
#######################################################
#                                                     #
#                        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 ( 1930),  selected  230 , name one
# Molecule2: number of CA atoms  230 ( 1795),  selected  230 , 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:   230      15_B - 244_B       1.92     1.92
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   230      15_B - 244_B       1.92     1.92
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85      31_B - 115_B       1.00     2.44
  LONGEST_CONTINUOUS_SEGMENT:    85      32_B - 116_B       1.00     2.48
  LCS_AVERAGE:     31.37

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  230
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     A    15_B     A    15_B     70  230  230     27  101  163  185  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F    16_B     F    16_B     70  230  230     25  119  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y    17_B     Y    17_B     70  230  230     48  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    18_B     E    18_B     70  230  230     27  110  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    19_B     L    19_B     70  230  230     18   99  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    20_B     E    20_B     70  230  230     14  101  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F    21_B     F    21_B     70  230  230     30  110  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G    22_B     G    22_B     70  230  230     19  107  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     P    23_B     P    23_B     70  230  230     10  101  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    24_B     R    24_B     70  230  230     10  111  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T    25_B     T    25_B     70  230  230     13  101  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     I    26_B     I    26_B     70  230  230      9   99  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     M    27_B     M    27_B     70  230  230     10   96  163  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T    28_B     T    28_B     70  230  230     32  111  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    29_B     L    29_B     83  230  230     48  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    30_B     A    30_B     84  230  230     48  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     N    31_B     N    31_B     85  230  230     56  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F    32_B     F    32_B     85  230  230     67  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     P    33_B     P    33_B     85  230  230     67  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D    34_B     D    34_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D    35_B     D    35_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V    36_B     V    36_B     85  230  230     56  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    37_B     L    37_B     85  230  230     46  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     P    38_B     P    38_B     85  230  230     44  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    39_B     L    39_B     85  230  230     44  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    40_B     L    40_B     85  230  230     27  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Q    41_B     Q    41_B     85  230  230     51  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     M    42_B     M    42_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    43_B     E    43_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S    44_B     S    44_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    45_B     L    45_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     M    46_B     M    46_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T    47_B     T    47_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F    48_B     F    48_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    49_B     E    49_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    50_B     A    50_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     M    51_B     M    51_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    52_B     A    52_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y    53_B     Y    53_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    54_B     L    54_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    55_B     R    55_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     C    56_B     C    56_B     85  230  230     66  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D    57_B     D    57_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    58_B     A    58_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    59_B     L    59_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V    60_B     V    60_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    61_B     E    61_B     85  230  230     70  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    62_B     L    62_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G    63_B     G    63_B     85  230  230     68  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     C    64_B     C    64_B     85  230  230     64  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y    65_B     Y    65_B     85  230  230     39  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D    66_B     D    66_B     85  230  230      9   55  156  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G    67_B     G    67_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    68_B     R    68_B     85  230  230     21  106  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    69_B     A    69_B     85  230  230     56  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    