
#######################################################
#                                                     #
#                        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  249 ( 2004),  selected  226 , name one
# Molecule2: number of CA atoms  226 ( 1803),  selected  226 , 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:   226      23_B - 248_B       4.16     4.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92      32_B - 123_B       1.99     4.41
  LONGEST_CONTINUOUS_SEGMENT:    92      33_B - 124_B       1.94     4.43
  LCS_AVERAGE:     26.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      83_B - 118_B       0.98     6.51
  LCS_AVERAGE:      9.25

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  226
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     R    23_B     R    23_B      5   11  226      3    6    9   33   53   85  108  151  177  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Y    24_B     Y    24_B      5   11  226      4   12   17   36   63   88  123  167  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     K    25_B     K    25_B      5   11  226      4    6    9   44   76  111  145  175  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A    26_B     A    26_B      5   11  226      4   12   17   44   79  112  145  175  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E    27_B     E    27_B      5   11  226      4   12   24   51   81  112  144  172  183  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I    28_B     I    28_B      6   11  226      4    6   22   33   54   96  144  165  182  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G    29_B     G    29_B      6   11  226      3    6   11   33   69  108  137  172  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    30_B     S    30_B      6   11  226      1    8   21   57   82  119  146  175  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V    31_B     V    31_B      6   84  226      2    5   19   36   81  119  153  175  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    32_B     S    32_B      6   92  226      3   10   17   40   72   96  126  150  179  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P    33_B     P    33_B      6   92  226      1    5   36   74  108  145  167  175  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T    34_B     T    34_B      7   92  226      5   30   70  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T    35_B     T    35_B      7   92  226      2    6    8   79  126  153  169  176  184  192  200  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    36_B     S    36_B      7   92  226      4    6   46  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R    37_B     R    37_B      7   92  226      5   30   64  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D    38_B     D    38_B      7   92  226      6   31   57   93  129  151  169  176  184  191  200  209  212  213  214  215  217  219  221  224 
LCS_GDT     T    39_B     T    39_B      7   92  226      4    6   33   59  126  158  169  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F    40_B     F    40_B      7   92  226      6   36   85  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E    41_B     E    41_B      6   92  226      4   28   78  112  144  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D    42_B     D    42_B      6   92  226     10   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     H    43_B     H    43_B     18   92  226      4   23   50   96  133  159  170  175  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D    44_B     D    44_B     30   92  226      9   40   90  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T    45_B     T    45_B     30   92  226     16   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     C    46_B     C    46_B     30   92  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F    47_B     F    47_B     30   92  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L    48_B     L    48_B     30   92  226     18   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G    49_B     G    49_B     30   92  226     12   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V    50_B     V    50_B     30   92  226     12   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    51_B     S    51_B     30   92  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L    52_B     L    52_B     30   92  226     12   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E    53_B     E    53_B     30   92  226      9   56   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     N    54_B     N    54_B     30   92  226     15   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    55_B     S    55_B     30   92  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     N    56_B     N    56_B     30   92  226      7   36   86  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F    57_B     F    57_B     30   92  226     21   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     K    58_B     K    58_B     30   92  226     12   53   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P    59_B     P    59_B     30   92  226     19   48   86  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A    60_B     A    60_B     30   92  226     12   48   86  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     K    61_B     K    61_B     30   92  226     10   42   84  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V    62_B     V    62_B     30   92  226     10   46   76  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D    63_B     D    63_B     30   92  226     10   42   73  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A    64_B     A    64_B     30   92  226     10   32   73  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     M    65_B     M    65_B     30   92  226     10   42   78  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A    66_B     A    66_B     30   92  226     10   32   73  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     K    67_B     K    67_B     30   92  226      9   32   70  117  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     W    68_B     W    68_B     30   92  226      8   32   72  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I    69_B     I    69_B     30   92  226     10   33   84  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    70_B     S    70_B     30   92  226     10   29   72  