
#######################################################
#                                                     #
#                        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       1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   230      15_B - 244_B       1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   226      15_B - 240_B       0.98     1.22
  LCS_AVERAGE:     96.64

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    226  230  230     47  175  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    16_B     F    16_B    226  230  230     47  183  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    17_B     Y    17_B    226  230  230    106  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    18_B     E    18_B    226  230  230    106  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    19_B     L    19_B    226  230  230    106  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    20_B     E    20_B    226  230  230     67  183  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    21_B     F    21_B    226  230  230     22  179  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    22_B     G    22_B    226  230  230     87  189  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P    23_B     P    23_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    24_B     R    24_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    25_B     T    25_B    226  230  230    119  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    26_B     I    26_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    27_B     M    27_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    28_B     T    28_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    29_B     L    29_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    30_B     A    30_B    226  230  230    107  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N    31_B     N    31_B    226  230  230    110  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    32_B     F    32_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P    33_B     P    33_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    34_B     D    34_B    226  230  230    125  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    35_B     D    35_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V    36_B     V    36_B    226  230  230    125  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    37_B     L    37_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P    38_B     P    38_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    39_B     L    39_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    40_B     L    40_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q    41_B     Q    41_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    42_B     M    42_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    43_B     E    43_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S    44_B     S    44_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    45_B     L    45_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    46_B     M    46_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    47_B     T    47_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F    48_B     F    48_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    49_B     E    49_B    226  230  230    116  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    50_B     A    50_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M    51_B     M    51_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    52_B     A    52_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    53_B     Y    53_B    226  230  230     36  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    54_B     L    54_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    55_B     R    55_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C    56_B     C    56_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    57_B     D    57_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    58_B     A    58_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    59_B     L    59_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V    60_B     V    60_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    61_B     E    61_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    62_B     L    62_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    63_B     G    63_B    226  230  230     99  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C    64_B     C    64_B    226  230  230     91  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    65_B     Y    65_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    66_B     D    66_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    67_B     G    67_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    68_B     R    68_B    226  230  230     15  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    69_B     A    69_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    70_B     L    70_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    71_B     E    71_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    72_B     I    72_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    73_B     A    73_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    74_B     R    74_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    75_B     L    75_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    76_B     L    76_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N    77_B     N    