      D   136_B
#   possible swapping detected:  Y   167_B      Y   167_B
#   possible swapping detected:  Y   171_B      Y   171_B
#   possible swapping detected:  F   197_B      F   197_B
#   possible swapping detected:  E   216_B      E   216_B
#   possible swapping detected:  Y   222_B      Y   222_B
#   possible swapping detected:  Y   226_B      Y   226_B
#   possible swapping detected:  F   233_B      F   233_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.534     0    0.216   1.350     7.496   79.286   51.323
LGA    V     2_B      V     2_B     1.197     0    0.071   0.110     2.145   85.952   79.184
LGA    Q     3_B      Q     3_B     0.964     0    0.104   1.136     3.896   85.952   79.471
LGA    L     4_B      L     4_B     1.034     0    0.057   0.636     2.139   81.429   80.536
LGA    K     5_B      K     5_B     1.555     0    0.048   0.771     3.768   79.286   67.354
LGA    E     6_B      E     6_B     1.384     0    0.024   1.527     5.095   77.143   63.069
LGA    S     7_B      S     7_B     1.815     0    0.118   0.503     2.386   81.548   78.730
LGA    G     8_B      G     8_B     3.181     0    0.481   0.481     3.181   57.381   57.381
LGA    P     9_B      P     9_B     4.903     0    0.057   0.273     9.210   42.500   26.531
LGA    G    10_B      G    10_B     1.195     0    0.530   0.530     2.152   81.786   81.786
LGA    L    11_B      L    11_B     0.897     0    0.067   0.209     2.860   85.952   77.440
LGA    V    12_B      V    12_B     1.296     0    0.043   0.108     1.383   81.429   82.721
LGA    A    13_B      A    13_B     1.859     0    0.049   0.054     2.032   72.857   71.238
LGA    P    14_B      P    14_B     1.840     0    0.699   0.623     3.597   65.476   67.483
LGA    S    15_B      S    15_B     1.994     0    0.046   0.609     3.921   70.833   65.238
LGA    Q    16_B      Q    16_B     1.448     0    0.087   1.098     4.169   77.143   69.101
LGA    S    17_B      S    17_B     1.051     0    0.075   0.797     2.366   85.952   81.667
LGA    L    18_B      L    18_B     1.614     0    0.120   0.274     4.261   81.548   65.060
LGA    S    19_B      S    19_B     0.619     0    0.023   0.195     1.634   86.071   84.524
LGA    I    20_B      I    20_B     0.573     0    0.143   1.141     2.973   92.857   81.131
LGA    T    21_B      T    21_B     0.763     0    0.128   1.039     3.210   90.476   82.177
LGA    C    22_B      C    22_B     0.837     0    0.073   0.091     1.080   88.214   88.968
LGA    T    23_B      T    23_B     1.395     0    0.063   1.081     3.770   81.429   76.054
LGA    V    24_B      V    24_B     1.105     0    0.045   0.975     3.528   81.429   73.605
LGA    S    25_B      S    25_B     0.872     0    0.049   0.553     2.740   90.476   84.921
LGA    G    26_B      G    26_B     0.962     0    0.046   0.046     1.240   85.952   85.952
LGA    F    27_B      F    27_B     0.732     0    0.037   1.335     7.903   92.857   56.364
LGA    S    28_B      S    28_B     0.421     0    0.015   0.161     1.136   97.619   93.730
LGA    L    29_B      L    29_B     0.635     0    0.114   0.128     1.539   92.857   86.071
LGA    T    30_B      T    30_B     1.162     0    0.078   1.133     3.282   81.429   76.939
LGA    S    31_B      S    31_B     0.832     0    0.105   0.108     1.007   90.476   88.968
LGA    Y    32_B      Y    32_B     1.074     0    0.099   0.197     2.463   81.548   77.262
LGA    G    33_B      G    33_B     1.273     0    0.095   0.095     1.273   81.429   81.429
LGA    V    34_B      V    34_B     1.223     0    0.061   0.074     2.069   85.952   79.184
LGA    H    35_B      H    35_B     0.742     0    0.075   0.253     0.943   90.476   90.476
