
#######################################################
#                                                     #
#                        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       4.19     4.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94      30_B - 123_B       1.98     4.40
  LONGEST_CONTINUOUS_SEGMENT:    94      31_B - 124_B       1.98     4.41
  LCS_AVERAGE:     26.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      83_B - 116_B       1.00     6.95
  LCS_AVERAGE:      9.27

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      6    7  226      4    5    7   11   20   67   83  111  136  171  201  209  211  212  214  215  218  219  221  223 
LCS_GDT     Y    24_B     Y    24_B      6    7  226      4    5   12   18   52   83   93  126  165  194  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     K    25_B     K    25_B      6    7  226      4    6   15   37   64   90  128  175  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A    26_B     A    26_B      6    8  226      4    8   15   37   60   93  129  170  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E    27_B     E    27_B      6    8  226      4   16   36   65   94  127  162  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I    28_B     I    28_B      6    8  226      3    6    8   43   65  102  142  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G    29_B     G    29_B      3   68  226      2    5   14   36   73  143  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    30_B     S    30_B      3   94  226      3    3   27   60   86  110  151  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V    31_B     V    31_B      3   94  226      3   12   47   79  116  151  169  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    32_B     S    32_B      6   94  226      3    4    9   60   76  104  144  175  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P    33_B     P    33_B      8   94  226      3   27   64  110  142  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T    34_B     T    34_B      8   94  226      3   22   66  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T    35_B     T    35_B      8   94  226      3   17   75  113  142  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    36_B     S    36_B      8   94  226      3    6   14   95  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R    37_B     R    37_B      8   94  226      4   32   86  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D    38_B     D    38_B      8   94  226      3   39   75  108  135  159  170  176  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T    39_B     T    39_B      8   94  226      3    6    9   22  125  159  170  177  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F    40_B     F    40_B      8   94  226      4   30   80  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E    41_B     E    41_B      6   94  226      3   31   51  109  139  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D    42_B     D    42_B      6   94  226     11   56   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     H    43_B     H    43_B     22   94  226      3   28   65  106  134  158  169  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D    44_B     D    44_B     30   94  226     18   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T    45_B     T    45_B     30   94  226      9   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     C    46_B     C    46_B     30   94  226     11   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F    47_B     F    47_B     30   94  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L    48_B     L    48_B     30   94  226     15   47   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G    49_B     G    49_B     30   94  226      5   47   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V    50_B     V    50_B     30   94  226     16   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    51_B     S    51_B     30   94  226     13   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L    52_B     L    52_B     30   94  226      9   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E    53_B     E    53_B     30   94  226      8   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     N    54_B     N    54_B     30   94  226      5   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    55_B     S    55_B     30   94  226      5   33   86  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     N    56_B     N    56_B     30   94  226      6   31   80  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F    57_B     F    57_B     30   94  226     22   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     K    58_B     K    58_B     30   94  226     15   47   86  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P    59_B     P    59_B     30   94  226     11   47   79  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A    60_B     A    60_B     30   94  226     10   46   79  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     K    61_B     K    61_B     30   94  226     11   46   79  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V    62_B     V    62_B     30   94  226     10   46   83  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D    63_B     D    63_B     30   94  226     10   31   74  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A    64_B     A    64_B     30   94  226     11   34   73  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     M    65_B     M    65_B     30   94  226     11   36   76  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A    66_B     A    66_B     30   94  226     11   32   75  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     K    67_B     K    67_B     30   94  226      8   31   64  113  143  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     W    68_B     W    68_B     30   94  226      8   31   70  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I    69_B     I    69_B     30   94  226     11   34   86  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    70_B     S    70_B     30   94  226      6   32   75  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R    71_B     R    71_B     30   94  226      6   30   70  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R    72_B     R    72_B     30   94  226      9   