77_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    78_B     A    78_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    79_B     R    79_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y    80_B     Y    80_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    81_B     L    81_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G    82_B     G    82_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V    83_B     V    83_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    84_B     D    84_B    226  230  230     85  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    85_B     L    85_B    226  230  230     73  191  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D    86_B     D    86_B    226  230  230     61  189  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q    87_B     Q    87_B    226  230  230     48  187  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    88_B     R    88_B    226  230  230     43  187  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A    89_B     A    89_B    226  230  230     53  189  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    90_B     I    90_B    226  230  230     85  191  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    91_B     E    91_B    226  230  230     85  191  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    92_B     T    92_B    226  230  230     46  189  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L    93_B     L    93_B    226  230  230     87  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    94_B     R    94_B    226  230  230    125  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T    95_B     T    95_B    226  230  230    122  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    96_B     R    96_B    226  230  230     65  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I    97_B     I    97_B    226  230  230    125  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E    98_B     E    98_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R    99_B     R    99_B    226  230  230     36  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   100_B     E   100_B    226  230  230     36  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   101_B     G   101_B    226  230  230    106  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     M   102_B     M   102_B    226  230  230    124  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   103_B     S   103_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   104_B     D   104_B    226  230  230     80  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   105_B     R   105_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   106_B     A   106_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   107_B     D   107_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   108_B     T   108_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   109_B     V   109_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   110_B     V   110_B    226  230  230     73  190  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   111_B     D   111_B    226  230  230     72  191  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   112_B     D   112_B    226  230  230    104  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     I   113_B     I   113_B    226  230  230    114  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   114_B     L   114_B    226  230  230    122  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   115_B     N   115_B    226  230  230     93  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   116_B     H   116_B    226  230  230    114  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   117_B     T   117_B    226  230  230    117  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   118_B     R   118_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   119_B     R   119_B    226  230  230     29  153  209  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   120_B     G   120_B    226  230  230      4    7   63  206  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   121_B     A   121_B    226  230  230      3    4  132  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   122_B     S   122_B    226  230  230     11   50  179  214  219  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   123_B     V   123_B    226  230  230     80  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   124_B     G   124_B    226  230  230     80  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   125_B     S   125_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   126_B     R   126_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   127_B     A   127_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   128_B     L   128_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   129_B     Y   129_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   130_B     L   130_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   131_B     L   131_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P   132_B     P   132_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   133_B     F   133_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   134_B     N   134_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   135_B     L   135_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   136_B     L   136_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   137_B     G   137_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   138_B     N   138_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   