
#######################################################
#                                                     #
#                        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  237 ( 1829),  selected  213 , name one
# Molecule2: number of CA atoms  213 ( 1696),  selected  213 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   150       1_A - 174_A       4.62    25.55
  LCS_AVERAGE:     58.48

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.75    26.01
  LCS_AVERAGE:     57.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.75    26.01
  LCS_AVERAGE:     56.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  213
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     S     1_B     S     1_A    149  149  150     61  129  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M     2_B     M     2_A    149  149  150     61  131  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A     3_B     A     3_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L     4_B     L     4_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K     5_B     K     5_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R     6_B     R     6_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I     7_B     I     7_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H     8_B     H     8_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K     9_B     K     9_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E    10_B     E    10_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    11_B     L    11_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    12_B     N    12_A    149  149  150     92  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    13_B     D    13_A    149  149  150     54  131  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    14_B     L    14_A    149  149  150     59  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    15_B     A    15_A    149  149  150     76  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R    16_B     R    16_A    149  149  150     31  125  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    17_B     D    17_A    149  149  150     26  120  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    18_B     P    18_A    149  149  150      8   49  124  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    19_B     P    19_A    149  149  150      8   34  102  145  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    20_B     A    20_A    149  149  150      8   29   68  129  147  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    21_B     Q    21_A    149  149  150     26   99  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C    22_B     C    22_A    149  149  150     88  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    23_B     S    23_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    24_B     A    24_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    25_B     G    25_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    26_B     P    26_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V    27_B     V    27_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    28_B     G    28_A    149  149  150     66  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    29_B     D    29_A    149  149  150     83  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    30_B     D    30_A    149  149  150     81  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M    31_B     M    31_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    32_B     F    32_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H    33_B     H    33_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     W    34_B     W    34_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    35_B     Q    35_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    36_B     A    36_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    37_B     T    37_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    38_B     I    38_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M    39_B     M    39_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    40_B     G    40_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    41_B     P    41_A    149  149  150     87  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    42_B     N    42_A    149  149  150     41  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    43_B     D    43_A    149  149  150     39   92  142  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    44_B     S    44_A    149  149  150     63  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    45_B     P    45_A    149  149  150     73  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y    46_B     Y    46_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    47_B     Q    47_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    48_B     G    48_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    49_B     G    49_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V    50_B     V    50_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    51_B     F    51_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    52_B     F    