41   86  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F    73_B     F    73_B     30   94  226      5   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    74_B     S    74_B     25   94  226      9   27   51   98  134  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Q    75_B     Q    75_B     24   94  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     C    76_B     C    76_B     21   94  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T    77_B     T    77_B     11   94  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V    78_B     V    78_B     11   94  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L    79_B     L    79_B     11   94  226     11   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I    80_B     I    80_B     11   94  226      8   51   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G    81_B     G    81_B     11   94  226      9   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D    82_B     D    82_B     12   94  226      5   16   43   62  108  143  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    83_B     S    83_B     34   94  226      9   36   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I    84_B     I    84_B     34   94  226      4   17   34   77  141  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     H    85_B     H    85_B     34   94  226      9   36   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R    86_B     R    86_B     34   94  226      9   60   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I    87_B     I    87_B     34   94  226      9   42   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T    88_B     T    88_B     34   94  226      9   56   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L    89_B     L    89_B     34   94  226     11   51   89  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E    90_B     E    90_B     34   94  226      8   42   89  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    91_B     S    91_B     34   94  226      9   54   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T    92_B     T    92_B     34   94  226      9   51   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R    93_B     R    93_B     34   94  226      4   33   86  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S    94_B     S    94_B     34   94  226      5   23   86  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     M    95_B     M    95_B     34   94  226      3   31   86  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P    96_B     P    96_B     34   94  226      4   39   88  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P    97_B     P    97_B     34   94  226     13   39   86  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R    98_B     R    98_B     34   94  226     11   39   86  111  140  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A    99_B     A    99_B     34   94  226     11   37   86  111  143  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   100_B     A   100_B     34   94  226     13   55   89  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   101_B     L   101_B     34   94  226     13   39   89  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   102_B     D   102_B     34   94  226     13   29   83  110  138  159  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   103_B     D   103_B     34   94  226     13   41   88  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   104_B     A   104_B     34   94  226     13   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   105_B     L   105_B     34   94  226     13   39   89  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   106_B     R   106_B     34   94  226     13   41   89  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   107_B     L   107_B     34   94  226     13   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   108_B     G   108_B     34   94  226     13   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   109_B     R   109_B     34   94  226     13   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   110_B     E   110_B     34   94  226     13   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   111_B     F   111_B     34   94  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   112_B     V   112_B     34   94  226     11   59   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   113_B     E   113_B     34   94  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   114_B     S   114_B     34   94  226      6   27   69   98  139  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   115_B     R   115_B     34   94  226      5   21   46   88  134  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Q   116_B     Q   116_B     34   94  226     14   36   75  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P   117_B     P   117_B     33   94  226     11   46   84  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   118_B     V   118_B     26   94  226     14   36   75  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   119_B     F   119_B     26   94  226      6   18   59  108  142  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   120_B     E   120_B     26   94  226      6   18   64  113  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   121_B     S   121_B     25   94  226      6   24   75  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   122_B     F   122_B      9   94  226      6   28   76  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   123_B     R   123_B      9   94  226      4    8   18  101  142  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   124_B     D   124_B      3   94  226      3    4   12   23   50   92  139  172  181  195  204  207  211  212  214  215  218  219  221  223 
LCS_GDT     R   125_B     R   125_B      3   82  226      3    4    4    4    6   11   49   70   91  115  172  186  209  211  214  215  218  219  221  223 
LCS_GDT     T   126_B     T   126_B      3    5  226      3    3    3    6    8   35   49   58   84  118  172  189  209  211  214  215  218  218  221  223 
LCS_GDT     K   127_B     K   127_B      3    7  226      3    3    4   18   34   45   61  102  137  174  194  201  209  211  214  215  218  219  221  223 
LCS_GDT     F   128_B     F   128_B      3   42  226      3    4   14   18   43   59   73  120  137  177  194  206  210  212  214  215  218  219  221  223 
