
#######################################################
#                                                     #
#                        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:   149       1_A - 149_A       0.80    25.55
  LCS_AVERAGE:     57.96

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.80    25.55
  LCS_AVERAGE:     57.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.80    25.55
  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  149     49  115  144  146  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  149     49  123  144  146  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  149     69  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     69  128  144  146  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  149     75  128  144  146  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  149     77  128  144  146  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  149     71  128  144  146  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  149     45  128  144  146  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  149     75  128  144  146  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  149     65  128  144  146  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  149     45  128  144  146  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  149     53  128  144  146  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  149     62  128  144  146  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  149     39  117  144  146  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  149     22  107  144  146  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  149      5   44  110  146  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  149      5   33   90  137  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  149      5   31   68  122  146  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  149      4   93  143  146  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  149     71  128  144  146  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  149     72  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     22  128  144  146  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  149     65  128  144  146  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  149     65  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     71  128  144  146  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  149     46  128  144  146  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  149     39   90  126  146  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  149     55  126  144  146  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  149     66  128  144  146  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  149     77  128  144  146  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  149     74  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     66  128  144  146  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  149     77  128  144  146  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  149     76  128  144  146  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  149     69  128  144  146  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  149     76  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     74  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     69  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     74  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     74  128  144  146  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  149     74  128  144  146  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  149     74  128  144  146  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  149     68  127  144  146  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  149     77  127  144  146  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  149     66  125  144  146  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  149     56  125  144  146  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  149     66  126  144  146  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  149     53  122  144  146  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  149     50  126  144  146  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  149     50  126  144  146  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  149     57  128  144  146  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  149     74  128  144  146  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  149     77  128  144  146  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  149     77  128  144  146  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  149     74  128  144  146  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  149     74  128  144  146  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  149     68  128  144  146  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  149     68  128  144  146  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  149     55  128  144  146  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  149     55  128  144  146  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  149     50  102  144  146  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  149     50  109  144  146  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  149     56  128  144  146  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  149     57  128  144  146  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  149     56  128  144  146  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  149     55  128  144  146  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  149     68  128  144  146  