52_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    53_B     L    53_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    54_B     T    54_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    55_B     I    55_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H    56_B     H    56_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    57_B     F    57_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    58_B     P    58_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    59_B     T    59_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    60_B     D    60_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y    61_B     Y    61_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    62_B     P    62_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    63_B     F    63_A    149  149  150     88  132  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K    64_B     K    64_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    65_B     P    65_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    66_B     P    66_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K    67_B     K    67_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V    68_B     V    68_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    69_B     A    69_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    70_B     F    70_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    71_B     T    71_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    72_B     T    72_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R    73_B     R    73_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    74_B     I    74_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y    75_B     Y    75_A    149  149  150     87  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H    76_B     H    76_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    77_B     P    77_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    78_B     N    78_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    79_B     I    79_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    80_B     N    80_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    81_B     S    81_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    82_B     N    82_A    149  149  150     85  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    83_B     G    83_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    84_B     S    84_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    85_B     I    85_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C    86_B     C    86_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    87_B     L    87_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    88_B     D    88_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    89_B     I    89_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    90_B     L    90_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R    91_B     R    91_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    92_B     S    92_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    93_B     Q    93_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     W    94_B     W    94_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    95_B     S    95_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    96_B     P    96_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    97_B     A    97_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    98_B     L    98_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    99_B     T    99_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   100_B     I   100_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S   101_B     S   101_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   102_B     K   102_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V   103_B     V   103_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   104_B     L   104_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   105_B     L   105_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S   106_B     S   106_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   107_B     I   107_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C   108_B     C   108_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S   109_B     S   109_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   110_B     L   110_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   111_B     L   111_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C   112_B     C   112_A    149  149  150     84  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   113_B     D   113_A    149  149  150     85  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   114_B     P   114_A    149  149  150     74  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N   115_B     N   115_A    149  149  150     84  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   116_B     P   116_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   117_B     D   117_A    149  149  150     78  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   118_B     D   118_A    149  149  150     70  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   119_B     P   