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R    71_B     R    71_B     30   92  226      6   32   72  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R    72_B     R    72_B     30   92  226     13   48   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F    73_B     F    73_B     30   92  226     13   56   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    74_B     S    74_B     23   92  226      6   28   78  115  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Q    75_B     Q    75_B     16   92  226     12   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     C    76_B     C    76_B     16   92  226     13   56   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T    77_B     T    77_B     11   92  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V    78_B     V    78_B     11   92  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L    79_B     L    79_B     11   92  226     12   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I    80_B     I    80_B     11   92  226      6   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G    81_B     G    81_B     33   92  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D    82_B     D    82_B     33   92  226      4   18   52   84  129  154  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    83_B     S    83_B     36   92  226     13   38   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I    84_B     I    84_B     36   92  226      5   13   36   97  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     H    85_B     H    85_B     36   92  226      7   35   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R    86_B     R    86_B     36   92  226     13   53   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I    87_B     I    87_B     36   92  226     12   39   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T    88_B     T    88_B     36   92  226     12   50   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L    89_B     L    89_B     36   92  226     13   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E    90_B     E    90_B     36   92  226     13   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    91_B     S    91_B     36   92  226     13   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T    92_B     T    92_B     36   92  226     13   49   90  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R    93_B     R    93_B     36   92  226      5   29   83  119  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S    94_B     S    94_B     36   92  226      7   42   83  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     M    95_B     M    95_B     36   92  226      5   39   83  119  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P    96_B     P    96_B     36   92  226     13   40   83  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P    97_B     P    97_B     36   92  226     13   40   83  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R    98_B     R    98_B     36   92  226     13   39   83  117  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A    99_B     A    99_B     36   92  226      9   38   83  117  143  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   100_B     A   100_B     36   92  226     13   40   85  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   101_B     L   101_B     36   92  226     12   40   83  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   102_B     D   102_B     36   92  226     10   28   75  113  138  158  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   103_B     D   103_B     36   92  226     10   40   83  119  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   104_B     A   104_B     36   92  226     10   55   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   105_B     L   105_B     36   92  226      9   28   79  119  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   106_B     R   106_B     36   92  226     10   40   83  117  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   107_B     L   107_B     36   92  226     13   56   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   108_B     G   108_B     36   92  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   109_B     R   109_B     36   92  226     13   55   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   110_B     E   110_B     36   92  226     12   56   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   111_B     F   111_B     36   92  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   112_B     V   112_B     36   92  226     13   48   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   113_B     E   113_B     36   92  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   114_B     S   114_B     36   92  226      5    9   79  112  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   115_B     R   115_B     36   92  226      7    9   29   90  130  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Q   116_B     Q   116_B     36   92  226     13   42   74  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P   117_B     P   117_B     36   92  226     11   48   86  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   118_B     V   118_B     36   92  226      7   36   66  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   119_B     F   119_B     26   92  226      7   14   49   91  138  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   120_B     E   120_B     26   92  226      7   18   49  106  142  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   121_B     S   121_B     11   92  226      7   23   65  114  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   122_B     F   122_B     11   92  226      4   19   61  111  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   123_B     R   123_B     11   92  226      4    9   11   37  126  154  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   124_B     D   124_B      3   92  226      3    4    5   22   36  116  148  169  177  191  201  209  212  213  214  215  217  218  221  224 
LCS_GDT     R   125_B     R   125_B      3   45  226      3    4    4    9   11   20   28   37   60   89  105  145  192  210  213  215  216  218  220  224 
LCS_GDT     T   126_B     T   126_B      3    5  226      3    3    3    5   11   17   28   37   60   89  105  176  205  210  213  215  216  218  220  224 
LCS_GDT     K   127_B     K   127_B      3    7  226      3    3    4   13   23   35   61  115  163  181  193  204  210  213  214  215  216  218  221  224 