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  149     74  128  144  146  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  149     68  128  144  146  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  149     74  128  144  146  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  149     75  128  144  146  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  149     74  128  144  146  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  149     62  128  144  146  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  149     75  128  144  146  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  149     77  128  144  146  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  149     70  128  144  146  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  149      1   78  144  146  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   64     13   19   24   31   40   51   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   25   35   57   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   25   45   60   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   25   35   58   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   25   45   60   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   22   43   54   60   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   31   54   60   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   32   54   60   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   22   47   55   60   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   35   51   55   60   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   55   60   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   32   50   55   60   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     20   44   52   55   60   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   44   52   55   60   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     22   48   52   55   60   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     17   49   52   55   60   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   55   59   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   55   60   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     22   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     38   49   52   55   60   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     39   49   52   55   60   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     15   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     32   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     22   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     38   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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     39   49   52   55   60   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      4   49   52   55   60   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_AVERAGE  LCS_A:  57.38  (  56.22   57.96   57.96 )

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     77    128    144    146    148    149    149    149    149    149    149    149    149    149    149    149    149    149    149    149 
GDT PERCENT_AT  36.15  60.09  67.61  68.54  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   0.56   0.67   0.70   0.76   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80
GDT RMS_ALL_AT  25.51  25.53  25.51  25.51  25.54  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55  25.55

# 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:  D   199_B      D   199_A
#   possible swapping detected:  F   206_B      F   206_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     1_B      S     1_A     1.435     0    0.043   0.111     1.557   79.286   80.000
LGA    M     2_B      M     2_A     1.250     0    0.024   0.886     1.916   81.429   80.357
LGA    A     3_B      A     3_A     0.799     0    0.046   0.048     0.909   90.476   90.476
LGA    L     4_B      L     4_A     0.619     0    0.024   0.085     0.733   92.857   91.667
LGA    K     5_B      K     5_A     0.514     0    0.037   0.601     1.409   92.857   89.524
LGA    R     6_B      R     6_A     0.695     0    0.044   0.179     1.146   90.476   89.654
LGA    I     7_B      I     7_A     0.543     0    0.041   0.073     0.594   95.238   92.857
LGA    H     8_B      H     8_A     0.396     0    0.014   0.262     0.793  100.000   97.143
LGA    K     9_B      K     9_A     0.534     0    0.016   0.854     4.506   92.857   78.624
LGA    E    10_B      E    10_A     0.837     0    0.043   0.622     1.392   90.476   88.519
LGA    L    11_B      L    11_A     0.479     0    0.019   0.068     0.566   97.619   97.619
LGA    N    12_B      N    12_A     0.541     0    0.011   0.142     0.699   92.857   95.238
LGA    D    13_B      D    13_A     0.961     0    0.059   0.191     1.580   90.476   84.881
LGA    L    14_B      L    14_A     0.683     0    0.038   0.085     0.790   90.476   90.476
LGA    A    15_B      A    15_A     0.573     0    0.020   0.023     0.780   90.476   90.476
LGA    R    16_B      R    16_A     1.368     0    0.108   1.145     3.322   81.429   66.840
LGA    D    17_B      D    17_A     1.449     0    0.062   0.191     1.711   77.143   79.286
LGA    P    18_B      P    18_A     2.213     0    0.036   0.056     2.477   66.786   65.918
LGA    P    19_B      P    19_A     2.729     0    0.111   0.319     3.429   53.571   56.190
LGA    A    20_B      A    20_A     3.384     0    0.622   0.594     5.892   41.190   41.619
LGA    Q    21_B      Q    21_A     1.711     0    0.246   0.304     2.528   68.929   70.212
LGA    C    22_B      C    22_A     0.565     0    0.084   0.198     0.833   90.476   90.476
LGA    S    23_B      S    23_A     0.513     0    0.043   0.483     1.508   92.857   89.127