139_B     F   139_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   140_B     R   140_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   141_B     E   141_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P   142_B     P   142_B    226  230  230    111  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     K   143_B     K   143_B    226  230  230    115  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   144_B     R   144_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   145_B     L   145_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   146_B     L   146_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   147_B     D   147_B    226  230  230    111  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   148_B     S   148_B    226  230  230    111  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   149_B     L   149_B    226  230  230     96  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   150_B     A   150_B    226  230  230     13   34  199  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   151_B     E   151_B    226  230  230      4    4   67  110  213  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   152_B     R   152_B    226  230  230      4    7   15  130  213  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   153_B     S   153_B    226  230  230      3    3    6   17   23   58  206  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   154_B     V   154_B    226  230  230      3   15   65  210  219  223  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   155_B     A   155_B    226  230  230    114  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   156_B     A   156_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   157_B     V   157_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   158_B     V   158_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   159_B     S   159_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   160_B     V   160_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   161_B     F   161_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   162_B     G   162_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   163_B     D   163_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   164_B     S   164_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   165_B     A   165_B    226  230  230    104  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   166_B     E   166_B    226  230  230    114  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   167_B     A   167_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   168_B     T   168_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   169_B     R   169_B    226  230  230    124  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   170_B     V   170_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   171_B     R   171_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q   172_B     Q   172_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   173_B     S   173_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   174_B     Y   174_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   175_B     Y   175_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   176_B     R   176_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   177_B     R   177_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   178_B     C   178_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   179_B     G   179_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   180_B     V   180_B    226  230  230    110  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q   181_B     Q   181_B    226  230  230     22  172  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   182_B     G   182_B    226  230  230     77  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   183_B     L   183_B    226  230  230     78  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   184_B     E   184_B    226  230  230    125  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   185_B     L   185_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   186_B     H   186_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   187_B     T   187_B    226  230  230     34  188  209  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   188_B     R   188_B    226  230  230     54  169  205  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   189_B     D   189_B    226  230  230      8  104  186  213  219  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   190_B     D   190_B    226  230  230     14  147  200  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   191_B     G   191_B    226  230  230     73  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   192_B     T   192_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   193_B     V   193_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   194_B     F   194_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   195_B     T   195_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   196_B     G   196_B    226  230  230     92  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   197_B     S   197_B    226  230  230     19  114  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   198_B     D   198_B    226  230  230    105  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   199_B     G   199_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   200_B     F   200_B    226  230  230    114  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   201_B     Y   