70_B     L    70_B     85  230  230     71  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    71_B     E    71_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     I    72_B     I    72_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    73_B     A    73_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    74_B     R    74_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    75_B     L    75_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    76_B     L    76_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     N    77_B     N    77_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    78_B     A    78_B     85  230  230     68  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    79_B     R    79_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y    80_B     Y    80_B     85  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    81_B     L    81_B     85  230  230     68  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G    82_B     G    82_B     85  230  230     62  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V    83_B     V    83_B     85  230  230     35  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D    84_B     D    84_B     85  230  230     29  108  162  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    85_B     L    85_B     85  230  230      7   64  121  175  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D    86_B     D    86_B     85  230  230     24   61  129  175  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Q    87_B     Q    87_B     85  230  230     24   74  141  181  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    88_B     R    88_B     85  230  230     23   66  138  175  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A    89_B     A    89_B     85  230  230     29   77  145  181  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     I    90_B     I    90_B     85  230  230     29   90  159  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    91_B     E    91_B     85  230  230     27   90  151  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T    92_B     T    92_B     85  230  230     27   77  147  181  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L    93_B     L    93_B     85  230  230     29   96  161  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    94_B     R    94_B     85  230  230     32  109  162  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T    95_B     T    95_B     85  230  230     29   90  153  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    96_B     R    96_B     85  230  230     29   90  158  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     I    97_B     I    97_B     85  230  230     29  110  162  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E    98_B     E    98_B     85  230  230     29  110  162  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R    99_B     R    99_B     85  230  230     29   77  147  181  199  213  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E   100_B     E   100_B     85  230  230     29  106  159  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   101_B     G   101_B     85  230  230     26  109  159  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     M   102_B     M   102_B     85  230  230     26  110  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   103_B     S   103_B     85  230  230     26  110  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   104_B     D   104_B     85  230  230     28  124  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   105_B     R   105_B     85  230  230     28  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   106_B     A   106_B     85  230  230     64  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   107_B     D   107_B     85  230  230     63  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   108_B     T   108_B     85  230  230     55  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   109_B     V   109_B     85  230  230     30  121  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   110_B     V   110_B     85  230  230     29  111  162  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   111_B     D   111_B     85  230  230     29  111  162  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   112_B     D   112_B     85  230  230     29   91  153  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     I   113_B     I   113_B     85  230  230      6   60  139  177  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   114_B     L   114_B     85  230  230      9   75  150  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     N   115_B     N   115_B     85  230  230      6   44  120  175  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     H   116_B     H   116_B     85  230  230      6   27   91  171  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   117_B     T   117_B      4  230  230      3    4    4    5   25   36   65  111  174  215  226  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   118_B     R   118_B      4  230  230      3    4   10   26   59  122  157  197  212  225  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   119_B     R   119_B      4  230  230      3   20   53   82  115  182  204  218  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   120_B     G   120_B      4  230  230      3    4   25   55   81  171  198  220  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   121_B     A   121_B      4  230  230     13   31  108  165  190  207  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   122_B     S   122_B      4  230  230      3    5    6   12   89  171  193  218  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   123_B     V   123_B     28  230  230     40  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   124_B     G   124_B     28  230  230     45  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   125_B     S   