LCS_GDT     F   128_B     F   128_B      3   42  226      3    3   12   23   36   49   91  123  168  188  196  207  212  213  214  215  217  219  221  224 
LCS_GDT     T   129_B     T   129_B      9   43  226     14   54   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   130_B     F   130_B      9   43  226      9   48   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   131_B     V   131_B      9   43  226     12   50   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T   132_B     T   132_B      9   43  226      8   41   83  119  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     C   133_B     C   133_B      9   43  226      8   34   70  112  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   134_B     S   134_B      9   43  226      9   39   71  110  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   135_B     E   135_B     32   43  226     12   45   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   136_B     V   136_B     32   43  226      7   32   73  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Q   137_B     Q   137_B     32   43  226      7   32   76  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   138_B     S   138_B     32   43  226      4    9   65  111  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     W   139_B     W   139_B     32   43  226     12   48   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   140_B     G   140_B     32   43  226     15   48   82  116  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   141_B     L   141_B     32   43  226     15   45   82  116  144  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Y   142_B     Y   142_B     32   43  226     15   45   82  116  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   143_B     G   143_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   144_B     D   144_B     32   43  226     15   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Y   145_B     Y   145_B     32   43  226     15   48   82  117  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     H   146_B     H   146_B     32   43  226     19   48   89  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   147_B     E   147_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   148_B     R   148_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   149_B     L   149_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   150_B     R   150_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Q   151_B     Q   151_B     32   43  226     19   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     H   152_B     H   152_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Y   153_B     Y   153_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   154_B     D   154_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Q   155_B     Q   155_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   156_B     D   156_B     32   43  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   157_B     A   157_B     32   43  226     19   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   158_B     A   158_B     32   43  226     21   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   159_B     F   159_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   160_B     R   160_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   161_B     G   161_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   162_B     S   162_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   163_B     V   163_B     32   43  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   164_B     E   164_B     32   43  226     21   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   165_B     A   165_B     32   43  226     21   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   166_B     F   166_B     32   43  226      7   28   57  104  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   167_B     G   167_B     31   43  226      7   14   32   68  130  154  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   168_B     R   168_B     30   43  226      7   11   28   50  105  150  169  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   169_B     D   169_B     12   43  226      7   11   24   40   65  113  163  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Y   170_B     Y   170_B     12   43  226      7   11   14   25   40   65   80  124  173  189  200  209  212  213  214  215  217  219  221  224 
LCS_GDT     H   171_B     H   171_B     12   43  226      7   11   16   31   43   65   81  129  174  192  200  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   172_B     G   172_B     12   38  226      5   11   13   16   29   41   61   81  142  181  198  207  212  213  214  215  217  219  221  224 
LCS_GDT     K   173_B     K   173_B     12   35  226      6   11   13   15   20   30   44   59   71   82  129  175  200  208  213  215  217  219  221  224 
LCS_GDT     R   174_B     R   174_B     12   25  226      5    9   13   15   20   25   33   44   56   69   77   94  127  159  191  211  217  219  221  224 
LCS_GDT     S   175_B     S   175_B     12   18  226      5    8   13   15   20   25   34   43   59   68   87  119  152  186  199  214  217  219  221  224 
LCS_GDT     E   176_B     E   176_B      5   18  226      4    5    6   11   20   25   29   43   58   67   74   84   95  126  155  184  207  219  221  224 
LCS_GDT     G   177_B     G   177_B      5   18  226      4    5    6   11   19   25   26   31   39   52   72   77   89  104  133  163  195  213  221  222 
LCS_GDT     V   178_B     V   178_B      5   18  226      3    5    7   15   20   25   27   39   58   68   89  120  155  189  206  214  217  219  221  224 
LCS_GDT     S   179_B     S   179_B      3   18  226      3    3    4    6   13   15   25   28   32   37   50   60   87  102  144  176  205  219  221  223 
LCS_GDT     A   180_B     A   180_B      3   18  226      3    3   12   15   20   25   26   34   50  108  120  140  174  196  209  214  217  219  221  224 
LCS_GDT     Q   181_B     Q   181_B      3   18  226      3    4    7   15   20   25   26   34   59  108  122  157  180  210  212  214  217  219  221  224 