201_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   202_B     S   202_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   203_B     R   203_B    226  230  230    125  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   204_B     S   204_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Y   205_B     Y   205_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   206_B     S   206_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   207_B     R   207_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   208_B     A   208_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   209_B     C   209_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   210_B     L   210_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   211_B     H   211_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   212_B     A   212_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   213_B     L   213_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   214_B     L   214_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   215_B     A   215_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   216_B     E   216_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   217_B     C   217_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   218_B     G   218_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   219_B     L   219_B    226  230  230    124  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   220_B     T   220_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   221_B     V   221_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   222_B     V   222_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     R   223_B     R   223_B    226  230  230    123  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   224_B     S   224_B    226  230  230     69  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   225_B     A   225_B    226  230  230     89  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     S   226_B     S   226_B    226  230  230    115  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     N   227_B     N   227_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   228_B     L   228_B    226  230  230     73  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   229_B     F   229_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   230_B     A   230_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     H   231_B     H   231_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     C   232_B     C   232_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   233_B     V   233_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     T   234_B     T   234_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     V   235_B     V   235_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     L   236_B     L   236_B    226  230  230    126  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     P   237_B     P   237_B    226  230  230     95  193  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     E   238_B     E   238_B    226  230  230     48  185  211  216  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   239_B     G   239_B    226  230  230      4   16   99  195  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     A   240_B     A   240_B    226  230  230      5   18   93  206  220  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     D   241_B     D   241_B     12  230  230      3   12   37   66  126  201  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     Q   242_B     Q   242_B     12  230  230      4   16   37   81  180  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     G   243_B     G   243_B     12  230  230      3   13   37   90  180  224  227  229  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_GDT     F   244_B     F   244_B     12  230  230      0    3    3   26   76   99  116  202  229  230  230  230  230  230  230  230  230  230  230  230 
LCS_AVERAGE  LCS_A:  98.88  (  96.64  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    126    193    211    216    220    224    227    229    229    230    230    230    230    230    230    230    230    230    230    230 
GDT PERCENT_AT  54.78  83.91  91.74  93.91  95.65  97.39  98.70  99.57  99.57 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.52   0.64   0.69   0.80   0.94   1.02   1.11   1.11   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21
GDT RMS_ALL_AT   1.27   1.26   1.25   1.25   1.23   1.22   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21

# Checking swapping
#   possible swapping detected:  F    16_B      F    16_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    20_B      E    20_B
#   possible swapping detected:  F    32_B      F    32_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  F    48_B      F    48_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    53_B      Y    53_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  D    84_B      D    84_B
#   possible swapping detected:  E    91_B      E    91_B
#   possible swapping detected:  E   100_B      E   100_B
#   possible swapping detected:  F   133_B      F   133_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  Y   174_B      Y   174_B
#   possible swapping detected:  D   189_B      D   189_B
#   possible swapping detected:  D   190_B      D   190_B
#   possible swapping detected:  F   200_B      F   200_B
#   possible swapping detected:  Y   201_B      Y   201_B
#   possible swapping detected:  E   238_B      E   238_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    15_B      A    15_B     1.800     0    0.056   0.053     1.972   72.857   72.857
LGA    F    16_B      F    16_B     1.542     0    0.019   0.103     1.647   77.143   76.753