119_A    149  149  150     78  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   120_B     L   120_A    149  149  150     53  129  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V   121_B     V   121_A    149  149  150     48  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   122_B     P   122_A    149  149  150     69  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E   123_B     E   123_A    149  149  150     61  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   124_B     I   124_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A   125_B     A   125_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   126_B     R   126_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   127_B     I   127_A    149  149  150     85  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y   128_B     Y   128_A    149  149  150     87  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   129_B     K   129_A    149  149  150     72  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T   130_B     T   130_A    149  149  150     74  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   131_B     D   131_A    149  149  150     54  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   132_B     R   132_A    149  149  150     53  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E   133_B     E   133_A    149  149  150     52  115  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   134_B     K   134_A    149  149  150     52  125  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y   135_B     Y   135_A    149  149  150     59  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N   136_B     N   136_A    149  149  150     72  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   137_B     R   137_A    149  149  150     61  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   138_B     I   138_A    149  149  150     59  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A   139_B     A   139_A    149  149  150     85  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   140_B     R   140_A    149  149  150     85  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E   141_B     E   141_A    149  149  150     84  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     W   142_B     W   142_A    149  149  150     87  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T   143_B     T   143_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q   144_B     Q   144_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   145_B     K   145_A    149  149  150     85  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y   146_B     Y   146_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A   147_B     A   147_A    149  149  150     93  133  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M   148_B     M   148_A    149  149  150     81  129  143  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G   149_B     G   149_A    149  149  150      0   49  142  147  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V   174_B     V   174_A     21   64  150     10   18   21   30   39   49   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     N   175_B     N   175_A     21   64   64     17   19   26   39   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     A   176_B     A   176_A     21   64   64     17   19   28   52   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     D   177_B     D   177_A     21   64   64     17   19   24   39   56   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     V   178_B     V   178_A     21   64   64     17   19   26   50   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   179_B     Q   179_A     21   64   64     17   23   46   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     K   180_B     K   180_A     21   64   64     17   19   32   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   181_B     L   181_A     21   64   64     17   19   38   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   182_B     Q   182_A     56   64   64     17   28   49   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   183_B     Q   183_A     56   64   64     17   34   51   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   184_B     Q   184_A     56   64   64     17   23   49   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   185_B     L   185_A     56   64   64     17   36   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   186_B     Q   186_A     56   64   64     22   47   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     D   187_B     D   187_A     56   64   64     17   45   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   188_B     I   188_A     56   64   64     17   47   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     K   189_B     K   189_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     E   190_B     E   190_A     56   64   64     17   49   52   56   60   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   191_B     Q   191_A     56   64   64      5   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     T   192_B     T   192_A     56   64   64     23   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     M   193_B     M   