LCS_GDT     E   182_B     E   182_B      3   49  226      3    4   10   21   58   88  152  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   183_B     L   183_B     17   50  226     12   40   79  107  133  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     D   184_B     D   184_B     17   50  226     12   40   80  111  144  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     H   185_B     H   185_B     17   50  226     12   35   79  107  144  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   186_B     R   186_B     17   50  226     14   43   81  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I   187_B     I   187_B     17   50  226     14   53   86  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   188_B     R   188_B     17   50  226     12   46   85  119  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     K   189_B     K   189_B     17   50  226     14   49   90  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   190_B     S   190_B     17   50  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   191_B     S   191_B     17   50  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   192_B     E   192_B     17   50  226     14   55   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Y   193_B     Y   193_B     17   50  226     15   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   194_B     F   194_B     17   50  226     17   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   195_B     L   195_B     17   50  226     21   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   196_B     E   196_B     17   50  226     21   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   197_B     E   197_B     17   50  226     12   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   198_B     F   198_B     17   50  226     14   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   199_B     A   199_B     17   50  226      5   14   57   87  125  159  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I   200_B     I   200_B      6   50  226      5    5    6   27   45   77  139  165  181  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   201_B     F   201_B      6   50  226      5   14   40   67   90  140  163  172  183  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   202_B     A   202_B      6   50  226      5   17   63   97  132  160  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     C   203_B     C   203_B      5   50  226      3   20   60   96  128  154  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   204_B     L   204_B      5   50  226      6   15   29   82  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Q   205_B     Q   205_B      5   50  226     11   54   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     R   206_B     R   206_B      5   50  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T   207_B     T   207_B      4   50  226     13   46   85  116  144  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   208_B     G   208_B      4   50  226      6   43   79  111  133  160  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   209_B     S   209_B      4   50  226      3   19   28   54   69   97  137  163  174  188  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P   210_B     P   210_B     20   50  226      5   45   85  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   211_B     V   211_B     20   50  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     M   212_B     M   212_B     20   50  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   213_B     V   213_B     20   50  226     22   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Y   214_B     Y   214_B     20   50  226     17   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P   215_B     P   215_B     20   50  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   216_B     G   216_B     20   50  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   217_B     S   217_B     20   50  226     11   45   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     F   218_B     F   218_B     20   50  226     11   45   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   219_B     S   219_B     20   50  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     T   220_B     T   220_B     20   50  226     13   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   221_B     L   221_B     20   50  226     10   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   222_B     S   222_B     20   50  226     11   46   91  119  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   223_B     E   223_B     20   50  226     14   57   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I   224_B     I   224_B     20   50  226     11   55   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   225_B     A   225_B     20   50  226     14   49   91  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     Q   226_B     Q   226_B     20   50  226      9   38   87  115  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   227_B     G   227_B     20   50  226      9   34   84  120  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     K   228_B     K   228_B     20   50  226      8   39   83  113  145  161  170  176  184  192  200  209  212  213  214  215  217  219  221  224 
LCS_GDT     H   229_B     H   229_B     20   50  226     12   39   84  116  145  161  170  176  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P   230_B     P   230_B     20   50  226      3    5   51   79  126  151  169  176  184  191  200  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   231_B     G   231_B      5   50  226      3    4    5   12   31  112  144  172  184  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     A   232_B     A   232_B      5   50  226      3    4   11   35   62  106  146  168  183  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     P   233_B     P   233_B      5   19  226      3    4    7   27   52  108  126  155  179  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   234_B     E   234_B      5   19  226      4    5   11   39   81  117  153  172  183  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     E   235_B     E   235_B      5   18  226      4    5    5    7   15   51   59   97  128  159  180  194  206  212  214  215  217  219  221  224 
LCS_GDT     L   236_B     L   236_B      5    5  226      4    5    5    5   10   12   14   14   14   89  141  157  171  200  208  215  216  219  221  224 
LCS_GDT     R   237_B     R   237_B      5    9  226      4    5   17   26   30   55   88  104  124  184  194  206  212  213  214  215  217  219  221  224 