LCS_GDT     T   129_B     T   129_B      9   42  226     18   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   130_B     F   130_B      9   42  226     11   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   131_B     V   131_B      9   42  226      9   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T   132_B     T   132_B      9   42  226     11   35   77  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     C   133_B     C   133_B      9   42  226      6   32   64  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   134_B     S   134_B     30   42  226      6   33   64  106  144  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   135_B     E   135_B     31   42  226      9   36   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   136_B     V   136_B     31   42  226     11   36   86  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Q   137_B     Q   137_B     31   42  226      6   23   75  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   138_B     S   138_B     31   42  226      5   18   62  108  136  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     W   139_B     W   139_B     31   42  226     11   47   79  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   140_B     G   140_B     31   42  226     14   47   74  108  136  160  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   141_B     L   141_B     31   42  226     22   47   78  111  139  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Y   142_B     Y   142_B     31   42  226     22   46   78  111  142  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   143_B     G   143_B     31   42  226     22   47   78  115  142  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   144_B     D   144_B     31   42  226     22   47   79  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Y   145_B     Y   145_B     31   42  226     22   47   79  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     H   146_B     H   146_B     31   42  226     22   47   79  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   147_B     E   147_B     31   42  226     22   47   78  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   148_B     R   148_B     31   42  226     22   47   78  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   149_B     L   149_B     31   42  226     22   47   85  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   150_B     R   150_B     31   42  226     22   47   80  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Q   151_B     Q   151_B     31   42  226     22   47   78  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     H   152_B     H   152_B     31   42  226     22   56   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Y   153_B     Y   153_B     31   42  226     14   47   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   154_B     D   154_B     31   42  226     22   47   85  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Q   155_B     Q   155_B     31   42  226     22   47   85  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   156_B     D   156_B     31   42  226     22   47   88  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   157_B     A   157_B     31   42  226     22   54   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   158_B     A   158_B     31   42  226     22   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   159_B     F   159_B     31   42  226     22   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   160_B     R   160_B     31   42  226     14   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   161_B     G   161_B     31   42  226     22   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   162_B     S   162_B     31   42  226     22   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   163_B     V   163_B     31   42  226     22   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   164_B     E   164_B     31   42  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   165_B     A   165_B     31   42  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   166_B     F   166_B     31   42  226      6   30   68  111  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   167_B     G   167_B     30   42  226      5   13   39   68  120  149  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   168_B     R   168_B     30   42  226      5   10   28   42  105  144  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   169_B     D   169_B     12   42  226      5   10   20   39   64  120  160  177  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Y   170_B     Y   170_B     12   42  226      5   10   14   23   38   51   74  126  174  189  200  209  211  212  214  215  218  219  221  223 
LCS_GDT     H   171_B     H   171_B     12   40  226      5    9   15   30   43   57   78  128  179  192  202  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   172_B     G   172_B     12   37  226      5   10   13   15   26   39   53   76  135  182  198  209  211  212  213  215  218  219  221  223 
LCS_GDT     K   173_B     K   173_B     12   29  226      5   10   13   15   20   26   38   52   66   80  119  175  196  207  213  215  218  219  221  223 
LCS_GDT     R   174_B     R   174_B     12   18  226      5   10   12   15   20   24   32   40   50   64   71   81  118  157  194  208  216  219  221  223 
LCS_GDT     S   175_B     S   175_B     12   18  226      5   10   12   14   20   24   33   42   50   64   71  110  149  180  202  214  216  219  221  223 
LCS_GDT     E   176_B     E   176_B      4   18  226      3    4    6   12   20   24   28   39   49   61   69   76   91  115  148  182  207  218  221  223 
LCS_GDT     G   177_B     G   177_B      4   18  226      3    4    5    9   17   21   26   28   31   35   43   53   69   73   83   96  113  137  161  191 
LCS_GDT     V   178_B     V   178_B      3   18  226      3    3    5    9   14   21   26   31   36   47   59   73   90  127  151  188  214  219  221  223 
LCS_GDT     S   179_B     S   179_B      3   18  226      3    3    8   14   19   24   26   31   36   47   59   74   95  127  163  201  215  219  221  223 
LCS_GDT     A   180_B     A   180_B      3   18  226      3    3    5   15   20   24   26   33   44   59   89  135  173  198  211  214  216  219  221  223 