LGA    W    36_B      W    36_B     0.708     0    0.028   0.124     1.632   90.476   84.082
LGA    V    37_B      V    37_B     0.680     0    0.052   0.176     0.848   90.476   91.837
LGA    R    38_B      R    38_B     1.266     0    0.075   1.079     4.190   88.214   79.957
LGA    Q    39_B      Q    39_B     0.827     0    0.066   0.316     1.949   90.476   82.593
LGA    P    40_B      P    40_B     0.619     0    0.040   0.175     1.027   88.214   91.905
LGA    P    41_B      P    41_B     1.459     0    0.589   0.822     4.771   64.762   73.197
LGA    G    42_B      G    42_B     1.629     0    0.093   0.093     2.636   73.333   73.333
LGA    K    43_B      K    43_B     0.795     0    0.107   0.689     5.163   90.476   75.132
LGA    G    44_B      G    44_B     0.616     0    0.122   0.122     1.281   90.595   90.595
LGA    L    45_B      L    45_B     0.693     0    0.040   0.208     1.062   90.476   89.345
LGA    E    46_B      E    46_B     0.955     0    0.021   0.070     1.928   90.476   82.593
LGA    W    47_B      W    47_B     0.947     0    0.067   0.148     1.132   88.214   88.537
LGA    L    48_B      L    48_B     0.746     0    0.047   1.053     2.459   90.476   84.048
LGA    G    49_B      G    49_B     0.856     0    0.049   0.049     0.856   90.476   90.476
LGA    V    50_B      V    50_B     0.403     0    0.085   0.201     0.869   97.619   95.918
LGA    I    51_B      I    51_B     0.726     0    0.113   0.141     1.060   90.476   89.345
LGA    W    52_B      W    52_B     1.471     0    0.000   0.162     3.644   79.286   66.667
LGA    A    53_B      A    53_B     2.147     0    0.097   0.099     2.425   66.786   66.381
LGA    D    54_B      D    54_B     2.347     0    0.039   0.101     2.350   64.762   68.869
LGA    G    55_B      G    55_B     1.809     0    0.017   0.017     1.878   72.857   72.857
LGA    S    56_B      S    56_B     1.023     0    0.030   0.041     1.291   85.952   87.460
LGA    T    57_B      T    57_B     0.647     0    0.071   0.062     0.885   92.857   91.837
LGA    N    58_B      N    58_B     0.688     0    0.032   0.170     1.274   90.476   89.345
LGA    Y    59_B      Y    59_B     1.053     0    0.035   0.227     1.565   83.690   84.484
LGA    N    60_B      N    60_B     1.183     0    0.128   0.590     3.385   85.952   77.619
LGA    S    61_B      S    61_B     1.146     0    0.038   0.207     1.924   81.429   78.571
LGA    A    62_B      A    62_B     0.901     0    0.155   0.166     1.350   88.214   86.857
LGA    L    63_B      L    63_B     1.392     0    0.062   0.186     3.097   83.690   70.476
LGA    M    64_B      M    64_B     0.707     0    0.662   0.830     3.709   82.143   75.952
LGA    S    65_B      S    65_B     1.716     0    0.081   0.297     2.208   70.833   74.365
LGA    R    66_B      R    66_B     1.558     0    0.244   0.686     2.983   77.143   73.810
LGA    L    67_B      L    67_B     1.698     0    0.051   0.733     3.823   70.833   63.214
LGA    S    68_B      S    68_B     0.934     0    0.087   0.122     1.241   88.214   88.968
LGA    I    69_B      I    69_B     0.774     0    0.038   0.172     0.941   90.476   90.476
LGA    S    70_B      S    70_B     0.785     0    0.045   0.088     1.264   92.857   89.048
LGA    K    71_B      K    71_B     0.822     0    0.056   0.637     1.326   88.214   84.444
LGA    D    72_B      D    72_B     0.995     0    0.044   0.145     1.517   90.476   84.881
LGA    N    73_B      N    73_B     0.790     0    0.092   0.256     1.231   85.952   90.595
LGA    S    74_B      S    74_B     1.380     0    0.052   0.577     3.035   81.429   74.762