193_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   194_B     C   194_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     P   195_B     P   195_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     V   196_B     V   196_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   197_B     C   197_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   198_B     L   198_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     D   199_B     D   199_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   200_B     R   200_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   201_B     L   201_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     K   202_B     K   202_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     N   203_B     N   203_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     M   204_B     M   204_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   205_B     I   205_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     F   206_B     F   206_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   207_B     L   207_A     56   64   64     34   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   208_B     C   208_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     G   209_B     G   209_A     56   64   64      8   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     H   210_B     H   210_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     G   211_B     G   211_A     56   64   64     28   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     T   212_B     T   212_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   213_B     C   213_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   214_B     Q   214_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   215_B     L   215_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   216_B     C   216_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     G   217_B     G   217_A     56   64   64     28   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     D   218_B     D   218_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   219_B     R   219_A     56   64   64     34   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     M   220_B     M   220_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     S   221_B     S   221_A     56   64   64     17   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     E   222_B     E   222_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   223_B     C   223_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     P   224_B     P   224_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   225_B     I   225_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   226_B     C   226_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   227_B     R   227_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     K   228_B     K   228_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     A   229_B     A   229_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   230_B     I   230_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     E   231_B     E   231_A     56   64   64     24   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   232_B     R   232_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   233_B     R   233_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   234_B     I   234_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   235_B     L   235_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   236_B     L   236_A     56   64   64     36   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Y   237_B     Y   237_A     56   64   64     10   49   52   56   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_AVERAGE  LCS_A:  57.55  (  56.22   57.96   58.48 )

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     93    133    143    147    148    149    149    149    149    149    149    149    149    149    149    149    149    149    149    149 
GDT PERCENT_AT  43.66  62.44  67.14  69.01  69.48  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95
GDT RMS_LOCAL    0.32   0.52   0.60   0.67   0.70   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75
GDT RMS_ALL_AT  26.03  25.96  25.98  25.98  26.00  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01  26.01

# Checking swapping
#   possible swapping detected:  E    10_B      E    10_A
#   possible swapping detected:  F    32_B      F    32_A
#   possible swapping detected:  F    51_B      F    51_A
#   possible swapping detected:  F    52_B      F    52_A
#   possible swapping detected:  Y    61_B      Y    61_A
#   possible swapping detected:  F    70_B      F    70_A
#   possible swapping detected:  Y    75_B      Y    75_A
#   possible swapping detected:  E   123_B      E   123_A
#   possible swapping detected:  Y   128_B      Y   128_A
#   possible swapping detected:  E   133_B      E   133_A
#   possible swapping detected:  Y   135_B      Y   135_A
#   possible swapping detected:  E   141_B      E   141_A
#   possible swapping detected:  D   177_B      D   177_A
#   possible swapping detected:  E   190_B      E   190_A
#   possible swapping detected:  E   231_B      E   231_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     1_B      S     1_A     1.301     0    0.028   0.107     1.390   81.429   81.429
LGA    M     2_B      M     2_A     1.133     0    0.015   1.172     3.432   85.952   75.833