125_B     28  230  230     45  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   126_B     R   126_B     28  230  230     56  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   127_B     A   127_B     28  230  230     39  124  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   128_B     L   128_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y   129_B     Y   129_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   130_B     L   130_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   131_B     L   131_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     P   132_B     P   132_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F   133_B     F   133_B     28  230  230     19  121  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     N   134_B     N   134_B     28  230  230     22  110  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   135_B     L   135_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   136_B     L   136_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   137_B     G   137_B     28  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     N   138_B     N   138_B     28  230  230     69  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F   139_B     F   139_B     28  230  230     36  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   140_B     R   140_B     28  230  230     30  112  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E   141_B     E   141_B     28  230  230     39  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     P   142_B     P   142_B     28  230  230     44  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     K   143_B     K   143_B     28  230  230     21  114  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   144_B     R   144_B     28  230  230     40  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   145_B     L   145_B     28  230  230     46  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   146_B     L   146_B     28  230  230     39  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   147_B     D   147_B     28  230  230     37  122  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   148_B     S   148_B     28  230  230     37  118  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   149_B     L   149_B     28  230  230     13  107  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   150_B     A   150_B     28  230  230      5   19   81  173  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E   151_B     E   151_B     28  230  230      5    8   45  132  198  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   152_B     R   152_B     24  230  230      5   19   75  165  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   153_B     S   153_B     28  230  230      3    4   20  112  184  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   154_B     V   154_B     28  230  230     10   33   86  174  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   155_B     A   155_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   156_B     A   156_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   157_B     V   157_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   158_B     V   158_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   159_B     S   159_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   160_B     V   160_B     84  230  230     68  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F   161_B     F   161_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   162_B     G   162_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   163_B     D   163_B     84  230  230     56  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   164_B     S   164_B     84  230  230     45  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   165_B     A   165_B     84  230  230     53  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E   166_B     E   166_B     84  230  230     44  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   167_B     A   167_B     84  230  230     51  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   168_B     T   168_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   169_B     R   169_B     84  230  230     63  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   170_B     V   170_B     84  230  230     39  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   171_B     R   171_B     84  230  230     60  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Q   172_B     Q   172_B     84  230  230     47  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   173_B     S   173_B     84  230  230     38  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y   174_B     Y   174_B     84  230  230     55  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y   175_B     Y   175_B     84  230  230     65  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   176_B     R   176_B     84  230  230     55  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   177_B     R   177_B     84  230  230     46  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     C   178_B     C   178_B     84  230  230     59  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   179_B     G   179_B     84  230  230     47  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   180_B     V   180_B     84  230  230     44  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Q   181_B     Q   181_B     84  230  230      3   15   45   73  135  195  219  221  223  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   182_B     G   182_B     84  230  230     18  108  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   183_B     L   183_B     84  230  230     42  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E   184_B     E   184_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   185_B     L   185_B     84  230  230     68  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     H   186_B     H   186_B     84  