LGA    K    75_B      K    75_B     0.807     0    0.047   0.562     3.517   90.476   82.275
LGA    S    76_B      S    76_B     1.213     0    0.055   0.066     1.515   81.548   80.079
LGA    Q    77_B      Q    77_B     0.771     0    0.062   0.755     2.282   90.476   85.661
LGA    V    78_B      V    78_B     0.662     0    0.077   1.064     2.444   90.476   83.129
LGA    F    79_B      F    79_B     0.664     0    0.101   0.195     0.882   90.476   90.476
LGA    L    80_B      L    80_B     0.281     0    0.124   0.176     1.070   92.976   94.107
LGA    K    81_B      K    81_B     0.532     0    0.041   0.643     2.732   92.857   89.947
LGA    M    82_B      M    82_B     1.272     0    0.104   0.955     5.830   83.690   70.952
LGA    N    83_B      N    83_B     1.191     0    0.159   0.505     2.193   81.429   76.190
LGA    S    84_B      S    84_B     2.089     0    0.052   0.049     2.350   70.833   68.810
LGA    L    85_B      L    85_B     1.650     0    0.049   1.036     3.252   70.833   67.202
LGA    Q    86_B      Q    86_B     1.680     0    0.049   1.292     6.890   72.857   53.598
LGA    T    87_B      T    87_B     1.558     0    0.090   0.129     2.648   77.143   71.905
LGA    D    88_B      D    88_B     0.782     0    0.140   0.225     1.663   90.476   83.810
LGA    D    89_B      D    89_B     0.405     0    0.029   0.178     1.021   97.619   95.298
LGA    T    90_B      T    90_B     0.493     0    0.051   0.109     0.648   95.238   93.197
LGA    A    91_B      A    91_B     0.333     0    0.035   0.046     0.816   95.238   96.190
LGA    M    92_B      M    92_B     0.808     0    0.062   1.187     4.636   90.476   79.762
LGA    Y    93_B      Y    93_B     1.055     0    0.096   0.203     1.643   79.286   83.730
LGA    Y    94_B      Y    94_B     0.674     0    0.072   0.339     1.548   90.476   85.238
LGA    C    95_B      C    95_B     0.776     0    0.067   0.080     0.833   90.476   90.476
LGA    A    96_B      A    96_B     0.819     0    0.042   0.039     0.902   90.476   90.476
LGA    R    97_B      R    97_B     0.744     0    0.069   1.068     4.874   92.857   69.048
LGA    W    98_B      W    98_B     1.744     0    0.045   1.226     7.869   71.071   42.959
LGA    T    99_B      T    99_B     2.087     0    0.133   1.077     4.094   56.190   60.068
LGA    Y   100_B      Y   100_B     5.143     0    0.645   1.520     7.176   30.595   21.468
LGA    G   101_B      G   101_B     5.604     0    0.096   0.096     8.045   17.738   17.738
LGA    D   102_B      D   102_B     8.309     0    0.275   0.224    11.638    6.667    3.393
LGA    Y   103_B      Y   103_B     5.311     0    0.119   1.265     7.251   22.738   28.929
LGA    F   104_B      F   104_B     5.575     0    0.207   1.270    13.137   23.810   10.087
LGA    D   105_B      D   105_B     6.938     0    0.729   1.179     8.641   15.357    9.583
LGA    Y   106_B      Y   106_B     7.077     0    0.210   0.483    13.388   13.571    5.159
LGA    W   107_B      W   107_B     6.349     0    0.665   0.616    13.692   16.310    5.306
LGA    G   108_B      G   108_B     5.015     0    0.045   0.045     6.381   24.048   24.048
LGA    Q   109_B      Q   109_B     7.249     0    0.594   0.977    14.691   11.905    5.820
LGA    G   110_B      G   110_B     6.348     0    0.099   0.099     7.067   15.357   15.357
LGA    T   111_B      T   111_B     6.541     0    0.092   0.989     7.126   16.190   15.034
LGA    T   112_B      T   112_B     6.028     0    0.080   0.888     7.232   16.190   18.912
LGA    L   113_B      L   113_B     6.366     0    0.050   0.969     7.021   17.143   20.298
LGA    T   114_B      T   114_B     5.520     0    0.090   0.212     6.158   19.286   25.306