LGA    A     3_B      A     3_A     0.665     0    0.045   0.049     0.753   90.476   90.476
LGA    L     4_B      L     4_A     0.515     0    0.017   0.070     0.626   95.238   92.857
LGA    K     5_B      K     5_A     0.433     0    0.030   0.608     1.531  100.000   91.746
LGA    R     6_B      R     6_A     0.527     0    0.051   0.137     0.839   97.619   93.074
LGA    I     7_B      I     7_A     0.364     0    0.038   0.072     0.431  100.000  100.000
LGA    H     8_B      H     8_A     0.294     0    0.018   0.270     0.755  100.000   97.143
LGA    K     9_B      K     9_A     0.311     0    0.015   0.879     4.282  100.000   84.339
LGA    E    10_B      E    10_A     0.499     0    0.029   0.105     0.701   95.238   93.651
LGA    L    11_B      L    11_A     0.425     0    0.014   0.068     0.469  100.000  100.000
LGA    N    12_B      N    12_A     0.404     0    0.042   0.177     0.608   95.238   97.619
LGA    D    13_B      D    13_A     0.858     0    0.071   0.168     1.454   90.476   85.952
LGA    L    14_B      L    14_A     0.701     0    0.020   0.085     0.774   90.476   90.476
LGA    A    15_B      A    15_A     0.559     0    0.090   0.088     0.731   90.476   90.476
LGA    R    16_B      R    16_A     1.306     0    0.087   0.859     2.682   81.429   76.147
LGA    D    17_B      D    17_A     1.414     0    0.052   0.203     1.645   77.143   79.286
LGA    P    18_B      P    18_A     2.105     0    0.046   0.050     2.355   66.786   65.918
LGA    P    19_B      P    19_A     2.662     0    0.109   0.316     3.437   57.262   58.299
LGA    A    20_B      A    20_A     3.343     0    0.622   0.593     5.829   42.976   43.048
LGA    Q    21_B      Q    21_A     1.574     0    0.248   0.390     2.447   70.833   72.011
LGA    C    22_B      C    22_A     0.574     0    0.112   0.238     0.903   90.476   90.476
LGA    S    23_B      S    23_A     0.365     0    0.013   0.529     1.689  100.000   95.476
LGA    A    24_B      A    24_A     0.147     0    0.048   0.077     0.353  100.000  100.000
LGA    G    25_B      G    25_A     0.255     0    0.031   0.031     0.255  100.000  100.000
LGA    P    26_B      P    26_A     0.158     0    0.018   0.318     1.171  100.000   97.347
LGA    V    27_B      V    27_A     0.437     0    0.593   0.908     3.225   85.119   80.340
LGA    G    28_B      G    28_A     0.929     0    0.090   0.090     1.214   88.214   88.214
LGA    D    29_B      D    29_A     0.783     0    0.020   0.216     1.492   90.476   88.214
LGA    D    30_B      D    30_A     0.806     0    0.081   0.187     1.011   92.857   90.536
LGA    M    31_B      M    31_A     0.420     0    0.018   0.122     0.625   97.619   96.429
LGA    F    32_B      F    32_A     0.401     0    0.033   0.050     0.471  100.000  100.000
LGA    H    33_B      H    33_A     0.415     0    0.030   0.137     0.556  100.000   97.143
LGA    W    34_B      W    34_A     0.282     0    0.036   0.071     0.481  100.000  100.000
LGA    Q    35_B      Q    35_A     0.292     0    0.044   0.137     0.755  100.000   96.825
LGA    A    36_B      A    36_A     0.272     0    0.036   0.041     0.322  100.000  100.000
LGA    T    37_B      T    37_A     0.282     0    0.008   0.295     0.794  100.000   97.279
LGA    I    38_B      I    38_A     0.279     0    0.030   0.105     0.555  100.000   98.810
LGA    M    39_B      M    39_A     0.396     0    0.038   0.720     2.677  100.000   90.238
LGA    G    40_B      G    40_A     0.278     0    0.021   0.021     0.464  100.000  100.000
LGA    P    41_B      P    41_A     0.573     0    0.033   0.056     0.650   92.857   93.197
LGA    N    42_B      N    42_A     0.732     0    0.642   0.622     2.544   82.143   81.845
LGA    D    43_B      D    43_A     1.804     0    0.026   0.919     3.343   75.119   65.298
LGA    S    44_B      S    44_A     0.898     0    0.063   0.104     1.200   88.214   88.968
LGA    P    45_B      P    45_A     0.701     0    0.016   0.040     0.701   90.476   91.837
LGA    Y    46_B      Y    46_A     0.110     0    0.056   0.107     0.331  100.000  100.000
LGA    Q    47_B      Q    47_A     0.255     0    0.013   0.932     2.251  100.000   92.011
LGA    G    48_B      G    48_A     0.355     0    0.044   0.044     0.355  100.000  100.000
LGA    G    49_B      G    49_A     0.102     0    0.044   0.044     0.184  100.000  100.000
LGA    V    50_B      V    50_A     0.249     0    0.082   0.101     0.514  100.000   98.639
LGA    F    51_B      F    51_A     0.368     0    0.056   0.110     0.475  100.000  100.000
LGA    F    52_B      F    52_A     0.245     0    0.080   0.175     0.723  100.000   98.268
LGA    L    53_B      L    53_A     0.368     0    0.043   0.059     0.422  100.000  100.000
LGA    T    54_B      T    54_A     0.263     0    0.022   1.074     2.449  100.000   89.932
LGA    I    55_B      I    55_A     0.289     0    0.107   0.117     0.714   97.619   98.810
LGA    H    56_B      H    56_A     0.214     0    0.018   0.961     5.176  100.000   70.381