230  230     70  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   187_B     T   187_B     84  230  230     45  116  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   188_B     R   188_B     84  230  230     32  104  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   189_B     D   189_B     84  230  230     19   72  129  181  198  214  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   190_B     D   190_B     84  230  230     30  121  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   191_B     G   191_B     84  230  230     45  125  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   192_B     T   192_B     84  230  230     45  125  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   193_B     V   193_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F   194_B     F   194_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   195_B     T   195_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   196_B     G   196_B     84  230  230     44  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   197_B     S   197_B     84  230  230      6   50  162  182  199  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   198_B     D   198_B     84  230  230     18  106  162  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   199_B     G   199_B     84  230  230     18  106  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F   200_B     F   200_B     84  230  230     44  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y   201_B     Y   201_B     84  230  230     48  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   202_B     S   202_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   203_B     R   203_B     84  230  230     40  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   204_B     S   204_B     84  230  230     60  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Y   205_B     Y   205_B     84  230  230     38  127  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   206_B     S   206_B     84  230  230     40  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   207_B     R   207_B     84  230  230     40  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   208_B     A   208_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     C   209_B     C   209_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   210_B     L   210_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     H   211_B     H   211_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   212_B     A   212_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   213_B     L   213_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   214_B     L   214_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   215_B     A   215_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E   216_B     E   216_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     C   217_B     C   217_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   218_B     G   218_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   219_B     L   219_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   220_B     T   220_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   221_B     V   221_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   222_B     V   222_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     R   223_B     R   223_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   224_B     S   224_B     84  230  230     12   69  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   225_B     A   225_B     84  230  230     52  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     S   226_B     S   226_B     84  230  230     22  126  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     N   227_B     N   227_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   228_B     L   228_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     F   229_B     F   229_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   230_B     A   230_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     H   231_B     H   231_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     C   232_B     C   232_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   233_B     V   233_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     T   234_B     T   234_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     V   235_B     V   235_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     L   236_B     L   236_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     P   237_B     P   237_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     E   238_B     E   238_B     84  230  230     72  128  164  186  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   239_B     G   239_B     58  230  230     28  104  160  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     A   240_B     A   240_B     51  230  230      9   76  153  183  200  215  219  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     D   241_B     D   241_B     41  230  230      4    8   15   49   84  184  218  221  224  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     Q   242_B     Q   242_B      8  230  230      4    8   13   18  108  173  202  219  222  226  227  228  229  229  230  230  230  230  230  230 
LCS_GDT     G   243_B     G   243_B      8  230  230      4    8   11   18   33   50   60  103  208  220  224  227  229  229  230  230  230  230  230  230 
LCS_GDT     F   244_B     F   244_B      0  230  230      0    0    3    9   15   19   23   29   72  115  185  214  227  229  230  230  230  230  230  230 
LCS_AVERAGE  LCS_A:  77.12  (  31.37  100.00  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     72    128    164    186    200    215    219    221    224    226    227    228    229    229    230    230    230    230    230    230 
GDT PERCENT_AT  31.30  55.65  71.30  80.87  86.96  93.48  95.22  96.09  97.39  98.26  98.70  99.13  99.57  99.57 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.59   0.80   0.98   1.15   1.37   1.42   1.46   1.58   1.65   1.70   1.75   1.83   1.83   1.92   1.92   1.92   1.92   1.92   1.92