LGA    S   135_B      S   135_B    33.548     0    0.420   0.623    35.923    0.000    0.000
LGA    D   136_B      D   136_B     0.705     0    0.253   1.161     4.182   86.071   70.179
LGA    I   137_B      I   137_B     0.559     0    0.060   0.552     2.423   90.476   87.262
LGA    Q   138_B      Q   138_B     0.828     0    0.056   0.808     3.800   90.476   70.000
LGA    M   139_B      M   139_B     0.752     0    0.035   0.944     3.241   90.476   81.250
LGA    T   140_B      T   140_B     0.938     0    0.072   1.135     3.344   90.476   82.109
LGA    Q   141_B      Q   141_B     0.394     0    0.060   1.010     3.434   95.238   83.333
LGA    T   142_B      T   142_B     2.161     0    0.696   0.749     5.161   55.595   65.442
LGA    T   143_B      T   143_B     0.907     0    0.095   1.108     3.617   88.452   75.510
LGA    S   144_B      S   144_B     0.440     0    0.036   0.206     1.514   95.238   90.714
LGA    S   145_B      S   145_B     0.773     0    0.037   0.633     1.226   88.214   85.952
LGA    L   146_B      L   146_B     1.204     0    0.058   1.340     4.020   90.595   77.321
LGA    S   147_B      S   147_B     1.047     0    0.026   0.180     1.491   83.690   82.937
LGA    A   148_B      A   148_B     1.049     0    0.069   0.104     1.547   90.595   87.048
LGA    S   149_B      S   149_B     0.894     0    0.169   0.574     1.893   92.857   87.619
LGA    L   150_B      L   150_B     1.205     0    0.703   1.486     4.917   77.619   69.107
LGA    G   151_B      G   151_B     1.139     0    0.110   0.110     1.517   83.810   83.810
LGA    D   152_B      D   152_B     0.720     0    0.060   0.136     0.816   90.476   90.476
LGA    R   153_B      R   153_B     0.931     0    0.120   1.069     3.000   85.952   83.420
LGA    V   154_B      V   154_B     0.275     0    0.042   1.191     2.651  100.000   87.483
LGA    T   155_B      T   155_B     0.335     0    0.092   0.118     0.705   97.619   98.639
LGA    I   156_B      I   156_B     0.534     0    0.088   0.487     2.073   95.238   89.643
LGA    S   157_B      S   157_B     0.162     0    0.029   0.779     2.777  100.000   92.857
LGA    C   158_B      C   158_B     0.223     0    0.079   0.782     2.693  100.000   92.857
LGA    S   159_B      S   159_B     0.526     0    0.064   0.132     0.847   90.476   90.476
LGA    A   160_B      A   160_B     0.452     0    0.156   0.215     0.729   95.238   96.190
LGA    S   161_B      S   161_B     2.051     0    0.346   0.355     3.003   63.095   65.000
LGA    Q   162_B      Q   162_B     2.624     0    0.451   1.001     8.246   60.952   38.307
LGA    G   163_B      G   163_B     3.816     0    0.633   0.633     3.866   48.452   48.452
LGA    I   164_B      I   164_B     2.825     0    0.723   1.150     6.516   66.905   43.214
LGA    S   165_B      S   165_B     1.469     0    0.412   0.702     5.397   81.786   67.222
LGA    N   166_B      N   166_B     0.628     0    0.140   0.821     2.578   90.476   82.917
LGA    Y   167_B      Y   167_B     0.473     0    0.026   0.107     1.213  100.000   92.183
LGA    L   168_B      L   168_B     0.509     0    0.033   0.285     1.427   95.238   90.595
LGA    N   169_B      N   169_B     0.399     0    0.024   0.054     0.977  100.000   95.238
LGA    W   170_B      W   170_B     0.303     0    0.069   1.124     7.106   97.619   70.034
LGA    Y   171_B      Y   171_B     0.128     0    0.030   0.147     0.481  100.000  100.000
LGA    Q   172_B      Q   172_B     0.292     0    0.073   1.070     3.567   97.619   84.550
LGA    Q   173_B      Q   173_B     0.268     0    0.054   0.152     1.126  100.000   94.762