LGA    F    57_B      F    57_A     0.197     0    0.025   0.135     0.582   97.619   99.134
LGA    P    58_B      P    58_A     0.364     0    0.020   0.095     0.470  100.000  100.000
LGA    T    59_B      T    59_A     0.424     0    0.024   0.219     1.069   97.619   93.265
LGA    D    60_B      D    60_A     0.535     0    0.131   0.336     1.483   97.619   92.917
LGA    Y    61_B      Y    61_A     0.442     0    0.084   0.140     0.599   95.238   98.413
LGA    P    62_B      P    62_A     0.556     0    0.025   0.039     0.703   90.476   90.476
LGA    F    63_B      F    63_A     0.656     0    0.044   0.109     1.245   92.857   88.052
LGA    K    64_B      K    64_A     0.450     0    0.009   0.677     1.381   97.619   90.635
LGA    P    65_B      P    65_A     0.302     0    0.028   0.032     0.436  100.000  100.000
LGA    P    66_B      P    66_A     0.327     0    0.034   0.055     0.434  100.000  100.000
LGA    K    67_B      K    67_A     0.157     0    0.036   0.680     1.985  100.000   87.937
LGA    V    68_B      V    68_A     0.242     0    0.012   0.043     0.343  100.000  100.000
LGA    A    69_B      A    69_A     0.311     0    0.062   0.074     0.311  100.000  100.000
LGA    F    70_B      F    70_A     0.339     0    0.082   0.076     0.513   97.619   99.134
LGA    T    71_B      T    71_A     0.398     0    0.129   0.151     0.967  100.000   95.918
LGA    T    72_B      T    72_A     0.303     0    0.033   0.045     0.462  100.000  100.000
LGA    R    73_B      R    73_A     0.289     0    0.045   1.423     6.359  100.000   70.823
LGA    I    74_B      I    74_A     0.244     0    0.017   0.097     0.364  100.000  100.000
LGA    Y    75_B      Y    75_A     0.399     0    0.027   0.040     0.787  100.000   93.651
LGA    H    76_B      H    76_A     0.133     0    0.010   0.053     0.326  100.000  100.000
LGA    P    77_B      P    77_A     0.199     0    0.026   0.323     0.986  100.000   98.639
LGA    N    78_B      N    78_A     0.640     0    0.054   0.074     0.931   90.476   90.476
LGA    I    79_B      I    79_A     0.562     0    0.014   0.095     0.593   92.857   91.667
LGA    N    80_B      N    80_A     0.577     0    0.043   0.050     0.748   90.476   90.476
LGA    S    81_B      S    81_A     0.493     0    0.022   0.106     0.995   95.238   93.651
LGA    N    82_B      N    82_A     0.604     0    0.008   0.089     1.034   90.476   89.345
LGA    G    83_B      G    83_A     0.561     0    0.022   0.022     0.583   90.476   90.476
LGA    S    84_B      S    84_A     0.540     0    0.047   0.185     0.582   92.857   95.238
LGA    I    85_B      I    85_A     0.474     0    0.034   0.118     0.753   97.619   95.238
LGA    C    86_B      C    86_A     0.488     0    0.020   0.216     0.537  100.000   96.825
LGA    L    87_B      L    87_A     0.446     0    0.028   0.114     0.624  100.000   98.810
LGA    D    88_B      D    88_A     0.437     0    0.014   0.065     0.651  100.000   96.429
LGA    I    89_B      I    89_A     0.583     0    0.044   1.598     3.726   92.857   79.405
LGA    L    90_B      L    90_A     0.455     0    0.061   0.097     0.751   97.619   94.048
LGA    R    91_B      R    91_A     0.410     0    0.109   0.984     7.574  100.000   62.165
LGA    S    92_B      S    92_A     0.436     0    0.101   0.170     0.512   97.619   98.413
LGA    Q    93_B      Q    93_A     0.626     0    0.038   0.719     2.004   90.476   86.614
LGA    W    94_B      W    94_A     0.459     0    0.050   0.118     0.745   95.238   95.238
LGA    S    95_B      S    95_A     0.673     0    0.038   0.052     0.814   90.476   90.476
LGA    P    96_B      P    96_A     0.663     0    0.035   0.038     0.922   95.238   93.197
LGA    A    97_B      A    97_A     0.280     0    0.049   0.071     0.456  100.000  100.000
LGA    L    98_B      L    98_A     0.218     0    0.030   0.113     0.949  100.000   95.238
LGA    T    99_B      T    99_A     0.367     0    0.033   0.062     0.538  100.000   98.639
LGA    I   100_B      I   100_A     0.464     0    0.041   0.104     0.594  100.000   97.619
LGA    S   101_B      S   101_A     0.455     0    0.012   0.760     2.177  100.000   92.540
LGA    K   102_B      K   102_A     0.335     0    0.023   0.956     4.454  100.000   84.127
LGA    V   103_B      V   103_A     0.313     0    0.041   0.049     0.437  100.000  100.000
LGA    L   104_B      L   104_A     0.334     0    0.021   0.066     0.376  100.000  100.000
LGA    L   105_B      L   105_A     0.319     0    0.030   0.110     0.605  100.000   97.619
LGA    S   106_B      S   106_A     0.248     0    0.031   0.061     0.323  100.000  100.000
LGA    I   107_B      I   107_A     0.248     0    0.023   0.112     0.608  100.000   98.810
LGA    C   108_B      C   108_A     0.448     0    0.035   0.065     0.513  100.000   98.413
LGA    S   109_B      S   109_A     0.429     0    0.014   0.066     0.601   97.619   98.413
LGA    L   110_B      L   110_A     0.515     0    0.026   0.053     0.677   92.857   94.048
LGA    L   111_B      L   111_A     0.619     0    0.028   0.195     0.843   90.476   91.667
LGA    C   112_B      C   112_A     0.721     0    0.038   0.095     0.731   90.476   90.476