GDT RMS_ALL_AT   1.96   1.98   1.94   1.99   1.95   1.94   1.94   1.94   1.93   1.93   1.93   1.93   1.93   1.93   1.92   1.92   1.92   1.92   1.92   1.92

# Checking swapping
#   possible swapping detected:  F    21_B      F    21_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  F    48_B      F    48_B
#   possible swapping detected:  Y    53_B      Y    53_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    84_B      D    84_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  Y   129_B      Y   129_B
#   possible swapping detected:  F   139_B      F   139_B
#   possible swapping detected:  F   161_B      F   161_B
#   possible swapping detected:  Y   175_B      Y   175_B
#   possible swapping detected:  E   184_B      E   184_B
#   possible swapping detected:  D   189_B      D   189_B
#   possible swapping detected:  D   190_B      D   190_B
#   possible swapping detected:  F   194_B      F   194_B
#   possible swapping detected:  Y   205_B      Y   205_B
#   possible swapping detected:  E   216_B      E   216_B
#   possible swapping detected:  F   229_B      F   229_B
#   possible swapping detected:  E   238_B      E   238_B
#   possible swapping detected:  F   244_B      F   244_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    15_B      A    15_B     2.700     0    0.118   0.125     2.961   60.952   60.190
LGA    F    16_B      F    16_B     1.929     0    0.065   0.125     2.066   68.810   72.164
LGA    Y    17_B      Y    17_B     1.621     0    0.179   0.299     3.013   66.905   69.921
LGA    E    18_B      E    18_B     2.636     0    0.035   0.189     3.571   57.262   52.540
LGA    L    19_B      L    19_B     2.668     0    0.039   0.141     3.199   57.143   56.250
LGA    E    20_B      E    20_B     2.713     0    0.089   0.843     3.472   57.143   55.556
LGA    F    21_B      F    21_B     2.289     0    0.231   1.330     7.700   62.857   43.896
LGA    G    22_B      G    22_B     2.217     0    0.171   0.171     2.711   62.857   62.857
LGA    P    23_B      P    23_B     2.344     0    0.026   0.085     2.557   62.857   64.830
LGA    R    24_B      R    24_B     2.085     0    0.047   1.162     4.415   64.762   61.991
LGA    T    25_B      T    25_B     2.164     0    0.049   0.107     2.566   68.810   65.986
LGA    I    26_B      I    26_B     1.931     0    0.040   0.729     4.754   72.857   63.690
LGA    M    27_B      M    27_B     2.136     0    0.135   0.832     3.154   68.810   65.119
LGA    T    28_B      T    28_B     1.924     0    0.030   0.051     2.287   75.000   70.612
LGA    L    29_B      L    29_B     1.401     0    0.048   1.061     3.616   79.286   72.440
LGA    A    30_B      A    30_B     1.513     0    0.049   0.054     1.766   79.286   78.000
LGA    N    31_B      N    31_B     0.976     0    0.020   0.162     1.378   88.214   84.821
LGA    F    32_B      F    32_B     0.618     0    0.078   0.522     2.100   90.476   84.892
LGA    P    33_B      P    33_B     0.656     0    0.066   0.079     0.884   90.476   90.476
LGA    D    34_B      D    34_B     0.550     0    0.074   0.244     1.153   95.238   90.595
LGA    D    35_B      D    35_B     0.505     0    0.050   0.240     0.797   90.476   92.857
LGA    V    36_B      V    36_B     0.865     0    0.064   0.127     1.326   88.214   87.891
LGA    L    37_B      L    37_B     1.052     0    0.043   0.278     1.961   88.214   81.607
LGA    P    38_B      P    38_B     0.910     0    0.111   0.135     1.028   90.476   89.184
LGA    L    39_B      L    39_B     0.958     0    0.089   0.950     4.534   90.476   73.036
LGA    L    40_B      L    40_B     1.143     0    0.048   1.402     4.673   85.952   70.476
LGA    Q    41_B      Q    41_B     0.826     0    0.021   0.756     2.497   90.476   84.656
LGA    M    42_B      M    42_B     0.206     0    0.023   0.104     0.985  100.000   97.619
LGA    E    43_B      E    43_B     0.513     0    0.033   0.191     0.685   92.857   95.767
LGA    S    44_B      S    44_B     0.495     0    0.030   0.054     0.790   97.619   95.238
LGA    L    45_B      L    45_B     0.265     0    0.041   0.075     0.807  100.000   96.429
LGA    M    46_B      M    46_B     0.427     0    0.027   0.599     1.537  100.000   94.226
LGA    T    47_B      T    47_B     0.521     0    0.020   0.082     0.802   95.238   93.197
LGA    F    48_B      F    48_B     0.420     0    0.020   1.154     5.056   95.238   72.641
LGA    E    49_B      E    49_B     0.480     0    0.053   0.728     3.225  100.000   84.392
LGA    A    50_B      A    50_B     0.381     0    0.022   0.026     0.573   97.619   98.095
LGA    M    51_B      M    51_B     0.650     0    0.022   0.200     1.572   90.476   88.274
LGA    A    52_B      A    52_B     0.635     0    0.025   0.027     0.689   90.476   90.476
LGA    Y    53_B      Y    53_B     0.427     0    0.038   1.219     8.449  100.000   60.794
LGA    L    54_B      L    54_B     0.658     0    0.020   0.085     1.490   90.476   87.083
LGA    R    55_B      R    55_B     0.806     0    0.020   0.588     1.941   88.214   81.602
LGA    C    56_B      C    56_B     0.948     0    0.064   0.100     1.153   88.214   87.460
LGA    D    57_B      D    57_B     0.493     0    0.054   1.100     4.410   95.238   80.000
LGA    A    58_B      A    58_B     0.517     0    0.055   0.067     0.581   95.238   94.286
LGA    L    59_B      L    59_B     0.227     0    0.019   0.053     0.441  100.000  100.000
LGA    V    60_B      V    60_B     0.286     0    0.116   0.113     0.563   97.619   98.639
LGA    E    61_B      E    61_B     0.330     0    0.063   0.088     0.602   97.619   96.825
LGA    L    62_B      L    62_B     0.259     0    0.027   1.361     3.546  100.000   82.262
LGA    G    63_B      G    63_B     0.397     0    0.073   0.073     0.489  100.000  100.000