LGA    K   174_B      K   174_B     0.433     0    0.054   0.709     1.237   97.619   92.698
LGA    P   175_B      P   175_B     1.142     0    0.668   0.551     2.439   79.524   79.116
LGA    D   176_B      D   176_B     2.068     0    0.092   1.188     6.121   73.095   53.393
LGA    G   177_B      G   177_B     2.819     0    0.704   0.704     2.819   73.333   73.333
LGA    T   178_B      T   178_B     2.529     0    0.046   1.190     6.870   64.881   48.776
LGA    V   179_B      V   179_B     1.263     0    0.028   1.023     3.175   77.143   72.041
LGA    K   180_B      K   180_B     0.367     0    0.066   0.715     2.861   97.619   88.360
LGA    L   181_B      L   181_B     0.463     0    0.069   0.122     1.352   97.619   91.786
LGA    L   182_B      L   182_B     0.296     0    0.094   0.097     0.559   97.619   98.810
LGA    I   183_B      I   183_B     0.120     0    0.073   0.487     1.762  100.000   96.607
LGA    Y   184_B      Y   184_B     0.397     0    0.028   1.327     7.286  100.000   67.619
LGA    Y   185_B      Y   185_B     0.128     0    0.088   0.180     0.902   97.619   96.825
LGA    T   186_B      T   186_B     0.621     0    0.119   0.202     1.253   97.619   91.973
LGA    S   187_B      S   187_B     0.464     0    0.044   0.065     0.741   95.238   93.651
LGA    S   188_B      S   188_B     0.514     0    0.018   0.704     2.158   97.619   90.952
LGA    L   189_B      L   189_B     0.484     0    0.031   0.293     1.277  100.000   94.107
LGA    H   190_B      H   190_B     0.536     0    0.091   0.941     2.023   92.857   85.286
LGA    S   191_B      S   191_B     0.474     0    0.031   0.079     0.861   95.238   93.651
LGA    G   192_B      G   192_B     0.294     0    0.125   0.125     0.611   97.619   97.619
LGA    V   193_B      V   193_B     0.363     0    0.028   0.107     0.622   97.619   97.279
LGA    P   194_B      P   194_B     0.842     0    0.054   0.150     1.048   90.476   89.184
LGA    S   195_B      S   195_B     0.789     0    0.057   0.595     3.265   90.476   82.222
LGA    R   196_B      R   196_B     0.736     0    0.032   1.453     9.071   90.476   58.052
LGA    F   197_B      F   197_B     0.577     0    0.045   0.058     0.936   90.476   90.476
LGA    S   198_B      S   198_B     0.622     0    0.043   0.520     1.444   90.476   88.968
LGA    G   199_B      G   199_B     0.402     0    0.033   0.033     0.461  100.000  100.000
LGA    S   200_B      S   200_B     0.279     0    0.079   0.653     2.750  100.000   92.857
LGA    G   201_B      G   201_B     0.518     0    0.033   0.033     1.162   90.595   90.595
LGA    S   202_B      S   202_B     1.174     0    0.156   0.233     2.067   83.690   78.730
LGA    G   203_B      G   203_B     0.759     0    0.158   0.158     0.912   90.476   90.476
LGA    T   204_B      T   204_B     0.579     0    0.044   0.164     0.930   90.476   91.837
LGA    D   205_B      D   205_B     0.405     0    0.073   1.048     3.650  100.000   82.262
LGA    Y   206_B      Y   206_B     0.112     0    0.031   0.115     0.974  100.000   96.032
LGA    S   207_B      S   207_B     0.264     0    0.044   0.171     0.492  100.000  100.000
LGA    L   208_B      L   208_B     0.494     0    0.039   0.955     2.389   95.238   87.440
LGA    T   209_B      T   209_B     0.564     0    0.087   0.187     0.905   90.476   91.837
LGA    I   210_B      I   210_B     0.508     0    0.084   0.080     0.715   90.476   90.476
LGA    S   211_B      S   211_B     0.980     0    0.491   0.503     2.811   79.881   80.397
LGA    N   212_B      N   212_B     0.836     0    0.185   1.216     4.757   88.214   72.738