LCS_GDT     D   238_B     D   238_B      7   10  226      4    6    7   20   36   62  106  165  181  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   239_B     L   239_B      7   10  226      4    6   11   38   63   98  119  149  179  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     I   240_B     I   240_B      7   10  226      4    6   17   38   63   87  117  140  171  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   241_B     V   241_B      7   10  226      4    6   11   25   59   87  116  140  165  189  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     V   242_B     V   242_B      7   10  226      3    6   11   33   58   86  116  140  171  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     S   243_B     S   243_B      7   10  226      4   10   15   27   45   71  106  135  155  178  199  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   244_B     L   244_B      7   10  226      4    6   10   16   45   54  112  138  165  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     H   245_B     H   245_B      7   10  226      3   10   15   27   45   77  110  136  162  186  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     L   246_B     L   246_B      7   10  226      3    9   11   27   45   88  119  149  181  192  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     K   247_B     K   247_B      7   10  226      3    9   17   35   55   85  110  136  156  186  201  209  212  213  214  215  217  219  221  224 
LCS_GDT     G   248_B     G   248_B      7   10  226      3   11   24   38   59   86  110  135  156  186  201  209  212  213  214  215  217  219  221  224 
LCS_AVERAGE  LCS_A:  45.31  (   9.25   26.68  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     22     57     91    120    145    161    170    176    184    192    201    209    212    213    214    215    217    219    221    224 
GDT PERCENT_AT   9.73  25.22  40.27  53.10  64.16  71.24  75.22  77.88  81.42  84.96  88.94  92.48  93.81  94.25  94.69  95.13  96.02  96.90  97.79  99.12
GDT RMS_LOCAL    0.31   0.70   1.00   1.38   1.58   1.74   1.87   2.02   2.28   2.55   2.85   3.00   3.10   3.13   3.17   3.26   3.56   3.71   3.75   3.95
GDT RMS_ALL_AT   4.96   4.92   4.80   4.56   4.55   4.54   4.53   4.51   4.40   4.36   4.27   4.26   4.25   4.24   4.24   4.24   4.19   4.18   4.18   4.17

# Checking swapping
#   possible swapping detected:  E    27_B      E    27_B
#   possible swapping detected:  D    38_B      D    38_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    42_B      D    42_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  F    73_B      F    73_B
#   possible swapping detected:  D   102_B      D   102_B
#   possible swapping detected:  D   103_B      D   103_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  F   111_B      F   111_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  F   119_B      F   119_B
#   possible swapping detected:  E   120_B      E   120_B
#   possible swapping detected:  F   122_B      F   122_B
#   possible swapping detected:  F   128_B      F   128_B
#   possible swapping detected:  D   144_B      D   144_B
#   possible swapping detected:  Y   153_B      Y   153_B
#   possible swapping detected:  D   154_B      D   154_B
#   possible swapping detected:  D   156_B      D   156_B
#   possible swapping detected:  E   164_B      E   164_B
#   possible swapping detected:  F   166_B      F   166_B
#   possible swapping detected:  D   169_B      D   169_B
#   possible swapping detected:  E   182_B      E   182_B
#   possible swapping detected:  D   184_B      D   184_B
#   possible swapping detected:  E   192_B      E   192_B
#   possible swapping detected:  Y   193_B      Y   193_B
#   possible swapping detected:  E   196_B      E   196_B
#   possible swapping detected:  E   197_B      E   197_B
#   possible swapping detected:  Y   214_B      Y   214_B
#   possible swapping detected:  F   218_B      F   218_B
#   possible swapping detected:  E   223_B      E   223_B
#   possible swapping detected:  E   234_B      E   234_B
#   possible swapping detected:  D   238_B      D   238_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    23_B      R    23_B     8.447     0    0.056   0.932    12.441    2.500    2.511
LGA    Y    24_B      Y    24_B     7.255     0    0.097   0.423     9.462   12.619    7.341
LGA    K    25_B      K    25_B     6.371     0    0.061   0.552     7.293   15.238   13.915
LGA    A    26_B      A    26_B     6.138     0    0.142   0.185     6.191   20.476   19.810
LGA    E    27_B      E    27_B     6.381     0    0.182   0.756     8.618   15.238   11.693
LGA    I    28_B      I    28_B     6.770     0    0.065   0.731    10.674   14.286    8.690
LGA    G    29_B      G    29_B     6.575     0    0.650   0.650     6.905   15.238   15.238
LGA    S    30_B      S    30_B     6.151     0    0.247   0.329     6.610   16.190   16.508
LGA    V    31_B      V    31_B     5.775     0    0.291   0.306     6.985   17.262   17.211
LGA    S    32_B      S    32_B     7.253     0    0.103   0.718    11.291   14.405   10.079
LGA    P    33_B      P    33_B     5.147     0    0.133   0.588     7.396   33.214   24.286
LGA    T    34_B      T    34_B     2.067     0    0.582   1.423     4.384   55.952   58.776
LGA    T    35_B      T    35_B     3.959     0    0.169   0.951     7.023   45.238   39.932
LGA    S    36_B      S    36_B     2.061     0    0.660   0.878     3.089   69.286   62.857
LGA    R    37_B      R    37_B     2.091     0    0.110   1.033    10.877   61.190   33.810
LGA    D    38_B      D    38_B     3.974     0    0.382   0.475     7.836   46.786   30.774
LGA    T    39_B      T    39_B     3.481     0    0.211   1.126     7.752   55.476   42.517
LGA    F    40_B      F    40_B     1.959     0    0.066   1.155     3.325   67.262   64.459
LGA    E    41_B      E    41_B     2.763     0    0.200   0.530     7.485   66.905   42.381
LGA    D    42_B      D    42_B     0.929     0    0.078   0.207     2.835   75.714   72.321
LGA    H    43_B      H    43_B     3.902     0    0.490   0.401    11.172   57.500   25.381
LGA    D    44_B      D    44_B     1.351     0    0.257   0.952     7.147   79.286   53.690
LGA    T    45_B      T    45_B     1.564     0    0.088   1.158     3.385   72.857   69.592
LGA    C    46_B      C    46_B     1.576     0    0.105   0.656     2.791   77.143   73.095
LGA    F    47_B      F    47_B     1.129     0    0.104   1.180     5.918   81.429   61.082
LGA    L    48_B      L    48_B     1.019     0    0.029   0.075     1.218   83.690   83.690
LGA    G    49_B      G    49_B     1.385     0    0.046   0.046     1.427   81.429   81.429