LGA    C    64_B      C    64_B     0.782     0    0.491   0.532     3.029   78.095   80.714
LGA    Y    65_B      Y    65_B     0.803     0    0.365   1.125     9.891   81.786   47.262
LGA    D    66_B      D    66_B     1.675     0    0.139   0.155     3.586   79.286   67.440
LGA    G    67_B      G    67_B     0.653     0    0.281   0.281     0.914   90.476   90.476
LGA    R    68_B      R    68_B     1.737     0    0.084   0.716     4.089   72.976   57.965
LGA    A    69_B      A    69_B     0.624     0    0.113   0.119     0.909   90.476   90.476
LGA    L    70_B      L    70_B     0.516     0    0.059   0.145     0.835   90.476   92.857
LGA    E    71_B      E    71_B     0.274     0    0.359   1.011     3.771   90.833   72.804
LGA    I    72_B      I    72_B     0.492     0    0.026   0.065     0.741   95.238   96.429
LGA    A    73_B      A    73_B     0.447     0    0.053   0.059     0.488  100.000  100.000
LGA    R    74_B      R    74_B     0.288     0    0.043   0.652     3.259  100.000   85.108
LGA    L    75_B      L    75_B     0.335     0    0.103   0.121     0.612   97.619   98.810
LGA    L    76_B      L    76_B     0.412     0    0.064   0.138     1.052   97.619   92.917
LGA    N    77_B      N    77_B     0.250     0    0.031   0.054     0.445  100.000  100.000
LGA    A    78_B      A    78_B     0.488     0    0.046   0.054     0.579   97.619   96.190
LGA    R    79_B      R    79_B     0.501     0    0.100   1.272     5.178   95.238   69.394
LGA    Y    80_B      Y    80_B     0.310     0    0.084   0.245     0.796   95.238   95.238
LGA    L    81_B      L    81_B     0.458     0    0.033   0.201     1.071  100.000   94.107
LGA    G    82_B      G    82_B     0.680     0    0.069   0.069     1.376   88.214   88.214
LGA    V    83_B      V    83_B     0.992     0    0.044   0.123     1.250   88.214   86.599
LGA    D    84_B      D    84_B     1.793     0    0.057   0.477     2.754   66.905   67.917
LGA    L    85_B      L    85_B     2.974     0    0.167   0.313     4.060   53.810   50.298
LGA    D    86_B      D    86_B     3.237     0    0.195   0.777     4.320   57.262   52.083
LGA    Q    87_B      Q    87_B     2.890     0    0.076   1.201     4.754   57.143   52.222
LGA    R    88_B      R    88_B     3.196     0    0.024   0.908     8.664   53.571   35.325
LGA    A    89_B      A    89_B     2.689     0    0.031   0.032     2.926   60.952   60.190
LGA    I    90_B      I    90_B     2.146     0    0.074   0.114     2.379   66.786   67.798
LGA    E    91_B      E    91_B     2.472     0    0.022   0.938     5.251   64.762   52.646
LGA    T    92_B      T    92_B     2.727     0    0.024   0.039     3.131   60.952   58.299
LGA    L    93_B      L    93_B     1.952     0    0.018   0.079     2.231   70.833   73.988
LGA    R    94_B      R    94_B     1.681     0    0.032   0.216     2.604   72.857   69.957
LGA    T    95_B      T    95_B     2.300     0    0.049   0.085     2.589   64.762   62.585
LGA    R    96_B      R    96_B     2.180     0    0.024   0.348     2.242   66.786   72.251
LGA    I    97_B      I    97_B     1.542     0    0.030   0.063     1.749   72.857   78.274
LGA    E    98_B      E    98_B     1.677     0    0.029   1.139     5.412   68.810   55.397
LGA    R    99_B      R    99_B     2.517     0    0.021   0.148     4.053   60.952   52.857
LGA    E   100_B      E   100_B     2.121     0    0.021   0.059     2.182   64.762   69.312
LGA    G   101_B      G   101_B     1.877     0    0.150   0.150     1.942   72.857   72.857
LGA    M   102_B      M   102_B     1.469     0    0.030   0.103     1.665   79.286   80.357
LGA    S   103_B      S   103_B     1.255     0    0.069   0.663     1.638   83.690   83.016
LGA    D   104_B      D   104_B     1.433     0    0.123   1.003     4.148   79.286   65.952
LGA    R   105_B      R   105_B     1.141     0    0.305   1.354     5.558   79.286   67.749
LGA    A   106_B      A   106_B     0.598     0    0.068   0.074     0.909   90.476   90.476
LGA    D   107_B      D   107_B     0.675     0    0.049   0.768     2.846   90.476   79.940
LGA    T   108_B      T   108_B     0.878     0    0.047   0.122     1.345   90.476   87.891
LGA    V   109_B      V   109_B     1.283     0    0.100   1.232     2.836   79.286   73.265
LGA    V   110_B      V   110_B     1.855     0    0.113   0.128     2.422   70.833   68.231
LGA    D   111_B      D   111_B     1.848     0    0.054   0.263     2.040   68.810   69.821
LGA    D   112_B      D   112_B     2.366     0    0.172   0.441     3.038   59.167   63.095
LGA    I   113_B      I   113_B     2.681     0    0.073   1.415     5.497   59.048   50.000
LGA    L   114_B      L   114_B     2.300     0    0.172   0.459     3.138   59.167   70.476
LGA    N   115_B      N   115_B     3.229     0    0.338   0.637     4.474   57.262   47.976
LGA    H   116_B      H   116_B     3.324     0    0.540   1.518     5.565   50.119   44.095
LGA    T   117_B      T   117_B     6.249     0    0.142   0.986     9.963   18.452   11.973
LGA    R   118_B      R   118_B     6.629     0    0.108   0.197    11.209   15.476    7.403
LGA    R   119_B      R   119_B     5.433     0    0.312   0.824    11.857   27.619   11.732
LGA    G   120_B      G   120_B     5.332     0    0.622   0.622     6.358   25.238   25.238
LGA    A   121_B      A   121_B     3.715     0    0.055   0.067     3.901   43.333   44.667
LGA    S   122_B      S   122_B     5.241     0    0.441   0.810     8.801   34.524   25.714
LGA    V   123_B      V   123_B     1.324     0    0.624   0.727     2.818   69.286   70.884
LGA    G   124_B      G   124_B     1.025     0    0.107   0.107     1.524   79.286   79.286
LGA    S   125_B      S   125_B     1.051     0    0.073   0.564     2.214   81.548   78.730
LGA    R   126_B      R   126_B     1.048     0    0.088   1.353     7.593   85.952   62.987
LGA    A   127_B      A   127_B     1.360     0    0.103   0.138     1.570   79.286   79.714