LGA    Y    17_B      Y    17_B     1.051     0    0.071   0.114     1.250   81.429   87.460
LGA    E    18_B      E    18_B     1.179     0    0.024   0.222     1.723   81.429   79.524
LGA    L    19_B      L    19_B     1.193     0    0.054   0.081     1.554   79.286   80.357
LGA    E    20_B      E    20_B     1.539     0    0.109   0.278     2.171   72.976   73.016
LGA    F    21_B      F    21_B     1.596     0    0.316   1.307     9.199   77.143   44.113
LGA    G    22_B      G    22_B     1.260     0    0.036   0.036     1.338   83.690   83.690
LGA    P    23_B      P    23_B     0.578     0    0.061   0.060     0.974   92.857   91.837
LGA    R    24_B      R    24_B     0.495     0    0.033   0.959     4.304   92.857   82.554
LGA    T    25_B      T    25_B     0.775     0    0.017   1.269     3.687   90.476   78.776
LGA    I    26_B      I    26_B     0.619     0    0.087   0.201     0.966   90.476   90.476
LGA    M    27_B      M    27_B     0.552     0    0.028   0.177     0.716   92.857   94.048
LGA    T    28_B      T    28_B     0.525     0    0.094   0.146     1.032   95.238   91.905
LGA    L    29_B      L    29_B     0.404     0    0.025   1.008     2.297   95.238   87.619
LGA    A    30_B      A    30_B     0.929     0    0.067   0.063     1.203   90.476   88.667
LGA    N    31_B      N    31_B     0.837     0    0.110   0.191     1.130   88.214   88.214
LGA    F    32_B      F    32_B     0.680     0    0.013   0.431     1.427   90.476   88.009
LGA    P    33_B      P    33_B     0.541     0    0.039   0.365     1.475   90.476   90.544
LGA    D    34_B      D    34_B     0.638     0    0.078   0.305     1.188   90.476   89.345
LGA    D    35_B      D    35_B     0.514     0    0.045   0.303     0.949   95.238   95.238
LGA    V    36_B      V    36_B     0.538     0    0.039   0.048     1.107   97.619   93.265
LGA    L    37_B      L    37_B     0.441     0    0.034   1.380     3.637  100.000   81.964
LGA    P    38_B      P    38_B     0.387     0    0.065   0.082     0.627  100.000   95.918
LGA    L    39_B      L    39_B     0.430     0    0.011   0.112     0.592   97.619   98.810
LGA    L    40_B      L    40_B     0.462     0    0.020   0.122     0.575   97.619   96.429
LGA    Q    41_B      Q    41_B     0.329     0    0.018   0.718     2.582  100.000   90.159
LGA    M    42_B      M    42_B     0.343     0    0.027   0.090     0.708  100.000   96.429
LGA    E    43_B      E    43_B     0.642     0    0.051   0.184     0.896   92.857   92.593
LGA    S    44_B      S    44_B     0.491     0    0.025   0.067     0.548   97.619   95.238
LGA    L    45_B      L    45_B     0.130     0    0.065   0.083     0.729   97.619   97.619
LGA    M    46_B      M    46_B     0.503     0    0.020   0.568     1.605   92.857   90.655
LGA    T    47_B      T    47_B     0.505     0    0.014   0.077     0.806   97.619   94.558
LGA    F    48_B      F    48_B     0.164     0    0.026   0.332     1.085  100.000   96.580
LGA    E    49_B      E    49_B     0.417     0    0.027   0.786     3.043   97.619   84.233
LGA    A    50_B      A    50_B     0.626     0    0.024   0.022     0.734   90.476   90.476
LGA    M    51_B      M    51_B     0.504     0    0.032   0.603     1.600   95.238   90.655
LGA    A    52_B      A    52_B     0.118     0    0.033   0.030     0.446  100.000  100.000
LGA    Y    53_B      Y    53_B     0.662     0    0.019   0.118     2.480   92.857   81.071
LGA    L    54_B      L    54_B     0.456     0    0.041   0.065     1.011  100.000   94.107
LGA    R    55_B      R    55_B     0.220     0    0.015   1.232     5.457  100.000   77.792
LGA    C    56_B      C    56_B     0.377     0    0.046   0.104     0.597   97.619   96.825
LGA    D    57_B      D    57_B     0.348     0    0.032   0.269     0.761  100.000   97.619
LGA    A    58_B      A    58_B     0.298     0    0.029   0.029     0.329  100.000  100.000
LGA    L    59_B      L    59_B     0.336     0    0.029   0.036     0.374  100.000  100.000
LGA    V    60_B      V    60_B     0.417     0    0.071   0.085     0.559   97.619   97.279
LGA    E    61_B      E    61_B     0.500     0    0.023   0.088     0.784   95.238   92.593
LGA    L    62_B      L    62_B     0.346     0    0.053   0.110     0.696   97.619   98.810
LGA    G    63_B      G    63_B     0.697     0    0.016   0.016     0.800   90.476   90.476
LGA    C    64_B      C    64_B     0.687     0    0.065   0.071     0.743   90.476   90.476
LGA    Y    65_B      Y    65_B     0.415     0    0.059   0.102     0.529   97.619   96.825
LGA    D    66_B      D    66_B     0.131     0    0.090   0.095     0.447  100.000  100.000
LGA    G    67_B      G    67_B     0.360     0    0.074   0.074     0.481  100.000  100.000
LGA    R    68_B      R    68_B     1.079     0    0.120   1.434     7.310   81.548   60.519
LGA    A    69_B      A    69_B     0.427     0    0.114   0.120     0.666   97.619   98.095
LGA    L    70_B      L    70_B     0.443     0    0.023   0.048     0.520   95.238   97.619
LGA    E    71_B      E    71_B     0.388     0    0.062   0.302     1.406   97.619   93.757
LGA    I    72_B      I    72_B     0.472     0    0.014   0.082     0.563   97.619   97.619
LGA    A    73_B      A    73_B     0.488     0    0.045   0.056     0.488  100.000  100.000
LGA    R    74_B      R    74_B     0.473     0    0.031   0.642     3.022   97.619   84.762