LGA    V    50_B      V    50_B     1.450     0    0.023   0.129     2.018   79.286   75.374
LGA    S    51_B      S    51_B     0.952     0    0.089   0.104     1.404   88.214   85.952
LGA    L    52_B      L    52_B     1.169     0    0.080   0.128     1.966   81.429   78.214
LGA    E    53_B      E    53_B     1.452     0    0.066   0.813     5.106   81.429   64.021
LGA    N    54_B      N    54_B     1.187     0    0.096   0.390     2.408   79.286   77.202
LGA    S    55_B      S    55_B     1.548     0    0.077   0.101     1.864   75.000   78.651
LGA    N    56_B      N    56_B     1.761     0    0.150   0.412     3.104   70.833   67.976
LGA    F    57_B      F    57_B     0.776     0    0.261   0.344     1.851   86.071   83.247
LGA    K    58_B      K    58_B     0.721     0    0.089   0.315     2.143   86.190   85.767
LGA    P    59_B      P    59_B     1.576     0    0.076   0.115     1.709   75.000   75.306
LGA    A    60_B      A    60_B     1.457     0    0.061   0.058     1.787   75.000   76.286
LGA    K    61_B      K    61_B     1.525     0    0.049   1.228     5.133   75.000   67.090
LGA    V    62_B      V    62_B     1.763     0    0.052   0.155     1.953   72.857   72.857
LGA    D    63_B      D    63_B     2.044     0    0.045   0.913     5.087   64.762   52.321
LGA    A    64_B      A    64_B     1.904     0    0.062   0.062     2.091   70.833   71.238
LGA    M    65_B      M    65_B     1.599     0    0.056   1.062     2.879   72.857   70.893
LGA    A    66_B      A    66_B     1.911     0    0.041   0.048     2.251   68.810   68.000
LGA    K    67_B      K    67_B     2.478     0    0.025   0.746     4.279   64.762   55.185
LGA    W    68_B      W    68_B     2.084     0    0.044   0.291     2.321   68.810   69.966
LGA    I    69_B      I    69_B     1.354     0    0.039   1.220     3.149   77.143   68.393
LGA    S    70_B      S    70_B     2.071     0    0.061   0.671     2.988   70.833   68.889
LGA    R    71_B      R    71_B     2.146     0    0.147   1.359     6.044   68.810   59.004
LGA    R    72_B      R    72_B     1.860     0    0.153   1.435     3.843   70.833   67.489
LGA    F    73_B      F    73_B     1.363     0    0.139   0.231     2.081   77.143   75.281
LGA    S    74_B      S    74_B     2.414     0    0.213   0.696     3.504   66.786   60.079
LGA    Q    75_B      Q    75_B     1.303     0    0.088   0.276     1.566   79.286   83.598
LGA    C    76_B      C    76_B     0.946     0    0.052   0.708     3.414   88.214   82.222
LGA    T    77_B      T    77_B     1.067     0    0.046   0.055     1.171   85.952   85.306
LGA    V    78_B      V    78_B     0.776     0    0.122   0.150     1.371   88.214   89.184
LGA    L    79_B      L    79_B     1.286     0    0.052   0.117     1.390   81.429   81.429
LGA    I    80_B      I    80_B     1.588     0    0.198   1.117     3.703   77.143   68.452
LGA    G    81_B      G    81_B     0.863     0    0.242   0.242     2.011   81.786   81.786
LGA    D    82_B      D    82_B     3.437     0    0.414   1.317     7.827   61.190   37.500
LGA    S    83_B      S    83_B     1.102     0    0.078   0.578     1.944   79.286   80.079
LGA    I    84_B      I    84_B     2.509     0    0.088   1.537     8.091   62.857   47.560
LGA    H    85_B      H    85_B     1.597     0    0.039   0.224     1.834   79.405   78.048
LGA    R    86_B      R    86_B     1.011     0    0.022   1.055     3.521   81.429   71.299
LGA    I    87_B      I    87_B     1.271     0    0.071   1.390     3.408   83.690   73.452
LGA    T    88_B      T    88_B     1.244     0    0.034   0.061     1.907   81.429   77.755
LGA    L    89_B      L    89_B     1.283     0    0.025   0.103     1.442   81.429   81.429
LGA    E    90_B      E    90_B     1.197     0    0.118   0.543     1.407   81.429   82.434
LGA    S    91_B      S    91_B     1.146     0    0.097   0.096     1.328   81.429   81.429
LGA    T    92_B      T    92_B     1.278     0    0.149   0.292     2.438   75.119   81.701
LGA    R    93_B      R    93_B     2.684     0    0.055   1.176     4.861   57.262   51.645
LGA    S    94_B      S    94_B     1.982     0    0.088   0.074     2.385   66.786   66.111
LGA    M    95_B      M    95_B     2.284     0    0.091   0.827     5.116   68.810   58.214
LGA    P    96_B      P    96_B     1.841     0    0.043   0.634     2.864   70.833   67.211
LGA    P    97_B      P    97_B     1.844     0    0.058   0.088     1.923   72.857   72.857
LGA    R    98_B      R    98_B     2.424     0    0.026   1.389     8.980   60.952   40.303
LGA    A    99_B      A    99_B     2.690     0    0.039   0.038     2.837   60.952   60.190
LGA    A   100_B      A   100_B     1.537     0    0.045   0.042     1.906   77.143   78.000
LGA    L   101_B      L   101_B     1.775     0    0.033   1.420     4.497   68.810   60.536
LGA    D   102_B      D   102_B     3.072     0    0.052   0.219     3.915   55.357   49.345
LGA    D   103_B      D   103_B     2.510     0    0.066   0.324     3.599   65.000   57.560
LGA    A   104_B      A   104_B     1.163     0    0.118   0.121     1.592   81.548   81.524
LGA    L   105_B      L   105_B     2.067     0    0.052   0.174     3.704   66.786   60.238
LGA    R   106_B      R   106_B     2.475     0    0.041   0.840     4.084   66.786   58.701
LGA    L   107_B      L   107_B     1.302     0    0.090   0.120     2.044   83.810   78.393
LGA    G   108_B      G   108_B     0.574     0    0.036   0.036     0.766   90.476   90.476
LGA    R   109_B      R   109_B     1.384     0    0.025   1.347     8.965   81.429   47.186
LGA    E   110_B      E   110_B     1.712     0    0.066   0.120     3.975   79.286   64.709
LGA    F   111_B      F   111_B     0.937     0    0.048   1.116     4.621   85.952   66.667
LGA    V   112_B      V   112_B     0.761     0    0.044   0.132     1.607   88.214   85.374
LGA    E   113_B      E   113_B     1.005     0    0.065   0.685     3.751   81.548   71.693
LGA    S   114_B      S   114_B     2.458     0    0.046   0.639     4.974   61.190   55.556
LGA    R   115_B      R   115_B     3.102     0    0.153   1.240    10.404   57.262   30.260
LGA    Q   116_B      Q   116_B     1.900     0    0.026   1.205     3.787   68.810   64.339
LGA    P   117_B      P   117_B     1.280     0    0.020   0.477     1.724   79.286   76.531
LGA    V   118_B      V   118_B     2.172     0    0.038   0.106     3.408   61.190   58.435
LGA    F   119_B      F   119_B     3.326     0    0.041   0.101     4.847   50.119   44.286