LCS_GDT     Q   181_B     Q   181_B      3   18  226      3    4   11   15   20   24   60   87  112  131  157  178  198  211  213  215  217  219  221  223 
LCS_GDT     E   182_B     E   182_B      3   21  226      3    3    3   12   23   39  109  161  178  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   183_B     L   183_B     19   48  226     14   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     D   184_B     D   184_B     19   48  226     14   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     H   185_B     H   185_B     19   48  226     14   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   186_B     R   186_B     19   48  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I   187_B     I   187_B     19   48  226     17   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   188_B     R   188_B     19   48  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     K   189_B     K   189_B     19   48  226     17   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   190_B     S   190_B     19   48  226      9   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   191_B     S   191_B     19   48  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   192_B     E   192_B     19   48  226     15   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Y   193_B     Y   193_B     19   48  226     15   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   194_B     F   194_B     19   48  226     13   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   195_B     L   195_B     19   48  226     18   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   196_B     E   196_B     19   48  226     18   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   197_B     E   197_B     19   48  226     18   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   198_B     F   198_B     19   48  226      9   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   199_B     A   199_B     19   48  226     16   40   80  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I   200_B     I   200_B     19   48  226      5   11   47   92  131  160  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   201_B     F   201_B     19   48  226      8   32   64   90  130  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   202_B     A   202_B     13   48  226      6   30   53   75  104  137  168  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     C   203_B     C   203_B     13   48  226      5   12   21   59   83  122  148  170  184  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   204_B     L   204_B     13   48  226      3   12   21   41   73  103  134  157  174  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Q   205_B     Q   205_B      4   48  226      4   13   66  111  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     R   206_B     R   206_B      4   48  226     12   38   82  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T   207_B     T   207_B      4   48  226      9   30   61   90  122  144  167  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   208_B     G   208_B      4   48  226      3   20   39   47   69  102  142  166  180  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   209_B     S   209_B      4   48  226      3   13   32   44   52   77  109  143  173  189  202  209  211  212  214  215  218  219  221  223 
LCS_GDT     P   210_B     P   210_B     21   48  226      5   27   78  113  142  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   211_B     V   211_B     21   48  226     11   47   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     M   212_B     M   212_B     21   48  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   213_B     V   213_B     21   48  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Y   214_B     Y   214_B     21   48  226     15   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P   215_B     P   215_B     21   48  226      8   36   74  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   216_B     G   216_B     21   48  226     10   47   86  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   217_B     S   217_B     21   48  226     15   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     F   218_B     F   218_B     21   48  226     17   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   219_B     S   219_B     21   48  226      9   50   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     T   220_B     T   220_B     21   48  226     14   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   221_B     L   221_B     21   48  226     14   61   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   222_B     S   222_B     21   48  226      8   40   89  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   223_B     E   223_B     21   48  226      9   62   89  114  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I   224_B     I   224_B     21   48  226     15   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   225_B     A   225_B     21   48  226     14   40   86  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     Q   226_B     Q   226_B     21   48  226      9   40   88  114  145  161  170  177  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   227_B     G   227_B     21   48  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     K   228_B     K   228_B     21   48  226     20   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     H   229_B     H   229_B     21   48  226      8   62   89  115  145  161  170  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P   230_B     P   230_B     21   48  226      5   42   89  113  145  161  170  177  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   231_B     G   231_B      5   27  226      3    3    5   13   94  133  167  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     A   232_B     A   232_B      5   27  226      3    4   13   51   77  100  139  169  183  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     P   233_B     P   233_B      5   24  226      3    4    5   25   43   53  120  145  172  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   234_B     E   234_B      5   22  226      4    5   17   30   77  125  149  178  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     E   235_B     E   235_B      5   21  226      4    4    5   11   19   33   49   92  106  161  188  202  210  212  213  215  218  219  221  223 