LGA    L   213_B      L   213_B     0.875     0    0.038   0.970     2.258   90.476   84.048
LGA    E   214_B      E   214_B     0.657     0    0.057   0.494     1.839   90.476   88.519
LGA    P   215_B      P   215_B     0.795     0    0.119   0.328     1.092   90.476   89.184
LGA    E   216_B      E   216_B     0.661     0    0.063   1.150     3.097   92.857   79.418
LGA    D   217_B      D   217_B     0.715     0    0.051   0.112     1.023   90.476   89.345
LGA    I   218_B      I   218_B     0.653     0    0.094   1.095     4.148   92.857   77.738
LGA    A   219_B      A   219_B     0.707     0    0.051   0.051     0.744   90.476   90.476
LGA    T   220_B      T   220_B     0.324     0    0.014   1.099     2.563  100.000   88.844
LGA    Y   221_B      Y   221_B     0.157     0    0.023   0.057     0.705  100.000   98.413
LGA    Y   222_B      Y   222_B     0.061     0    0.039   0.107     0.510  100.000   99.206
LGA    C   223_B      C   223_B     0.094     0    0.064   0.740     2.814  100.000   92.857
LGA    Q   224_B      Q   224_B     0.265     0    0.042   0.502     1.795  100.000   90.847
LGA    Q   225_B      Q   225_B     0.354     0    0.068   1.077     5.824   97.619   70.635
LGA    Y   226_B      Y   226_B     0.486     0    0.038   0.142     0.634  100.000   93.651
LGA    S   227_B      S   227_B     0.729     0    0.052   0.533     2.554   90.595   83.492
LGA    K   228_B      K   228_B     1.070     0    0.033   0.062     2.145   88.214   78.836
LGA    L   229_B      L   229_B     1.050     0    0.212   1.374     3.440   83.690   73.512
LGA    P   230_B      P   230_B     0.554     0    0.095   0.121     0.948   92.857   91.837
LGA    Y   231_B      Y   231_B     0.513     0    0.031   0.235     0.881   92.857   92.857
LGA    T   232_B      T   232_B     0.473     0    0.037   0.127     0.809   95.238   95.918
LGA    F   233_B      F   233_B     0.669     0    0.033   0.143     1.031   90.476   89.654
LGA    G   234_B      G   234_B     0.399     0    0.053   0.053     0.399  100.000  100.000
LGA    G   235_B      G   235_B     0.293     0    0.036   0.036     0.343  100.000  100.000
LGA    G   236_B      G   236_B     0.326     0    0.047   0.047     0.326  100.000  100.000
LGA    T   237_B      T   237_B     0.058     0    0.125   0.131     0.269  100.000  100.000
LGA    K   238_B      K   238_B     0.546     0    0.059   0.311     1.997   92.857   88.571
LGA    L   239_B      L   239_B     0.531     0    0.020   1.262     2.665   92.857   83.155
LGA    E   240_B      E   240_B     0.535     0    0.055   0.587     2.998   90.476   80.000
LGA    I   241_B      I   241_B     1.060     0    0.375   1.499     6.469   81.548   67.976

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      221     884    884  100.00    1707   1707  100.00               225
SUMMARY(RMSD_GDC):     2.975          3.003                  3.400           80.950   75.691

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  221  225    4.0    206    1.24    85.333    77.917    15.335

LGA_LOCAL      RMSD:   1.243  Number of atoms:  206  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.997  Number of assigned atoms:  221 
Std_ASGN_ATOMS RMSD:   2.975  Standard rmsd on all 221 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.324017 * X  +  -0.885742 * Y  +   0.332376 * Z  + -14.412322
  Y_new =  -0.301785 * X  +  -0.429746 * Y  +  -0.851025 * Z  +  70.569763
  Z_new =   0.896626 * X  +   0.175441 * Y  +  -0.406549 * Z  +   8.104190 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.749888 -1.112090  2.734199   [DEG:  -42.9654  -63.7181  156.6581 ]
ZXZ:  0.372341  1.989470  1.377570   [DEG:   21.3336  113.9882   78.9289 ]
 
# END of job