LGA    L    75_B      L    75_B     0.378     0    0.122   0.110     0.890   95.238   97.619
LGA    L    76_B      L    76_B     0.445     0    0.043   0.044     0.470  100.000  100.000
LGA    N    77_B      N    77_B     0.360     0    0.038   0.899     3.871  100.000   83.155
LGA    A    78_B      A    78_B     0.495     0    0.046   0.045     0.631   95.238   94.286
LGA    R    79_B      R    79_B     0.529     0    0.054   0.941     2.676   92.857   84.286
LGA    Y    80_B      Y    80_B     0.429     0    0.023   0.105     0.771   97.619   95.238
LGA    L    81_B      L    81_B     0.365     0    0.023   0.103     0.389  100.000  100.000
LGA    G    82_B      G    82_B     0.397     0    0.049   0.049     0.751   95.238   95.238
LGA    V    83_B      V    83_B     0.600     0    0.019   0.041     0.818   92.857   91.837
LGA    D    84_B      D    84_B     0.800     0    0.040   0.105     1.038   88.214   89.345
LGA    L    85_B      L    85_B     0.926     0    0.014   0.109     1.109   88.214   88.214
LGA    D    86_B      D    86_B     1.099     0    0.122   0.220     1.727   88.214   83.750
LGA    Q    87_B      Q    87_B     1.266     0    0.052   1.289     5.879   81.429   62.751
LGA    R    88_B      R    88_B     1.287     0    0.028   1.219     6.232   81.429   61.645
LGA    A    89_B      A    89_B     1.058     0    0.047   0.062     1.090   83.690   83.238
LGA    I    90_B      I    90_B     0.880     0    0.067   0.132     0.983   90.476   90.476
LGA    E    91_B      E    91_B     0.940     0    0.031   0.997     4.083   88.214   74.127
LGA    T    92_B      T    92_B     1.116     0    0.020   0.026     1.407   85.952   84.014
LGA    L    93_B      L    93_B     0.724     0    0.022   0.036     0.846   90.476   92.857
LGA    R    94_B      R    94_B     0.323     0    0.023   0.191     1.241   97.619   93.160
LGA    T    95_B      T    95_B     0.602     0    0.018   0.035     0.741   90.476   90.476
LGA    R    96_B      R    96_B     0.830     0    0.021   0.141     0.928   90.476   90.476
LGA    I    97_B      I    97_B     0.540     0    0.037   0.055     0.786   90.476   95.238
LGA    E    98_B      E    98_B     0.571     0    0.018   1.190     4.494   90.595   74.709
LGA    R    99_B      R    99_B     1.123     0    0.015   1.384     8.085   83.690   57.532
LGA    E   100_B      E   100_B     1.045     0    0.022   0.174     1.500   85.952   84.444
LGA    G   101_B      G   101_B     0.964     0    0.107   0.107     0.964   90.476   90.476
LGA    M   102_B      M   102_B     0.699     0    0.062   0.091     0.821   90.476   92.857
LGA    S   103_B      S   103_B     0.657     0    0.100   0.140     1.020   90.476   88.968
LGA    D   104_B      D   104_B     1.095     0    0.050   0.089     1.396   85.952   83.690
LGA    R   105_B      R   105_B     0.597     0    0.228   1.453     7.730   95.238   64.242
LGA    A   106_B      A   106_B     0.376     0    0.091   0.110     0.936   95.238   96.190
LGA    D   107_B      D   107_B     0.413     0    0.041   0.041     0.964  100.000   95.238
LGA    T   108_B      T   108_B     0.234     0    0.085   0.097     0.554   97.619   98.639
LGA    V   109_B      V   109_B     0.541     0    0.053   1.233     3.174   92.857   83.537
LGA    V   110_B      V   110_B     0.930     0    0.134   0.144     1.784   83.810   84.082
LGA    D   111_B      D   111_B     0.876     0    0.039   0.085     1.425   92.857   88.274
LGA    D   112_B      D   112_B     0.702     0    0.045   0.490     1.399   90.476   88.214
LGA    I   113_B      I   113_B     0.474     0    0.035   0.053     0.671   97.619   96.429
LGA    L   114_B      L   114_B     0.455     0    0.093   0.427     1.697   95.238   90.714
LGA    N   115_B      N   115_B     0.647     0    0.024   0.297     1.513   92.857   88.333
LGA    H   116_B      H   116_B     0.319     0    0.016   0.163     0.479  100.000  100.000
LGA    T   117_B      T   117_B     0.256     0    0.028   0.850     1.998  100.000   92.245
LGA    R   118_B      R   118_B     0.512     0    0.079   1.093     4.535   92.857   77.446
LGA    R   119_B      R   119_B     1.548     0    0.250   1.092     4.562   67.857   55.671
LGA    G   120_B      G   120_B     2.968     0    0.083   0.083     2.968   66.905   66.905
LGA    A   121_B      A   121_B     2.357     0    0.065   0.074     4.057   62.976   57.810
LGA    S   122_B      S   122_B     2.513     0    0.330   0.760     5.633   64.881   54.048
LGA    V   123_B      V   123_B     1.183     0    0.033   0.047     1.600   83.810   85.374
LGA    G   124_B      G   124_B     0.973     0    0.037   0.037     1.213   85.952   85.952
LGA    S   125_B      S   125_B     0.850     0    0.122   0.229     1.003   88.214   88.968
LGA    R   126_B      R   126_B     0.593     0    0.056   1.100     3.222   95.238   81.558
LGA    A   127_B      A   127_B     0.460     0    0.031   0.040     0.581   92.857   94.286
LGA    L   128_B      L   128_B     0.576     0    0.018   0.569     1.316   90.476   88.214
LGA    Y   129_B      Y   129_B     0.485     0    0.074   0.216     1.015   90.595   95.278
LGA    L   130_B      L   130_B     0.536     0    0.024   0.034     0.536   92.857   92.857
LGA    L   131_B      L   131_B     0.536     0    0.054   0.063     0.796   90.476   95.238
LGA    P   132_B      P   132_B     0.833     0    0.030   0.056     0.951   92.857   91.837
LGA    F   133_B      F   133_B     0.614     0    0.049   0.334     0.897   90.476   92.208
LGA    N   134_B      N   134_B     0.630     0    0.126   0.304     1.099   90.476   89.345