LCS_GDT     L   236_B     L   236_B      5    5  226      4    4    5    5   10   12   21   53   77   95  123  153  193  208  213  215  218  219  221  223 
LCS_GDT     R   237_B     R   237_B      5    6  226      4    4    5    5    8   10   13   95  148  172  197  206  211  212  214  215  218  219  221  223 
LCS_GDT     D   238_B     D   238_B      6   11  226      3    4   12   24   27   51  133  154  186  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   239_B     L   239_B      6   11  226      3    6   10   39   64  103  126  155  183  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     I   240_B     I   240_B      9   11  226      3    8   20   39   60   90  122  152  175  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   241_B     V   241_B      9   11  226      3    8   20   39   60   82  123  152  174  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     V   242_B     V   242_B      9   11  226      3    7   12   27   52   76  132  152  178  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     S   243_B     S   243_B      9   11  226      3    8   15   37   55   81  107  141  164  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   244_B     L   244_B      9   11  226      3    6   17   41   63  103  133  169  186  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     H   245_B     H   245_B      9   11  226      3    8   27   42   73  100  128  162  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     L   246_B     L   246_B      9   11  226      3    7   15   21   52   85  117  151  183  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     K   247_B     K   247_B      9   11  226      3    7   15   37   64   83  110  135  167  195  204  209  211  212  214  215  218  219  221  223 
LCS_GDT     G   248_B     G   248_B      9   11  226      3    8   21   46   75  102  139  169  187  195  204  209  211  212  214  215  218  219  221  223 
LCS_AVERAGE  LCS_A:  45.41  (   9.27   26.96  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     62     89    115    145    161    170    178    187    195    204    209    211    212    214    215    218    219    221    223 
GDT PERCENT_AT   9.73  27.43  39.38  50.88  64.16  71.24  75.22  78.76  82.74  86.28  90.27  92.48  93.36  93.81  94.69  95.13  96.46  96.90  97.79  98.67
GDT RMS_LOCAL    0.35   0.71   0.96   1.32   1.59   1.76   1.87   2.13   2.35   2.57   2.81   2.98   3.03   3.06   3.19   3.24   3.37   3.52   3.62   3.82
GDT RMS_ALL_AT   5.25   4.84   4.86   4.63   4.57   4.53   4.53   4.44   4.38   4.34   4.32   4.28   4.28   4.27   4.28   4.29   4.26   4.23   4.23   4.20

# Checking swapping
#   possible swapping detected:  Y    24_B      Y    24_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:  F    47_B      F    47_B
#   possible swapping detected:  F    57_B      F    57_B
#   possible swapping detected:  F    73_B      F    73_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  E    90_B      E    90_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:  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:  D   124_B      D   124_B
#   possible swapping detected:  F   128_B      F   128_B
#   possible swapping detected:  D   144_B      D   144_B
#   possible swapping detected:  E   147_B      E   147_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:  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:  F   201_B      F   201_B
#   possible swapping detected:  F   218_B      F   218_B
#   possible swapping detected:  E   223_B      E   223_B
#   possible swapping detected:  E   235_B      E   235_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     8.904     0    0.623   1.061     9.783    1.667   11.255
LGA    Y    24_B      Y    24_B     7.455     0    0.062   1.417    12.846   12.976    5.794
LGA    K    25_B      K    25_B     5.917     0    0.069   1.076    10.965   19.286   11.799
LGA    A    26_B      A    26_B     5.598     0    0.124   0.142     5.716   26.310   25.333
LGA    E    27_B      E    27_B     4.844     0    0.029   0.794     5.945   27.500   26.984
LGA    I    28_B      I    28_B     5.424     0    0.337   1.099     7.574   26.190   19.583
LGA    G    29_B      G    29_B     4.929     0    0.597   0.597     7.320   23.571   23.571
LGA    S    30_B      S    30_B     5.252     0    0.385   0.669     9.160   32.976   24.444
LGA    V    31_B      V    31_B     3.901     0    0.058   0.077     5.552   31.905   34.150
LGA    S    32_B      S    32_B     5.260     0    0.093   0.119     8.361   30.238   22.143
LGA    P    33_B      P    33_B     2.655     0    0.167   0.219     4.563   70.357   56.190
LGA    T    34_B      T    34_B     2.227     0    0.045   0.159     3.727   67.024   59.796
LGA    T    35_B      T    35_B     3.173     0    0.043   0.110     4.065   50.476   49.388
LGA    S    36_B      S    36_B     2.572     0    0.287   0.650     3.392   66.905   61.270
LGA    R    37_B      R    37_B     2.103     0    0.033   1.120     8.707   61.190   39.740
LGA    D    38_B      D    38_B     4.291     0    0.356   0.471     8.300   41.905   26.607
LGA    T    39_B      T    39_B     3.709     0    0.192   1.111     7.810   55.714   41.905
LGA    F    40_B      F    40_B     1.423     0    0.060   1.384     2.675   73.214   71.645
LGA    E    41_B      E    41_B     2.787     0    0.211   0.498     7.445   66.905   41.693
LGA    D    42_B      D    42_B     0.347     0    0.075   0.167     2.959   83.929   75.476
LGA    H    43_B      H    43_B     3.295     0    0.440   1.487    10.226   69.286   32.286
LGA    D    44_B      D    44_B     2.129     0    0.425   0.415     6.632   70.833   49.048
LGA    T    45_B      T    45_B     1.840     0    0.088   1.170     3.663   72.857   71.156
LGA    C    46_B      C    46_B     1.272     0    0.105   0.624     2.551   81.429   78.889
LGA    F    47_B      F    47_B     1.300     0    0.143   1.034     4.650   85.952   72.338
LGA    L    48_B      L    48_B     0.897     0    0.111   0.997     2.978   90.476   82.917
LGA    G    49_B      G    49_B     0.859     0    0.103   0.103     1.174   88.214   88.214
LGA    V    50_B      V    50_B     1.499     0    0.115   1.202     4.407   81.429   74.014
LGA    S    51_B      S    51_B     1.010     0    0.148   0.635     3.011   88.333   80.794
LGA    L    52_B      L    52_B     1.268     0    0.121   0.174     2.477   79.286   75.060