LGA    E   120_B      E   120_B     2.988     0    0.068   0.279     3.369   55.357   55.556
LGA    S   121_B      S   121_B     2.714     0    0.069   0.080     2.909   57.143   57.143
LGA    F   122_B      F   122_B     2.703     0    0.218   0.487     4.062   52.262   49.610
LGA    R   123_B      R   123_B     3.828     0    0.336   1.312     4.491   50.119   47.792
LGA    D   124_B      D   124_B     5.965     0    0.665   0.727     9.949   14.524    9.762
LGA    R   125_B      R   125_B    11.201     0    0.662   1.471    18.188    0.714    0.260
LGA    T   126_B      T   126_B    10.153     0    0.573   0.922    14.300    0.714    0.408
LGA    K   127_B      K   127_B     7.968     0    0.104   0.708     8.837   10.119    7.937
LGA    F   128_B      F   128_B     6.912     0    0.578   0.440    16.583   21.667    8.139
LGA    T   129_B      T   129_B     0.584     0    0.653   0.939     4.360   81.786   65.510
LGA    F   130_B      F   130_B     1.436     0    0.111   1.326     3.745   83.690   73.896
LGA    V   131_B      V   131_B     1.262     0    0.154   1.090     2.884   81.429   78.027
LGA    T   132_B      T   132_B     2.134     0    0.025   0.072     2.955   68.810   64.898
LGA    C   133_B      C   133_B     2.453     0    0.056   0.151     2.728   62.857   62.222
LGA    S   134_B      S   134_B     2.436     0    0.066   0.287     2.665   66.905   64.921
LGA    E   135_B      E   135_B     1.451     0    0.089   0.747     2.144   84.167   77.937
LGA    V   136_B      V   136_B     1.553     0    0.378   1.224     3.002   77.143   68.639
LGA    Q   137_B      Q   137_B     1.709     0    0.123   0.970     4.242   66.905   62.646
LGA    S   138_B      S   138_B     2.638     0    0.166   0.219     3.103   57.262   58.492
LGA    W   139_B      W   139_B     1.558     0    0.068   1.023     5.782   68.810   56.259
LGA    G   140_B      G   140_B     2.526     0    0.038   0.038     3.022   57.262   57.262
LGA    L   141_B      L   141_B     2.698     0    0.073   0.680     3.913   59.048   54.643
LGA    Y   142_B      Y   142_B     2.543     0    0.119   0.203     3.196   60.952   56.032
LGA    G   143_B      G   143_B     1.946     0    0.038   0.038     2.248   70.833   70.833
LGA    D   144_B      D   144_B     1.717     0    0.041   1.172     4.550   72.857   61.131
LGA    Y   145_B      Y   145_B     2.217     0    0.034   0.690     3.646   64.762   60.476
LGA    H   146_B      H   146_B     1.994     0    0.040   1.126     3.738   70.833   64.381
LGA    E   147_B      E   147_B     1.838     0    0.040   1.158     6.194   72.857   55.714
LGA    R   148_B      R   148_B     1.674     0    0.046   1.007     3.595   77.143   67.403
LGA    L   149_B      L   149_B     1.131     0    0.036   1.379     2.933   81.429   75.357
LGA    R   150_B      R   150_B     1.535     0    0.032   1.344     3.962   75.000   67.879
LGA    Q   151_B      Q   151_B     1.829     0    0.058   0.300     3.947   77.143   64.550
LGA    H   152_B      H   152_B     0.545     0    0.073   1.091     4.981   90.476   69.667
LGA    Y   153_B      Y   153_B     0.898     0    0.044   0.170     1.065   88.214   88.214
LGA    D   154_B      D   154_B     1.276     0    0.099   0.188     1.581   81.429   78.214
LGA    Q   155_B      Q   155_B     1.191     0    0.065   0.414     1.550   83.690   81.481
LGA    D   156_B      D   156_B     1.239     0    0.058   0.578     1.987   81.429   81.488
LGA    A   157_B      A   157_B     1.419     0    0.032   0.032     1.608   81.429   79.714
LGA    A   158_B      A   158_B     1.076     0    0.033   0.032     1.193   81.429   83.238
LGA    F   159_B      F   159_B     1.010     0    0.064   0.286     1.296   83.690   86.364
LGA    R   160_B      R   160_B     1.272     0    0.053   1.357     6.369   81.429   64.156
LGA    G   161_B      G   161_B     1.398     0    0.044   0.044     1.472   81.429   81.429
LGA    S   162_B      S   162_B     1.033     0    0.036   0.050     1.145   85.952   87.460
LGA    V   163_B      V   163_B     0.774     0    0.035   0.081     0.848   90.476   90.476
LGA    E   164_B      E   164_B     0.969     0    0.141   0.194     1.159   85.952   88.466
LGA    A   165_B      A   165_B     0.885     0    0.073   0.069     1.630   83.810   83.333
LGA    F   166_B      F   166_B     2.482     0    0.023   0.172     6.286   59.524   40.823
LGA    G   167_B      G   167_B     3.258     0    0.046   0.046     4.565   45.476   45.476
LGA    R   168_B      R   168_B     3.921     0    0.000   0.749     7.991   36.548   28.095
LGA    D   169_B      D   169_B     4.632     0    0.124   0.915     6.692   25.833   33.155
LGA    Y   170_B      Y   170_B     6.309     0    0.086   0.160     9.570   15.952   10.079
LGA    H   171_B      H   171_B     6.832     0    0.147   1.254     9.420    9.167   26.905
LGA    G   172_B      G   172_B     8.683     0    0.087   0.087    10.868    2.619    2.619
LGA    K   173_B      K   173_B    10.486     4    0.175   0.182    12.114    0.357    0.159
LGA    R   174_B      R   174_B    12.591     0    0.521   1.601    13.531    0.000    0.000
LGA    S   175_B      S   175_B    13.573     0    0.371   0.709    17.178    0.000    0.000
LGA    E   176_B      E   176_B    15.139     4    0.413   0.540    15.809    0.000    0.000
LGA    G   177_B      G   177_B    16.954     0    0.051   0.051    16.954    0.000    0.000
LGA    V   178_B      V   178_B    14.732     0    0.258   0.330    15.754    0.000    0.000
LGA    S   179_B      S   179_B    16.130     0    0.614   0.718    19.920    0.000    0.000
LGA    A   180_B      A   180_B    13.942     0    0.601   0.570    14.883    0.000    0.000
LGA    Q   181_B      Q   181_B    12.938     0    0.630   1.281    18.550    0.000    0.000
LGA    E   182_B      E   182_B     6.363     0    0.652   1.173    10.004   25.595   15.503
LGA    L   183_B      L   183_B     3.045     0    0.588   0.562    10.214   51.905   31.131
LGA    D   184_B      D   184_B     2.626     0    0.062   0.152     3.275   57.143   54.464
LGA    H   185_B      H   185_B     2.653     0    0.030   0.220     3.193   60.952   57.952
LGA    R   186_B      R   186_B     1.940     0    0.017   1.350     7.284   70.833   47.879
LGA    I   187_B      I   187_B     1.834     0    0.056   0.129     2.010   72.857   71.845
LGA    R   188_B      R   188_B     2.047     0    0.039   1.802     9.682   68.810   41.558
LGA    K   189_B      K   189_B     1.551     0    0.041   1.083     2.995   79.405   72.275