LGA    L   128_B      L   128_B     0.530     0    0.031   0.573     1.402   95.238   91.726
LGA    Y   129_B      Y   129_B     0.643     0    0.132   0.422     2.233   88.452   81.825
LGA    L   130_B      L   130_B     0.439     0    0.041   0.066     0.582   95.238   96.429
LGA    L   131_B      L   131_B     0.412     0    0.019   0.097     0.647   97.619   95.238
LGA    P   132_B      P   132_B     0.475     0    0.063   0.126     0.818   95.238   94.558
LGA    F   133_B      F   133_B     1.096     0    0.536   0.872     4.231   75.833   64.459
LGA    N   134_B      N   134_B     1.307     0    0.159   1.244     5.725   83.690   62.917
LGA    L   135_B      L   135_B     0.488     0    0.067   0.144     0.687   95.238   96.429
LGA    L   136_B      L   136_B     0.517     0    0.095   0.156     1.097   90.595   94.107
LGA    G   137_B      G   137_B     0.659     0    0.025   0.025     0.928   90.476   90.476
LGA    N   138_B      N   138_B     0.766     0    0.171   0.811     2.532   90.476   85.179
LGA    F   139_B      F   139_B     1.613     0    0.086   0.091     1.899   75.000   77.532
LGA    R   140_B      R   140_B     2.219     0    0.091   1.572     8.902   66.786   45.281
LGA    E   141_B      E   141_B     1.382     0    0.074   0.637     2.330   81.548   75.873
LGA    P   142_B      P   142_B     0.957     0    0.084   0.376     2.350   88.214   82.993
LGA    K   143_B      K   143_B     1.283     0    0.043   1.168     3.914   81.429   76.349
LGA    R   144_B      R   144_B     0.903     0    0.080   1.050     4.871   88.214   77.316
LGA    L   145_B      L   145_B     0.793     0    0.040   0.107     0.870   90.476   92.857
LGA    L   146_B      L   146_B     0.892     0    0.017   0.152     0.999   90.476   90.476
LGA    D   147_B      D   147_B     1.195     0    0.047   0.218     1.709   81.429   80.357
LGA    S   148_B      S   148_B     1.175     0    0.093   0.603     2.187   81.429   78.651
LGA    L   149_B      L   149_B     1.361     0    0.121   1.349     3.551   77.143   72.381
LGA    A   150_B      A   150_B     2.570     0    0.061   0.069     3.256   59.048   57.238
LGA    E   151_B      E   151_B     3.480     0    0.224   0.951     7.355   50.000   33.862
LGA    R   152_B      R   152_B     3.076     0    0.644   1.128     8.812   45.833   35.455
LGA    S   153_B      S   153_B     3.394     0    0.415   0.748     6.858   61.429   46.746
LGA    V   154_B      V   154_B     2.665     0    0.669   0.917     6.143   61.667   45.170
LGA    A   155_B      A   155_B     0.610     0    0.032   0.035     1.007   90.595   92.476
LGA    A   156_B      A   156_B     0.343     0    0.061   0.064     0.450  100.000  100.000
LGA    V   157_B      V   157_B     0.378     0    0.024   0.065     0.416  100.000  100.000
LGA    V   158_B      V   158_B     0.429     0    0.088   0.105     0.673   97.619   95.918
LGA    S   159_B      S   159_B     0.324     0    0.085   0.569     1.837  100.000   95.476
LGA    V   160_B      V   160_B     0.623     0    0.091   1.090     2.528   90.476   80.952
LGA    F   161_B      F   161_B     0.458     0    0.027   0.060     0.970   95.238   92.208
LGA    G   162_B      G   162_B     0.804     0    0.028   0.028     0.907   90.476   90.476
LGA    D   163_B      D   163_B     1.212     0    0.096   1.187     3.484   81.429   73.274
LGA    S   164_B      S   164_B     1.330     0    0.027   0.027     1.330   81.429   82.937
LGA    A   165_B      A   165_B     1.354     0    0.024   0.028     1.502   81.429   79.714
LGA    E   166_B      E   166_B     1.191     0    0.019   1.187     4.204   81.429   70.317
LGA    A   167_B      A   167_B     0.968     0    0.079   0.083     1.136   85.952   86.857
LGA    T   168_B      T   168_B     0.772     0    0.054   0.068     0.913   90.476   90.476
LGA    R   169_B      R   169_B     0.851     0    0.021   1.227     6.648   90.476   64.069
LGA    V   170_B      V   170_B     0.829     0    0.019   0.053     0.836   90.476   90.476
LGA    R   171_B      R   171_B     0.739     0    0.050   1.189     4.360   90.476   81.645
LGA    Q   172_B      Q   172_B     0.777     0    0.049   0.568     2.930   90.476   78.201
LGA    S   173_B      S   173_B     0.803     0    0.023   0.697     2.067   90.476   86.190
LGA    Y   174_B      Y   174_B     0.693     0    0.021   0.153     1.006   90.476   89.722
LGA    Y   175_B      Y   175_B     0.639     0    0.070   0.159     0.932   90.476   90.476
LGA    R   176_B      R   176_B     0.742     0    0.022   0.258     2.218   90.476   81.732
LGA    R   177_B      R   177_B     0.717     0    0.028   1.081     2.956   90.476   85.022
LGA    C   178_B      C   178_B     0.655     0    0.217   0.224     1.003   88.214   88.968
LGA    G   179_B      G   179_B     1.096     0    0.262   0.262     1.096   88.214   88.214
LGA    V   180_B      V   180_B     1.161     0    0.223   0.251     2.334   75.357   79.252
LGA    Q   181_B      Q   181_B     4.226     0    0.605   0.931     5.941   36.429   31.376
LGA    G   182_B      G   182_B     1.897     0    0.021   0.021     2.177   75.119   75.119
LGA    L   183_B      L   183_B     0.870     0    0.030   0.080     1.659   88.214   84.881
LGA    E   184_B      E   184_B     0.279     0    0.045   0.077     0.898  100.000   95.767
LGA    L   185_B      L   185_B     1.023     0    0.057   0.986     3.809   88.214   80.119
LGA    H   186_B      H   186_B     0.909     0    0.075   1.419     6.769   88.214   58.714
LGA    T   187_B      T   187_B     1.645     0    0.021   0.077     2.241   77.143   74.150
LGA    R   188_B      R   188_B     2.159     0    0.061   1.304     6.521   62.976   54.329
LGA    D   189_B      D   189_B     3.093     0    0.051   0.300     4.495   55.357   47.024
LGA    D   190_B      D   190_B     1.888     0    0.263   0.271     2.296   68.810   69.821
LGA    G   191_B      G   191_B     1.337     0    0.038   0.038     1.536   79.286   79.286