LGA    E    53_B      E    53_B     1.139     0    0.013   0.289     1.556   81.429   80.476
LGA    N    54_B      N    54_B     1.343     0    0.122   1.061     3.533   81.429   71.488
LGA    S    55_B      S    55_B     1.419     0    0.091   0.113     1.645   79.286   81.508
LGA    N    56_B      N    56_B     1.657     0    0.139   0.290     3.014   75.119   69.107
LGA    F    57_B      F    57_B     0.795     0    0.404   1.300     5.463   84.048   65.238
LGA    K    58_B      K    58_B     0.852     0    0.087   1.064     6.810   85.952   63.545
LGA    P    59_B      P    59_B     1.392     0    0.076   0.096     1.594   81.429   80.204
LGA    A    60_B      A    60_B     1.507     0    0.057   0.064     1.712   77.143   76.286
LGA    K    61_B      K    61_B     1.259     0    0.064   0.131     1.962   81.429   80.529
LGA    V    62_B      V    62_B     1.321     0    0.013   0.921     2.478   77.143   75.374
LGA    D    63_B      D    63_B     2.094     0    0.053   0.705     3.621   66.786   64.107
LGA    A    64_B      A    64_B     1.906     0    0.090   0.086     2.249   70.833   71.238
LGA    M    65_B      M    65_B     1.494     0    0.043   0.817     2.964   77.143   76.250
LGA    A    66_B      A    66_B     1.846     0    0.050   0.054     2.242   68.810   68.000
LGA    K    67_B      K    67_B     2.561     0    0.038   0.864     4.136   62.857   54.444
LGA    W    68_B      W    68_B     2.072     0    0.047   1.052     8.491   66.786   38.639
LGA    I    69_B      I    69_B     1.452     0    0.061   1.237     3.097   75.000   68.274
LGA    S    70_B      S    70_B     2.543     0    0.059   0.538     4.367   62.857   56.429
LGA    R    71_B      R    71_B     2.305     0    0.152   1.363     9.412   68.810   40.216
LGA    R    72_B      R    72_B     0.647     0    0.090   1.063     2.776   90.595   84.242
LGA    F    73_B      F    73_B     1.317     0    0.106   0.180     2.424   75.357   82.554
LGA    S    74_B      S    74_B     3.446     0    0.198   0.193     4.450   55.357   49.286
LGA    Q    75_B      Q    75_B     1.671     0    0.110   1.005     3.006   70.833   67.831
LGA    C    76_B      C    76_B     1.305     0    0.099   0.107     1.617   79.286   78.571
LGA    T    77_B      T    77_B     0.726     0    0.054   0.110     0.842   90.476   90.476
LGA    V    78_B      V    78_B     0.844     0    0.059   0.125     1.536   83.810   85.374
LGA    L    79_B      L    79_B     1.443     0    0.063   0.090     1.860   81.429   77.143
LGA    I    80_B      I    80_B     1.759     0    0.105   0.629     2.285   72.857   73.036
LGA    G    81_B      G    81_B     1.180     0    0.284   0.284     1.687   79.286   79.286
LGA    D    82_B      D    82_B     3.676     0    0.454   1.132     8.147   59.524   35.417
LGA    S    83_B      S    83_B     1.308     0    0.079   0.583     1.978   75.000   75.714
LGA    I    84_B      I    84_B     2.933     0    0.135   1.060     7.407   62.857   42.738
LGA    H    85_B      H    85_B     1.358     0    0.045   0.311     1.740   83.810   82.381
LGA    R    86_B      R    86_B     1.445     0    0.043   1.047     3.902   77.143   64.762
LGA    I    87_B      I    87_B     1.543     0    0.080   0.776     5.230   77.143   68.155
LGA    T    88_B      T    88_B     1.229     0    0.021   0.038     1.921   81.429   78.980
LGA    L    89_B      L    89_B     1.673     0    0.042   0.098     2.174   72.976   72.917
LGA    E    90_B      E    90_B     2.073     0    0.049   1.283     6.220   68.810   50.053
LGA    S    91_B      S    91_B     1.250     0    0.063   0.081     1.741   77.143   80.079
LGA    T    92_B      T    92_B     1.584     0    0.152   1.197     3.159   68.810   66.259
LGA    R    93_B      R    93_B     2.312     0    0.688   1.703     9.104   54.524   41.082
LGA    S    94_B      S    94_B     2.552     0    0.457   0.420     3.158   53.571   57.302
LGA    M    95_B      M    95_B     2.198     0    0.068   1.148     4.522   62.857   58.750
LGA    P    96_B      P    96_B     2.783     0    0.178   0.426     3.667   57.143   52.177
LGA    P    97_B      P    97_B     2.913     0    0.099   0.116     2.913   57.143   57.143
LGA    R    98_B      R    98_B     3.165     0    0.039   1.133     5.611   51.786   44.026
LGA    A    99_B      A    99_B     3.166     0    0.025   0.023     3.166   53.571   52.857
LGA    A   100_B      A   100_B     2.085     0    0.033   0.031     2.455   66.786   68.000
LGA    L   101_B      L   101_B     2.361     0    0.044   1.424     4.776   62.857   55.000
LGA    D   102_B      D   102_B     3.364     0    0.030   0.205     4.145   50.000   45.119
LGA    D   103_B      D   103_B     2.797     0    0.061   0.330     3.947   60.952   55.536
LGA    A   104_B      A   104_B     1.514     0    0.064   0.073     1.966   77.143   78.000
LGA    L   105_B      L   105_B     2.121     0    0.041   0.186     3.358   66.786   61.071
LGA    R   106_B      R   106_B     2.519     0    0.025   1.000     5.271   62.857   50.736
LGA    L   107_B      L   107_B     1.668     0    0.081   0.133     2.012   77.143   73.988
LGA    G   108_B      G   108_B     0.808     0    0.009   0.009     1.077   88.214   88.214
LGA    R   109_B      R   109_B     1.473     0    0.051   1.344     9.526   81.429   44.286
LGA    E   110_B      E   110_B     1.781     0    0.063   0.127     3.878   75.000   62.804
LGA    F   111_B      F   111_B     1.123     0    0.023   1.232     5.682   81.429   64.762
LGA    V   112_B      V   112_B     0.674     0    0.050   0.138     1.337   88.214   87.891
LGA    E   113_B      E   113_B     1.426     0    0.025   0.679     3.687   75.119   67.937
LGA    S   114_B      S   114_B     2.968     0    0.086   0.112     3.802   53.810   51.429
LGA    R   115_B      R   115_B     3.248     0    0.119   1.568    11.556   53.571   29.437
LGA    Q   116_B      Q   116_B     1.905     0    0.010   1.203     3.221   70.833   66.825
LGA    P   117_B      P   117_B     1.088     0    0.033   0.513     1.502   81.429   80.204
LGA    V   118_B      V   118_B     2.180     0    0.034   0.111     3.192   64.881   60.544
LGA    F   119_B      F   119_B     2.742     0    0.034   0.155     4.470   59.048   51.082
LGA    E   120_B      E   120_B     2.099     0    0.087   0.263     2.760   68.810   66.614
LGA    S   121_B      S   121_B     1.670     0    0.096   0.098     1.853   72.857   72.857