LGA    D   113_B      D   113_A     0.686     0    0.024   0.379     0.948   90.476   91.667
LGA    P   114_B      P   114_A     0.738     0    0.071   0.096     0.836   90.476   90.476
LGA    N   115_B      N   115_A     0.840     0    0.042   1.016     3.132   90.476   80.000
LGA    P   116_B      P   116_A     0.773     0    0.039   0.125     1.152   88.214   89.184
LGA    D   117_B      D   117_A     1.257     0    0.127   0.220     2.050   81.429   77.202
LGA    D   118_B      D   118_A     1.142     0    0.040   0.160     1.253   81.429   83.690
LGA    P   119_B      P   119_A     1.131     0    0.096   0.336     1.477   81.429   82.721
LGA    L   120_B      L   120_A     1.238     0    0.034   1.303     2.519   81.429   78.631
LGA    V   121_B      V   121_A     1.095     0    0.065   0.060     1.156   85.952   84.014
LGA    P   122_B      P   122_A     1.003     0    0.014   0.029     1.535   85.952   82.789
LGA    E   123_B      E   123_A     0.727     0    0.045   0.126     1.246   92.857   88.519
LGA    I   124_B      I   124_A     0.228     0    0.014   0.085     0.425  100.000  100.000
LGA    A   125_B      A   125_A     0.319     0    0.024   0.035     0.446  100.000  100.000
LGA    R   126_B      R   126_A     0.148     0    0.044   1.575     6.692  100.000   75.758
LGA    I   127_B      I   127_A     0.404     0    0.020   0.701     2.808   97.619   89.881
LGA    Y   128_B      Y   128_A     0.421     0    0.050   0.096     0.668   97.619   96.032
LGA    K   129_B      K   129_A     0.608     0    0.044   0.599     1.643   92.857   88.571
LGA    T   130_B      T   130_A     0.719     0    0.088   0.095     1.503   83.810   88.027
LGA    D   131_B      D   131_A     1.004     0    0.042   0.102     1.820   83.690   80.417
LGA    R   132_B      R   132_A     1.086     0    0.041   0.227     1.233   83.690   83.074
LGA    E   133_B      E   133_A     1.429     0    0.023   0.687     1.617   81.429   83.545
LGA    K   134_B      K   134_A     1.288     0    0.039   1.188     6.936   81.429   64.815
LGA    Y   135_B      Y   135_A     0.766     0    0.045   0.100     0.962   90.476   94.444
LGA    N   136_B      N   136_A     0.768     0    0.018   0.070     0.843   90.476   90.476
LGA    R   137_B      R   137_A     0.974     0    0.040   1.622     9.493   90.476   53.680
LGA    I   138_B      I   138_A     0.910     0    0.033   0.116     1.249   90.476   88.214
LGA    A   139_B      A   139_A     0.552     0    0.017   0.021     0.720   95.238   94.286
LGA    R   140_B      R   140_A     0.544     0    0.027   0.754     2.475   92.857   86.580
LGA    E   141_B      E   141_A     0.703     0    0.016   0.080     1.102   90.476   87.460
LGA    W   142_B      W   142_A     0.538     0    0.039   0.173     1.498   95.238   89.286
LGA    T   143_B      T   143_A     0.310     0    0.011   0.035     0.412  100.000  100.000
LGA    Q   144_B      Q   144_A     0.368     0    0.110   0.142     0.942   95.238   94.709
LGA    K   145_B      K   145_A     0.602     0    0.071   0.404     1.576   92.857   88.571
LGA    Y   146_B      Y   146_A     0.484     0    0.004   0.138     0.590   95.238   96.825
LGA    A   147_B      A   147_A     0.426     0    0.187   0.194     0.574   97.619   98.095
LGA    M   148_B      M   148_A     1.058     0    0.697   0.603     3.149   75.833   78.631
LGA    G   149_B      G   149_A     1.562     0    0.444   0.444     3.625   65.476   65.476
LGA    V   174_B      V   174_A    56.769     0    0.124   0.968    58.401    0.000    0.000
LGA    N   175_B      N   175_A    54.373     0    0.024   0.988    55.469    0.000    0.000
LGA    A   176_B      A   176_A    53.544     0    0.018   0.028    54.646    0.000    0.000
LGA    D   177_B      D   177_A    52.998     0    0.048   1.032    56.469    0.000    0.000
LGA    V   178_B      V   178_A    51.198     0    0.033   0.066    52.857    0.000    0.000
LGA    Q   179_B      Q   179_A    49.396     0    0.169   0.877    52.304    0.000    0.000
LGA    K   180_B      K   180_A    49.405     0    0.011   0.048    52.445    0.000    0.000
LGA    L   181_B      L   181_A    48.509     0    0.019   0.246    51.192    0.000    0.000
LGA    Q   182_B      Q   182_A    47.007     0    0.026   0.263    49.486    0.000    0.000
LGA    Q   183_B      Q   183_A    45.985     0    0.057   1.065    47.454    0.000    0.000
LGA    Q   184_B      Q   184_A    45.812     0    0.029   0.325    48.665    0.000    0.000
LGA    L   185_B      L   185_A    45.176     0    0.011   0.107    47.123    0.000    0.000
LGA    Q   186_B      Q   186_A    44.152     0    0.040   0.900    44.595    0.000    0.000
LGA    D   187_B      D   187_A    43.576     0    0.160   1.240    48.210    0.000    0.000
LGA    I   188_B      I   188_A    43.343     0    0.010   0.186    45.039    0.000    0.000
LGA    K   189_B      K   189_A    43.430     0    0.051   0.842    49.381    0.000    0.000
LGA    E   190_B      E   190_A    42.813     0    0.041   0.123    43.430    0.000    0.000
LGA    Q   191_B      Q   191_A    42.771     0    0.047   0.501    43.759    0.000    0.000
LGA    T   192_B      T   192_A    43.178     0    0.060   0.153    43.954    0.000    0.000