LGA    L   135_B      L   135_B     0.571     0    0.027   0.138     0.851   92.857   92.857
LGA    L   136_B      L   136_B     0.499     0    0.020   0.041     0.534   95.238   97.619
LGA    G   137_B      G   137_B     0.560     0    0.075   0.075     0.907   90.476   90.476
LGA    N   138_B      N   138_B     0.521     0    0.204   0.681     2.658   92.857   85.238
LGA    F   139_B      F   139_B     0.448     0    0.043   0.174     0.827   92.857   97.403
LGA    R   140_B      R   140_B     0.555     0    0.021   0.929     3.926   90.476   79.610
LGA    E   141_B      E   141_B     0.541     0    0.075   0.248     0.713   95.238   92.593
LGA    P   142_B      P   142_B     0.549     0    0.048   0.078     0.790   95.238   93.197
LGA    K   143_B      K   143_B     0.495     0    0.056   0.101     0.728   95.238   92.593
LGA    R   144_B      R   144_B     0.292     0    0.083   0.967     3.563  100.000   89.740
LGA    L   145_B      L   145_B     0.250     0    0.016   0.154     0.868  100.000   97.619
LGA    L   146_B      L   146_B     0.118     0    0.065   0.172     0.509  100.000   98.810
LGA    D   147_B      D   147_B     0.388     0    0.069   0.177     0.961  100.000   96.429
LGA    S   148_B      S   148_B     0.444     0    0.017   0.660     2.200   97.619   92.540
LGA    L   149_B      L   149_B     0.490     0    0.062   0.193     1.356   90.714   90.655
LGA    A   150_B      A   150_B     2.002     0    0.037   0.050     2.742   62.976   61.810
LGA    E   151_B      E   151_B     3.774     0    0.180   0.601     8.418   43.452   29.312
LGA    R   152_B      R   152_B     3.631     0    0.028   1.375     6.199   40.476   39.264
LGA    S   153_B      S   153_B     4.807     0    0.538   0.824     7.339   51.548   38.254
LGA    V   154_B      V   154_B     2.937     0    0.667   0.591     6.875   50.357   38.163
LGA    A   155_B      A   155_B     0.889     0    0.107   0.148     1.090   88.214   86.857
LGA    A   156_B      A   156_B     0.472     0    0.046   0.052     0.681   97.619   96.190
LGA    V   157_B      V   157_B     0.580     0    0.020   0.051     0.607   90.476   91.837
LGA    V   158_B      V   158_B     0.670     0    0.073   0.089     0.882   90.476   90.476
LGA    S   159_B      S   159_B     0.509     0    0.097   0.176     0.847   90.476   90.476
LGA    V   160_B      V   160_B     0.485     0    0.045   1.108     2.808   95.238   87.279
LGA    F   161_B      F   161_B     0.552     0    0.062   0.184     0.926   90.476   90.476
LGA    G   162_B      G   162_B     0.657     0    0.034   0.034     0.687   90.476   90.476
LGA    D   163_B      D   163_B     0.754     0    0.060   1.204     4.344   90.476   76.250
LGA    S   164_B      S   164_B     0.565     0    0.043   0.063     0.601   92.857   95.238
LGA    A   165_B      A   165_B     0.740     0    0.021   0.024     0.893   90.476   90.476
LGA    E   166_B      E   166_B     0.593     0    0.056   0.575     2.745   92.857   86.825
LGA    A   167_B      A   167_B     0.332     0    0.052   0.049     0.565   97.619   98.095
LGA    T   168_B      T   168_B     0.399     0    0.042   0.089     0.488  100.000  100.000
LGA    R   169_B      R   169_B     0.541     0    0.028   0.562     1.568   97.619   90.693
LGA    V   170_B      V   170_B     0.371     0    0.047   0.069     0.458  100.000  100.000
LGA    R   171_B      R   171_B     0.092     0    0.029   0.083     0.511  100.000   97.403
LGA    Q   172_B      Q   172_B     0.318     0    0.052   0.330     2.249  100.000   87.937
LGA    S   173_B      S   173_B     0.439     0    0.020   0.047     0.699   97.619   96.825
LGA    Y   174_B      Y   174_B     0.409     0    0.021   0.061     1.058   97.619   92.897
LGA    Y   175_B      Y   175_B     0.321     0    0.035   0.059     0.462  100.000  100.000
LGA    R   176_B      R   176_B     0.377     0    0.023   0.310     1.859   97.619   91.558
LGA    R   177_B      R   177_B     0.536     0    0.015   0.936     2.571   90.476   85.844
LGA    C   178_B      C   178_B     0.563     0    0.178   0.172     0.641   90.476   92.063
LGA    G   179_B      G   179_B     0.637     0    0.180   0.180     1.149   88.214   88.214
LGA    V   180_B      V   180_B     0.884     0    0.073   0.075     1.354   85.952   86.599
LGA    Q   181_B      Q   181_B     1.947     0    0.113   0.843     3.005   75.000   69.524
LGA    G   182_B      G   182_B     0.964     0    0.103   0.103     1.358   88.214   88.214
LGA    L   183_B      L   183_B     0.805     0    0.062   0.136     1.207   88.214   89.405
LGA    E   184_B      E   184_B     0.596     0    0.058   0.113     0.723   95.238   92.593
LGA    L   185_B      L   185_B     0.751     0    0.036   0.226     1.311   90.476   88.214
LGA    H   186_B      H   186_B     0.754     0    0.047   0.085     0.840   90.476   94.286
LGA    T   187_B      T   187_B     1.429     0    0.022   0.031     1.982   81.429   77.755
LGA    R   188_B      R   188_B     1.885     0    0.057   1.387     6.638   66.905   53.896
LGA    D   189_B      D   189_B     2.944     0    0.064   0.291     4.229   55.357   48.631
LGA    D   190_B      D   190_B     2.108     0    0.263   1.218     4.712   64.881   56.964
LGA    G   191_B      G   191_B     0.982     0    0.042   0.042     1.461   83.690   83.690
LGA    T   192_B      T   192_B     0.771     0    0.031   0.052     0.803   90.476   90.476
LGA    V   193_B      V   193_B     0.347     0    0.023   0.143     1.010   97.619   95.986
LGA    F   194_B      F   194_B     0.298     0    0.034   0.106     0.576  100.000   98.268