LGA    S   190_B      S   190_B     0.602     0    0.040   0.691     2.715   92.857   86.508
LGA    S   191_B      S   191_B     1.272     0    0.061   0.115     1.884   83.690   80.079
LGA    E   192_B      E   192_B     1.282     0    0.074   0.802     2.604   85.952   76.032
LGA    Y   193_B      Y   193_B     0.447     0    0.034   0.186     2.731   95.238   83.492
LGA    F   194_B      F   194_B     0.375     0    0.032   1.431     7.232  100.000   61.558
LGA    L   195_B      L   195_B     0.262     0    0.025   0.044     0.828  100.000   95.238
LGA    E   196_B      E   196_B     0.600     0    0.088   0.828     3.517   92.857   79.735
LGA    E   197_B      E   197_B     0.973     0    0.168   1.091     3.097   86.071   78.201
LGA    F   198_B      F   198_B     0.664     0    0.553   1.104     6.181   88.214   59.394
LGA    A   199_B      A   199_B     3.448     0    0.068   0.078     4.488   45.357   43.714
LGA    I   200_B      I   200_B     5.435     0    0.088   1.017     9.667   26.667   18.036
LGA    F   201_B      F   201_B     4.376     0    0.099   0.791     4.922   35.714   35.108
LGA    A   202_B      A   202_B     3.150     0    0.053   0.057     3.979   46.667   50.286
LGA    C   203_B      C   203_B     3.686     0    0.208   0.730     4.085   45.000   44.524
LGA    L   204_B      L   204_B     2.582     0    0.211   0.221     6.592   71.190   48.095
LGA    Q   205_B      Q   205_B     0.595     0    0.064   1.397     6.716   88.214   60.106
LGA    R   206_B      R   206_B     1.938     0    0.041   0.939     3.331   65.357   70.649
LGA    T   207_B      T   207_B     2.675     0    0.368   1.275     5.482   52.262   50.000
LGA    G   208_B      G   208_B     3.350     0    0.702   0.702     5.352   42.619   42.619
LGA    S   209_B      S   209_B     5.735     0    0.195   0.625     9.895   26.548   18.254
LGA    P   210_B      P   210_B     2.236     0    0.671   0.688     2.777   69.048   65.034
LGA    V   211_B      V   211_B     1.634     0    0.038   0.153     2.370   72.857   69.388
LGA    M   212_B      M   212_B     1.162     0    0.092   0.620     2.318   79.286   76.250
LGA    V   213_B      V   213_B     1.452     0    0.098   0.274     1.841   77.143   76.531
LGA    Y   214_B      Y   214_B     1.537     0    0.045   1.303     5.908   77.143   64.603
LGA    P   215_B      P   215_B     1.510     0    0.417   0.411     3.103   67.143   70.816
LGA    G   216_B      G   216_B     1.698     0    0.073   0.073     1.780   72.857   72.857
LGA    S   217_B      S   217_B     1.676     0    0.064   0.080     1.813   77.143   75.714
LGA    F   218_B      F   218_B     1.645     0    0.118   0.120     2.065   70.833   72.121
LGA    S   219_B      S   219_B     1.222     0    0.052   0.575     1.783   81.429   80.000
LGA    T   220_B      T   220_B     1.081     0    0.046   0.076     1.161   81.429   85.306
LGA    L   221_B      L   221_B     1.471     0    0.070   1.124     5.495   79.286   63.690
LGA    S   222_B      S   222_B     1.961     0    0.053   0.074     2.691   72.857   68.889
LGA    E   223_B      E   223_B     1.562     0    0.074   0.197     2.193   72.857   73.862
LGA    I   224_B      I   224_B     1.285     0    0.027   0.132     1.523   79.286   80.357
LGA    A   225_B      A   225_B     1.579     0    0.038   0.044     2.038   72.976   72.952
LGA    Q   226_B      Q   226_B     2.199     0    0.173   0.626     3.563   68.810   59.206
LGA    G   227_B      G   227_B     1.796     0    0.087   0.087     2.152   68.810   68.810
LGA    K   228_B      K   228_B     2.328     0    0.111   0.603     3.157   62.857   59.735
LGA    H   229_B      H   229_B     2.082     0    0.425   0.487     2.176   70.952   75.524
LGA    P   230_B      P   230_B     3.515     0    0.039   0.643     6.063   51.905   39.660
LGA    G   231_B      G   231_B     4.874     0    0.641   0.641     5.707   31.905   31.905
LGA    A   232_B      A   232_B     5.574     0    0.129   0.174     6.611   27.619   24.762
LGA    P   233_B      P   233_B     6.968     0    0.029   0.568     9.679   17.262   10.748
LGA    E   234_B      E   234_B     5.794     0    0.615   0.757     9.465   19.286   14.021
LGA    E   235_B      E   235_B     8.924     0    0.054   1.423    16.296    4.405    1.958
LGA    L   236_B      L   236_B     9.892     0    0.094   0.115    15.820    1.905    0.952
LGA    R   237_B      R   237_B     7.528     0    0.613   1.805    13.006   16.786    6.580
LGA    D   238_B      D   238_B     6.401     0    0.709   0.650     9.680   16.190    9.702
LGA    L   239_B      L   239_B     6.386     0    0.069   0.190     7.170   17.143   15.298
LGA    I   240_B      I   240_B     6.656     0    0.066   1.155     9.025   13.333   13.750
LGA    V   241_B      V   241_B     6.818     0    0.059   0.092     7.739   13.333   11.088
LGA    V   242_B      V   242_B     6.466     0    0.107   0.238     6.958   14.286   13.878
LGA    S   243_B      S   243_B     7.262     0    0.161   0.635    10.053   12.500    9.127
LGA    L   244_B      L   244_B     6.879     0    0.047   0.103     7.906   10.119   10.119
LGA    H   245_B      H   245_B     7.641     0    0.077   1.126    10.252   11.071    5.524
LGA    L   246_B      L   246_B     6.887     0    0.079   0.088     8.433    8.095   16.667
LGA    K   247_B      K   247_B     8.771     0    0.086   0.201    12.585    5.476    2.487
LGA    G   248_B      G   248_B     8.910     0    0.069   0.069     9.540    1.905    1.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      226     904    904  100.00    1803   1803  100.00               226
SUMMARY(RMSD_GDC):     4.163          4.118                  4.737           59.147   53.900

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    176    2.02    62.832    58.431     8.294

LGA_LOCAL      RMSD:   2.022  Number of atoms:  176  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.508  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   4.163  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.772214 * X  +  -0.217168 * Y  +  -0.597096 * Z  +  42.564590
  Y_new =  -0.461336 * X  +   0.837828 * Y  +   0.291914 * Z  +  55.686863
  Z_new =   0.436869 * X  +   0.500882 * Y  +  -0.747170 * Z  + -62.877892 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.603072 -0.452115  2.551029   [DEG: -149.1451  -25.9043  146.1632 ]
ZXZ: -2.025516  2.414590  0.717242   [DEG: -116.0535  138.3458   41.0949 ]
 
# END of job