LGA    F   122_B      F   122_B     1.475     0    0.073   1.525     7.569   75.119   50.476
LGA    R   123_B      R   123_B     2.431     0    0.189   1.090     6.677   68.810   46.017
LGA    D   124_B      D   124_B     5.634     0    0.612   0.552     8.937   20.357   15.714
LGA    R   125_B      R   125_B    10.384     0    0.654   1.499    14.667    1.429    0.519
LGA    T   126_B      T   126_B     9.685     0    0.640   0.884    13.604    1.310    0.748
LGA    K   127_B      K   127_B     8.420     0    0.622   0.788     9.467    3.452    9.312
LGA    F   128_B      F   128_B     7.436     0    0.468   1.314    15.789   18.214    6.667
LGA    T   129_B      T   129_B     0.886     0    0.631   0.914     4.246   82.143   66.599
LGA    F   130_B      F   130_B     1.270     0    0.060   1.351     5.342   81.429   64.113
LGA    V   131_B      V   131_B     1.232     0    0.128   1.107     3.299   81.429   75.714
LGA    T   132_B      T   132_B     2.002     0    0.059   0.065     2.620   72.976   68.367
LGA    C   133_B      C   133_B     2.215     0    0.063   0.741     3.685   64.762   59.921
LGA    S   134_B      S   134_B     2.375     0    0.131   0.296     2.666   70.952   67.619
LGA    E   135_B      E   135_B     1.422     0    0.094   0.633     2.074   84.167   78.836
LGA    V   136_B      V   136_B     1.425     0    0.293   1.221     2.897   79.286   73.129
LGA    Q   137_B      Q   137_B     1.936     0    0.111   1.022     4.157   68.810   60.952
LGA    S   138_B      S   138_B     2.855     0    0.123   0.179     3.098   55.357   54.762
LGA    W   139_B      W   139_B     1.906     0    0.073   0.112     2.396   66.786   78.537
LGA    G   140_B      G   140_B     3.046     0    0.021   0.021     3.220   51.786   51.786
LGA    L   141_B      L   141_B     2.626     0    0.037   0.821     2.787   57.143   59.048
LGA    Y   142_B      Y   142_B     2.484     0    0.039   0.219     3.427   62.857   56.071
LGA    G   143_B      G   143_B     2.278     0    0.043   0.043     2.488   64.762   64.762
LGA    D   144_B      D   144_B     1.898     0    0.035   1.088     4.501   70.833   60.119
LGA    Y   145_B      Y   145_B     1.698     0    0.032   0.750     3.190   72.857   66.944
LGA    H   146_B      H   146_B     1.699     0    0.030   1.132     3.009   72.857   66.619
LGA    E   147_B      E   147_B     2.044     0    0.031   0.869     6.315   68.810   51.323
LGA    R   148_B      R   148_B     1.812     0    0.040   1.011     3.845   75.000   65.887
LGA    L   149_B      L   149_B     1.259     0    0.031   0.139     1.437   81.429   81.429
LGA    R   150_B      R   150_B     1.747     0    0.020   1.337     3.566   72.857   69.004
LGA    Q   151_B      Q   151_B     2.083     0    0.053   0.326     3.516   68.810   60.053
LGA    H   152_B      H   152_B     0.753     0    0.069   1.053     5.093   83.690   64.095
LGA    Y   153_B      Y   153_B     1.671     0    0.027   1.315     8.975   75.000   45.159
LGA    D   154_B      D   154_B     1.934     0    0.132   0.228     2.498   72.857   68.810
LGA    Q   155_B      Q   155_B     1.758     0    0.144   0.418     2.720   77.143   71.217
LGA    D   156_B      D   156_B     1.267     0    0.024   0.609     1.845   75.000   78.333
LGA    A   157_B      A   157_B     2.010     0    0.033   0.040     2.234   70.833   69.619
LGA    A   158_B      A   158_B     1.664     0    0.037   0.053     1.699   72.857   72.857
LGA    F   159_B      F   159_B     1.269     0    0.079   0.218     1.563   79.286   87.273
LGA    R   160_B      R   160_B     1.658     0    0.042   1.802     9.171   75.000   49.567
LGA    G   161_B      G   161_B     1.919     0    0.043   0.043     1.919   72.857   72.857
LGA    S   162_B      S   162_B     1.454     0    0.027   0.686     3.072   79.286   74.762
LGA    V   163_B      V   163_B     0.998     0    0.037   0.066     1.104   85.952   87.891
LGA    E   164_B      E   164_B     1.361     0    0.163   0.211     1.539   79.286   83.492
LGA    A   165_B      A   165_B     1.356     0    0.082   0.078     1.764   79.286   78.000
LGA    F   166_B      F   166_B     2.430     0    0.069   0.190     5.820   57.738   43.030
LGA    G   167_B      G   167_B     3.440     0    0.066   0.066     4.745   45.476   45.476
LGA    R   168_B      R   168_B     4.004     0    0.025   1.737     5.572   35.000   38.095
LGA    D   169_B      D   169_B     4.634     0    0.135   0.903     6.835   25.833   32.321
LGA    Y   170_B      Y   170_B     6.351     0    0.051   0.133     9.841   15.952    9.722
LGA    H   171_B      H   171_B     6.758     0    0.144   1.237     9.370    9.167   26.286
LGA    G   172_B      G   172_B     8.626     0    0.095   0.095    10.966    2.619    2.619
LGA    K   173_B      K   173_B    10.570     4    0.177   0.194    12.328    0.357    0.159
LGA    R   174_B      R   174_B    12.857     0    0.516   1.600    13.474    0.000    0.000
LGA    S   175_B      S   175_B    13.330     0    0.231   0.581    15.747    0.000    0.000
LGA    E   176_B      E   176_B    15.268     4    0.111   0.137    17.988    0.000    0.000
LGA    G   177_B      G   177_B    19.645     0    0.177   0.177    19.645    0.000    0.000
LGA    V   178_B      V   178_B    15.963     0    0.110   1.086    17.010    0.000    0.000
LGA    S   179_B      S   179_B    16.197     0    0.039   0.649    18.622    0.000    0.000
LGA    A   180_B      A   180_B    13.839     0    0.577   0.558    14.834    0.000    0.000
LGA    Q   181_B      Q   181_B    11.924     0    0.599   0.864    16.313    0.476    0.212
LGA    E   182_B      E   182_B     7.254     0    0.614   1.238    11.057   17.619    8.360
LGA    L   183_B      L   183_B     1.062     0    0.617   1.555     6.372   78.095   52.560
LGA    D   184_B      D   184_B     0.953     0    0.084   1.052     4.079   88.214   75.119
LGA    H   185_B      H   185_B     0.883     0    0.034   1.134     2.401   90.476   82.667
LGA    R   186_B      R   186_B     1.243     0    0.111   1.418     5.980   81.548   60.823
LGA    I   187_B      I   187_B     1.378     0    0.064   0.095     1.415   81.429   81.429
LGA    R   188_B      R   188_B     1.255     0    0.041   1.385     6.113   81.429   66.450
LGA    K   189_B      K   189_B     0.938     0    0.084   1.388     4.898   88.214   72.487