LGA    T   195_B      T   195_B     0.397     0    0.020   0.061     0.660   95.238   97.279
LGA    G   196_B      G   196_B     0.993     0    0.107   0.107     0.993   90.476   90.476
LGA    S   197_B      S   197_B     1.774     0    0.681   0.601     3.985   67.619   64.127
LGA    D   198_B      D   198_B     0.596     0    0.205   0.204     2.384   90.595   80.774
LGA    G   199_B      G   199_B     0.372     0    0.030   0.030     0.846   95.238   95.238
LGA    F   200_B      F   200_B     0.732     0    0.054   0.074     1.109   90.476   88.009
LGA    Y   201_B      Y   201_B     0.611     0    0.039   0.077     0.738   90.476   92.857
LGA    S   202_B      S   202_B     0.427     0    0.029   0.128     0.599   97.619   96.825
LGA    R   203_B      R   203_B     0.623     0    0.045   1.424     5.965   95.238   76.840
LGA    S   204_B      S   204_B     0.308     0    0.054   0.102     0.377  100.000  100.000
LGA    Y   205_B      Y   205_B     0.194     0    0.050   0.240     1.473  100.000   92.222
LGA    S   206_B      S   206_B     0.270     0    0.025   0.174     0.714   97.619   96.825
LGA    R   207_B      R   207_B     0.551     0    0.034   1.242     5.134   97.619   80.173
LGA    A   208_B      A   208_B     0.374     0    0.025   0.024     0.393  100.000  100.000
LGA    C   209_B      C   209_B     0.260     0    0.024   0.830     2.697  100.000   92.857
LGA    L   210_B      L   210_B     0.301     0    0.043   0.083     0.486  100.000  100.000
LGA    H   211_B      H   211_B     0.330     0    0.024   0.560     1.859  100.000   93.619
LGA    A   212_B      A   212_B     0.290     0    0.019   0.027     0.444  100.000  100.000
LGA    L   213_B      L   213_B     0.252     0    0.021   0.036     0.393  100.000  100.000
LGA    L   214_B      L   214_B     0.253     0    0.067   0.073     0.530   97.619   98.810
LGA    A   215_B      A   215_B     0.395     0    0.018   0.025     0.451  100.000  100.000
LGA    E   216_B      E   216_B     0.220     0    0.069   0.402     1.171   97.619   95.820
LGA    C   217_B      C   217_B     0.253     0    0.101   0.096     0.400  100.000  100.000
LGA    G   218_B      G   218_B     0.552     0    0.099   0.099     0.552   97.619   97.619
LGA    L   219_B      L   219_B     0.455     0    0.042   0.085     0.613   95.238   97.619
LGA    T   220_B      T   220_B     0.439     0    0.033   0.159     0.621   95.238   95.918
LGA    V   221_B      V   221_B     0.607     0    0.086   0.093     0.778   90.476   90.476
LGA    V   222_B      V   222_B     0.684     0    0.159   1.109     3.233   88.214   80.884
LGA    R   223_B      R   223_B     0.899     0    0.026   1.084     8.312   90.476   54.026
LGA    S   224_B      S   224_B     1.130     0    0.140   0.550     2.220   81.548   78.730
LGA    A   225_B      A   225_B     0.917     0    0.026   0.041     0.984   90.476   90.476
LGA    S   226_B      S   226_B     0.712     0    0.120   0.155     1.160   88.214   88.968
LGA    N   227_B      N   227_B     0.358     0    0.027   0.061     0.516   97.619   98.810
LGA    L   228_B      L   228_B     0.839     0    0.076   0.071     1.517   90.476   84.881
LGA    F   229_B      F   229_B     0.426     0    0.109   0.113     0.904   95.238   93.939
LGA    A   230_B      A   230_B     0.333     0    0.057   0.066     0.616   97.619   98.095
LGA    H   231_B      H   231_B     0.625     0    0.031   0.068     0.788   90.476   90.476
LGA    C   232_B      C   232_B     0.638     0    0.019   0.045     0.652   90.476   90.476
LGA    V   233_B      V   233_B     0.691     0    0.020   0.059     0.716   90.476   90.476
LGA    T   234_B      T   234_B     0.567     0    0.017   0.050     0.697   90.476   90.476
LGA    V   235_B      V   235_B     0.595     0    0.047   0.063     0.704   90.476   90.476
LGA    L   236_B      L   236_B     0.460     0    0.074   0.112     0.964   97.619   94.048
LGA    P   237_B      P   237_B     0.504     0    0.035   0.059     1.328   90.595   87.959
LGA    E   238_B      E   238_B     1.170     0    0.119   0.234     1.586   81.548   83.492
LGA    G   239_B      G   239_B     3.035     0    0.015   0.015     3.693   52.024   52.024
LGA    A   240_B      A   240_B     3.011     0    0.154   0.186     3.627   48.452   50.190
LGA    D   241_B      D   241_B     4.825     0    0.111   0.360     6.656   37.262   26.786
LGA    Q   242_B      Q   242_B     4.206     0    0.078   0.933     8.681   35.714   26.402
LGA    G   243_B      G   243_B     4.497     0    0.279   0.279     5.122   34.405   34.405
LGA    F   244_B      F   244_B     7.400     0    0.566   0.569    10.656    5.833   31.818

# 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):     1.208          1.252                  1.688           89.675   86.373

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  249  230    4.0    229    1.11    94.348    97.122    18.930

LGA_LOCAL      RMSD:   1.110  Number of atoms:  229  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.210  Number of assigned atoms:  230 
Std_ASGN_ATOMS RMSD:   1.208  Standard rmsd on all 230 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.633305 * X  +   0.413364 * Y  +  -0.654260 * Z  +   7.315486
  Y_new =   0.490927 * X  +  -0.438954 * Y  +  -0.752536 * Z  +  20.724503
  Z_new =  -0.598261 * X  +  -0.797778 * Y  +   0.075060 * Z  + -18.696779 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.482168  0.641329 -1.476987   [DEG:  142.2178   36.7454  -84.6251 ]
ZXZ: -0.715653  1.495666 -2.498150   [DEG:  -41.0039   85.6953 -143.1335 ]
 
# END of job