LGA    M   193_B      M   193_A    44.118     0    0.070   0.660    46.802    0.000    0.000
LGA    C   194_B      C   194_A    44.712     0    0.086   0.102    45.487    0.000    0.000
LGA    P   195_B      P   195_A    44.435     0    0.022   0.052    44.831    0.000    0.000
LGA    V   196_B      V   196_A    45.673     0    0.015   0.063    46.662    0.000    0.000
LGA    C   197_B      C   197_A    46.102     0    0.044   0.062    46.624    0.000    0.000
LGA    L   198_B      L   198_A    45.071     0    0.077   0.699    45.672    0.000    0.000
LGA    D   199_B      D   199_A    46.215     0    0.055   0.401    48.249    0.000    0.000
LGA    R   200_B      R   200_A    46.186     0    0.077   1.240    49.662    0.000    0.000
LGA    L   201_B      L   201_A    44.855     0    0.053   0.214    45.537    0.000    0.000
LGA    K   202_B      K   202_A    44.459     0    0.014   0.628    45.236    0.000    0.000
LGA    N   203_B      N   203_A    45.183     0    0.066   0.090    46.546    0.000    0.000
LGA    M   204_B      M   204_A    45.917     0    0.018   0.093    48.437    0.000    0.000
LGA    I   205_B      I   205_A    45.281     0    0.035   0.082    46.408    0.000    0.000
LGA    F   206_B      F   206_A    46.876     0    0.025   0.123    47.715    0.000    0.000
LGA    L   207_B      L   207_A    47.384     0    0.042   0.144    49.752    0.000    0.000
LGA    C   208_B      C   208_A    47.081     0    0.055   0.079    47.385    0.000    0.000
LGA    G   209_B      G   209_A    44.837     0    0.073   0.073    45.570    0.000    0.000
LGA    H   210_B      H   210_A    44.713     0    0.097   0.167    45.604    0.000    0.000
LGA    G   211_B      G   211_A    44.700     0    0.096   0.096    44.794    0.000    0.000
LGA    T   212_B      T   212_A    45.290     0    0.037   0.144    46.358    0.000    0.000
LGA    C   213_B      C   213_A    46.244     0    0.058   0.106    47.449    0.000    0.000
LGA    Q   214_B      Q   214_A    47.961     0    0.066   0.141    50.328    0.000    0.000
LGA    L   215_B      L   215_A    49.269     0    0.090   1.289    51.979    0.000    0.000
LGA    C   216_B      C   216_A    47.988     0    0.038   0.092    48.522    0.000    0.000
LGA    G   217_B      G   217_A    47.764     0    0.055   0.055    49.098    0.000    0.000
LGA    D   218_B      D   218_A    50.374     0    0.049   0.072    51.607    0.000    0.000
LGA    R   219_B      R   219_A    51.053     0    0.071   1.153    53.254    0.000    0.000
LGA    M   220_B      M   220_A    50.492     0    0.069   0.882    51.083    0.000    0.000
LGA    S   221_B      S   221_A    52.375     0    0.048   0.104    53.970    0.000    0.000
LGA    E   222_B      E   222_A    50.657     0    0.034   0.557    51.887    0.000    0.000
LGA    C   223_B      C   223_A    47.976     0    0.056   0.080    48.978    0.000    0.000
LGA    P   224_B      P   224_A    46.925     0    0.055   0.061    47.196    0.000    0.000
LGA    I   225_B      I   225_A    45.467     0    0.057   0.515    46.203    0.000    0.000
LGA    C   226_B      C   226_A    47.100     0    0.065   0.066    48.431    0.000    0.000
LGA    R   227_B      R   227_A    49.182     0    0.067   0.830    50.612    0.000    0.000
LGA    K   228_B      K   228_A    50.214     0    0.036   0.526    50.522    0.000    0.000
LGA    A   229_B      A   229_A    51.749     0    0.012   0.018    52.738    0.000    0.000
LGA    I   230_B      I   230_A    50.607     0    0.042   0.075    52.204    0.000    0.000
LGA    E   231_B      E   231_A    51.739     0    0.028   0.162    53.863    0.000    0.000
LGA    R   232_B      R   232_A    49.872     0    0.028   0.218    50.197    0.000    0.000
LGA    R   233_B      R   233_A    48.422     0    0.047   1.074    51.682    0.000    0.000
LGA    I   234_B      I   234_A    46.877     0    0.047   1.042    47.280    0.000    0.000
LGA    L   235_B      L   235_A    46.538     0    0.049   0.349    49.849    0.000    0.000
LGA    L   236_B      L   236_A    44.878     0    0.067   0.171    46.221    0.000    0.000
LGA    Y   237_B      Y   237_A    45.678     0    0.079   0.207    48.750    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      213     852    852  100.00    1696   1696  100.00               213
SUMMARY(RMSD_GDC):    17.372         17.339                 17.676           65.392   63.318

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  237  213    4.0    149    0.75    67.840    66.056    17.525

LGA_LOCAL      RMSD:   0.750  Number of atoms:  149  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.013  Number of assigned atoms:  213 
Std_ASGN_ATOMS RMSD:  17.372  Standard rmsd on all 213 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.058503 * X  +  -0.346545 * Y  +   0.936207 * Z  +   6.962306
  Y_new =  -0.284590 * X  +   0.904688 * Y  +   0.317094 * Z  +   2.008145
  Z_new =  -0.956863 * X  +  -0.247884 * Y  +  -0.151551 * Z  +  63.742966 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.773543  1.276004 -2.119539   [DEG: -101.6165   73.1097 -121.4407 ]
ZXZ:  1.897370  1.722933 -1.824283   [DEG:  108.7113   98.7168 -104.5237 ]
 
# END of job