LGA    T   192_B      T   192_B     1.479     0    0.103   1.009     2.771   77.262   72.109
LGA    V   193_B      V   193_B     0.719     0    0.052   0.161     1.169   90.476   89.184
LGA    F   194_B      F   194_B     0.651     0    0.058   0.211     1.056   90.476   88.831
LGA    T   195_B      T   195_B     0.391     0    0.040   0.092     0.759  100.000   95.918
LGA    G   196_B      G   196_B     1.124     0    0.058   0.058     1.900   79.405   79.405
LGA    S   197_B      S   197_B     2.855     0    0.049   0.045     3.533   57.262   53.730
LGA    D   198_B      D   198_B     2.409     0    0.150   1.230     3.877   62.857   61.131
LGA    G   199_B      G   199_B     2.086     0    0.076   0.076     2.127   68.810   68.810
LGA    F   200_B      F   200_B     1.325     0    0.048   0.129     1.640   79.286   87.316
LGA    Y   201_B      Y   201_B     1.046     0    0.024   0.126     1.609   85.952   81.508
LGA    S   202_B      S   202_B     0.371     0    0.037   0.036     0.689   92.857   95.238
LGA    R   203_B      R   203_B     1.260     0    0.078   1.447     7.786   85.952   63.853
LGA    S   204_B      S   204_B     1.079     0    0.254   0.634     1.861   85.952   83.016
LGA    Y   205_B      Y   205_B     1.361     0    0.059   0.338     2.275   81.429   73.690
LGA    S   206_B      S   206_B     1.219     0    0.045   0.071     1.262   81.429   82.937
LGA    R   207_B      R   207_B     1.261     0    0.029   1.242     4.317   81.429   73.550
LGA    A   208_B      A   208_B     0.657     0    0.050   0.053     0.836   90.476   90.476
LGA    C   209_B      C   209_B     0.670     0    0.035   0.036     1.275   90.476   87.460
LGA    L   210_B      L   210_B     0.583     0    0.047   0.132     1.144   95.238   90.595
LGA    H   211_B      H   211_B     0.403     0    0.026   1.095     2.393  100.000   90.095
LGA    A   212_B      A   212_B     0.533     0    0.017   0.020     0.748   92.857   92.381
LGA    L   213_B      L   213_B     0.711     0    0.021   1.404     3.099   90.476   79.048
LGA    L   214_B      L   214_B     0.424     0    0.063   0.107     0.524  100.000   98.810
LGA    A   215_B      A   215_B     0.550     0    0.026   0.033     0.743   92.857   92.381
LGA    E   216_B      E   216_B     0.646     0    0.025   0.242     0.999   90.476   90.476
LGA    C   217_B      C   217_B     0.449     0    0.050   0.085     0.761  100.000   96.825
LGA    G   218_B      G   218_B     0.879     0    0.120   0.120     0.879   90.476   90.476
LGA    L   219_B      L   219_B     0.444     0    0.404   0.513     2.756   84.524   91.071
LGA    T   220_B      T   220_B     0.527     0    0.093   1.133     2.614   97.619   87.483
LGA    V   221_B      V   221_B     0.344     0    0.043   0.069     0.589  100.000   98.639
LGA    V   222_B      V   222_B     0.506     0    0.043   0.045     0.689   92.857   93.197
LGA    R   223_B      R   223_B     0.538     0    0.058   1.207     8.513   95.238   59.437
LGA    S   224_B      S   224_B     1.452     0    0.245   0.574     2.574   73.214   71.746
LGA    A   225_B      A   225_B     0.817     0    0.046   0.056     0.843   90.476   90.476
LGA    S   226_B      S   226_B     1.078     0    0.179   0.635     2.928   77.262   74.603
LGA    N   227_B      N   227_B     0.607     0    0.073   0.873     3.638   92.857   78.393
LGA    L   228_B      L   228_B     0.518     0    0.053   0.097     0.855   92.857   91.667
LGA    F   229_B      F   229_B     0.494     0    0.178   0.166     1.312   97.619   88.961
LGA    A   230_B      A   230_B     0.507     0    0.056   0.060     0.900   97.619   96.190
LGA    H   231_B      H   231_B     0.309     0    0.041   0.204     0.714  100.000   96.190
LGA    C   232_B      C   232_B     0.313     0    0.027   0.058     0.377  100.000  100.000
LGA    V   233_B      V   233_B     0.403     0    0.054   1.102     2.237  100.000   89.932
LGA    T   234_B      T   234_B     0.310     0    0.021   0.074     0.421  100.000  100.000
LGA    V   235_B      V   235_B     0.483     0    0.062   0.091     0.483  100.000  100.000
LGA    L   236_B      L   236_B     0.372     0    0.047   0.110     0.879  100.000   96.429
LGA    P   237_B      P   237_B     0.197     0    0.082   0.105     0.840   97.619   98.639
LGA    E   238_B      E   238_B     0.204     0    0.201   1.037     3.767   88.810   72.593
LGA    G   239_B      G   239_B     1.968     0    0.590   0.590     4.960   60.714   60.714
LGA    A   240_B      A   240_B     2.292     0    0.269   0.354     2.674   66.905   66.476
LGA    D   241_B      D   241_B     4.996     0    0.220   0.389     7.240   30.238   22.381
LGA    Q   242_B      Q   242_B     6.057     0    0.131   0.651     7.331   15.476   20.106
LGA    G   243_B      G   243_B     8.335     0    0.623   0.623     9.084    4.762    4.762
LGA    F   244_B      F   244_B     9.646     0    0.317   0.515    13.109    0.476   10.779

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      230     920    920  100.00    1795   1795  100.00               230
SUMMARY(RMSD_GDC):     1.924          1.982                  2.549           80.574   76.032

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  230    4.0    221    1.46    83.152    90.971    14.169

LGA_LOCAL      RMSD:   1.460  Number of atoms:  221  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.938  Number of assigned atoms:  230 
Std_ASGN_ATOMS RMSD:   1.924  Standard rmsd on all 230 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.632177 * X  +   0.506202 * Y  +   0.586611 * Z  +   6.975202
  Y_new =  -0.711878 * X  +   0.678366 * Y  +   0.181794 * Z  +  49.534012
  Z_new =  -0.305913 * X  +  -0.532521 * Y  +   0.789201 * Z  + -10.472727 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.844628  0.310897 -0.593585   [DEG:  -48.3936   17.8131  -34.0099 ]
ZXZ:  1.871316  0.661289 -2.620164   [DEG:  107.2185   37.8891 -150.1243 ]
 
# END of job