LGA    S   190_B      S   190_B     0.492     0    0.056   0.702     2.521   92.857   88.095
LGA    S   191_B      S   191_B     1.082     0    0.060   0.109     1.470   83.690   82.937
LGA    E   192_B      E   192_B     1.224     0    0.112   0.242     1.447   81.429   81.429
LGA    Y   193_B      Y   193_B     1.272     0    0.036   0.538     2.314   83.690   74.484
LGA    F   194_B      F   194_B     1.094     0    0.023   1.184     4.908   85.952   68.139
LGA    L   195_B      L   195_B     0.669     0    0.023   0.974     3.089   95.238   84.583
LGA    E   196_B      E   196_B     0.309     0    0.075   1.126     4.080  100.000   77.249
LGA    E   197_B      E   197_B     0.477     0    0.113   0.506     2.547   92.976   79.524
LGA    F   198_B      F   198_B     0.876     0    0.070   1.079     5.293   88.214   65.108
LGA    A   199_B      A   199_B     1.501     0    0.043   0.043     2.919   71.310   71.619
LGA    I   200_B      I   200_B     3.062     0    0.031   0.134     4.202   50.476   46.964
LGA    F   201_B      F   201_B     3.089     0    0.030   0.194     4.725   45.476   60.823
LGA    A   202_B      A   202_B     4.313     0    0.079   0.074     5.576   33.333   34.095
LGA    C   203_B      C   203_B     5.406     0    0.057   0.073     6.685   23.095   24.127
LGA    L   204_B      L   204_B     5.965     0    0.156   0.773    10.469   27.738   15.893
LGA    Q   205_B      Q   205_B     1.975     0    0.610   1.155     9.283   68.929   36.878
LGA    R   206_B      R   206_B     1.791     0    0.192   1.441     4.204   61.548   56.970
LGA    T   207_B      T   207_B     4.302     0    0.422   1.020     6.809   32.619   29.592
LGA    G   208_B      G   208_B     5.833     0    0.611   0.611     7.383   20.000   20.000
LGA    S   209_B      S   209_B     6.481     0    0.272   0.636    10.346   21.786   14.762
LGA    P   210_B      P   210_B     2.236     0    0.667   0.953     3.133   73.452   68.776
LGA    V   211_B      V   211_B     1.465     0    0.079   0.155     2.592   77.143   70.748
LGA    M   212_B      M   212_B     1.081     0    0.083   0.782     3.337   79.286   76.607
LGA    V   213_B      V   213_B     1.050     0    0.147   0.233     1.481   85.952   85.306
LGA    Y   214_B      Y   214_B     1.098     0    0.085   0.185     1.778   81.429   78.571
LGA    P   215_B      P   215_B     2.220     0    0.525   0.978     3.312   75.238   71.020
LGA    G   216_B      G   216_B     1.815     0    0.146   0.146     2.473   70.833   70.833
LGA    S   217_B      S   217_B     1.466     0    0.018   0.550     1.934   79.286   77.143
LGA    F   218_B      F   218_B     0.922     0    0.078   0.194     1.268   88.214   87.186
LGA    S   219_B      S   219_B     2.031     0    0.046   0.577     4.572   70.833   61.984
LGA    T   220_B      T   220_B     1.451     0    0.018   1.100     3.441   81.548   74.558
LGA    L   221_B      L   221_B     1.059     0    0.104   0.205     2.027   83.690   80.476
LGA    S   222_B      S   222_B     2.451     0    0.036   0.056     3.093   64.881   61.111
LGA    E   223_B      E   223_B     2.400     0    0.031   1.017     3.695   66.786   59.101
LGA    I   224_B      I   224_B     1.027     0    0.045   0.127     1.379   81.429   86.012
LGA    A   225_B      A   225_B     2.075     0    0.085   0.079     2.582   66.786   64.857
LGA    Q   226_B      Q   226_B     2.731     0    0.216   0.678     4.850   62.857   50.053
LGA    G   227_B      G   227_B     1.969     0    0.132   0.132     2.333   66.786   66.786
LGA    K   228_B      K   228_B     2.187     0    0.222   1.147     8.003   62.857   42.116
LGA    H   229_B      H   229_B     2.059     0    0.398   0.442     2.181   68.810   66.381
LGA    P   230_B      P   230_B     3.017     0    0.071   0.274     5.708   65.357   48.639
LGA    G   231_B      G   231_B     3.830     0    0.677   0.677     5.401   42.857   42.857
LGA    A   232_B      A   232_B     5.403     0    0.152   0.213     6.505   30.238   26.857
LGA    P   233_B      P   233_B     6.474     0    0.110   0.789     9.941   19.286   11.837
LGA    E   234_B      E   234_B     4.694     0    0.665   1.078     8.682   28.810   21.799
LGA    E   235_B      E   235_B     8.101     0    0.083   1.698    14.793    7.500    3.333
LGA    L   236_B      L   236_B     9.469     0    0.158   0.168    15.648    2.976    1.488
LGA    R   237_B      R   237_B     6.873     0    0.596   2.147    10.937   23.214   11.212
LGA    D   238_B      D   238_B     5.706     0    0.674   0.715     8.586   22.619   14.702
LGA    L   239_B      L   239_B     5.755     0    0.051   0.096     6.042   21.429   20.893
LGA    I   240_B      I   240_B     6.146     0    0.129   1.194     8.652   18.214   17.917
LGA    V   241_B      V   241_B     6.215     0    0.098   0.089     7.007   18.214   15.646
LGA    V   242_B      V   242_B     5.944     0    0.123   0.190     6.170   19.286   19.592
LGA    S   243_B      S   243_B     6.436     0    0.097   0.700     8.800   17.143   13.571
LGA    L   244_B      L   244_B     5.669     0    0.030   0.104     6.246   20.357   20.893
LGA    H   245_B      H   245_B     6.061     0    0.153   1.164     6.911   20.357   17.667
LGA    L   246_B      L   246_B     6.321     0    0.074   0.084     7.193   14.405   16.310
LGA    K   247_B      K   247_B     7.428     0    0.122   0.276     9.553   12.500    7.407
LGA    G   248_B      G   248_B     6.686     0    0.084   0.084     7.453   11.667   11.667

# 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):     4.189          4.163                  4.688           59.628   53.698

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  226    4.0    178    2.13    63.053    58.656     7.965

LGA_LOCAL      RMSD:   2.135  Number of atoms:  178  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.437  Number of assigned atoms:  226 
Std_ASGN_ATOMS RMSD:   4.189  Standard rmsd on all 226 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.840747 * X  +  -0.151171 * Y  +  -0.519897 * Z  +  43.023655
  Y_new =  -0.363649 * X  +   0.869071 * Y  +   0.335372 * Z  +  55.862438
  Z_new =   0.401129 * X  +   0.471023 * Y  +  -0.785642 * Z  + -62.196785 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.733360 -0.412749  2.601512   [DEG: -156.6100  -23.6488  149.0557 ]
ZXZ: -2.143701  2.474529  0.705429   [DEG: -122.8250  141.7801   40.4181 ]
 
# END of job