LGA    A    24_B      A    24_A     0.178     0    0.062   0.097     0.441  100.000  100.000
LGA    G    25_B      G    25_A     0.327     0    0.035   0.035     0.327  100.000  100.000
LGA    P    26_B      P    26_A     0.251     0    0.023   0.316     1.309  100.000   97.347
LGA    V    27_B      V    27_A     0.341     0    0.596   0.903     3.097   85.119   80.340
LGA    G    28_B      G    28_A     1.039     0    0.092   0.092     1.336   85.952   85.952
LGA    D    29_B      D    29_A     0.927     0    0.022   0.200     1.576   90.476   86.012
LGA    D    30_B      D    30_A     0.873     0    0.051   0.159     0.969   90.476   90.476
LGA    M    31_B      M    31_A     0.406     0    0.017   0.938     3.602   97.619   90.536
LGA    F    32_B      F    32_A     0.455     0    0.050   0.044     0.789  100.000   93.939
LGA    H    33_B      H    33_A     0.429     0    0.026   0.147     0.611  100.000   97.143
LGA    W    34_B      W    34_A     0.276     0    0.034   0.058     0.525  100.000   99.320
LGA    Q    35_B      Q    35_A     0.333     0    0.032   0.174     0.661  100.000   98.942
LGA    A    36_B      A    36_A     0.302     0    0.042   0.050     0.403  100.000  100.000
LGA    T    37_B      T    37_A     0.345     0    0.016   0.278     0.653  100.000   97.279
LGA    I    38_B      I    38_A     0.276     0    0.032   0.095     0.504  100.000   98.810
LGA    M    39_B      M    39_A     0.321     0    0.045   0.710     2.601  100.000   90.238
LGA    G    40_B      G    40_A     0.209     0    0.017   0.017     0.455  100.000  100.000
LGA    P    41_B      P    41_A     0.646     0    0.034   0.060     0.729   92.857   91.837
LGA    N    42_B      N    42_A     0.833     0    0.647   0.631     2.402   84.048   82.798
LGA    D    43_B      D    43_A     2.025     0    0.023   0.928     3.549   70.952   62.381
LGA    S    44_B      S    44_A     1.073     0    0.062   0.102     1.377   83.690   85.952
LGA    P    45_B      P    45_A     0.799     0    0.018   0.033     0.817   90.476   90.476
LGA    Y    46_B      Y    46_A     0.194     0    0.054   0.109     0.451  100.000  100.000
LGA    Q    47_B      Q    47_A     0.393     0    0.010   0.970     2.145  100.000   92.011
LGA    G    48_B      G    48_A     0.308     0    0.022   0.022     0.308  100.000  100.000
LGA    G    49_B      G    49_A     0.113     0    0.045   0.045     0.241  100.000  100.000
LGA    V    50_B      V    50_A     0.286     0    0.078   0.100     0.468  100.000  100.000
LGA    F    51_B      F    51_A     0.384     0    0.042   0.093     0.454  100.000  100.000
LGA    F    52_B      F    52_A     0.319     0    0.044   0.207     0.837  100.000   97.403
LGA    L    53_B      L    53_A     0.438     0    0.029   0.057     0.525  100.000   98.810
LGA    T    54_B      T    54_A     0.383     0    0.021   1.081     2.404  100.000   89.932
LGA    I    55_B      I    55_A     0.344     0    0.103   0.113     0.749   97.619   98.810
LGA    H    56_B      H    56_A     0.260     0    0.016   1.374     6.173  100.000   72.333
LGA    F    57_B      F    57_A     0.235     0    0.013   0.137     0.543   97.619   98.268
LGA    P    58_B      P    58_A     0.425     0    0.014   0.070     0.496  100.000  100.000
LGA    T    59_B      T    59_A     0.477     0    0.023   0.204     1.092   95.238   91.905
LGA    D    60_B      D    60_A     0.764     0    0.140   1.022     2.837   95.238   82.143
LGA    Y    61_B      Y    61_A     0.504     0    0.076   0.119     0.695   92.857   96.825
LGA    P    62_B      P    62_A     0.647     0    0.026   0.045     0.852   90.476   90.476
LGA    F    63_B      F    63_A     0.747     0    0.031   0.103     1.256   90.476   87.186
LGA    K    64_B      K    64_A     0.502     0    0.014   0.662     1.737   95.238   88.677
LGA    P    65_B      P    65_A     0.314     0    0.021   0.029     0.407  100.000  100.000
LGA    P    66_B      P    66_A     0.340     0    0.028   0.055     0.445  100.000  100.000
LGA    K    67_B      K    67_A     0.152     0    0.023   0.683     1.984  100.000   87.937
LGA    V    68_B      V    68_A     0.272     0    0.017   0.047     0.380  100.000  100.000
LGA    A    69_B      A    69_A     0.362     0    0.051   0.062     0.362  100.000  100.000
LGA    F    70_B      F    70_A     0.396     0    0.069   0.068     0.505   97.619   99.134
LGA    T    71_B      T    71_A     0.447     0    0.137   0.140     0.927  100.000   95.918
LGA    T    72_B      T    72_A     0.341     0    0.046   0.053     0.531   97.619   97.279
LGA    R    73_B      R    73_A     0.334     0    0.040   1.401     6.246  100.000   71.861
LGA    I    74_B      I    74_A     0.234     0    0.017   0.079     0.320  100.000  100.000
LGA    Y    75_B      Y    75_A     0.313     0    0.060   0.108     0.810  100.000   94.444
LGA    H    76_B      H    76_A     0.188     0    0.014   0.074     0.365  100.000  100.000
LGA    P    77_B      P    77_A     0.404     0    0.055   0.063     0.463  100.000  100.000
LGA    N    78_B      N    78_A     0.699     0    0.043   0.074     0.993   90.476   90.476
LGA    I    79_B      I    79_A     0.602     0    0.017   0.107     0.637   90.476   90.476
LGA    N    80_B      N    80_A     0.617     0    0.041   0.049     0.885   90.476   90.476
LGA    S    81_B      S    81_A     0.561     0    0.023   0.120     1.124   90.476   88.968
LGA    N    82_B      N    82_A     0.748     0    0.011   0.107     1.240   90.476   87.083
LGA    G    83_B      G    83_A     0.643     0    0.018   0.018     0.680   90.476   90.476
LGA    S    84_B      S    84_A     0.661     0    0.042   0.184     0.693   90.476   92.063
LGA    I    85_B      I    85_A     0.588     0    0.038   0.115     0.830   92.857   91.667
LGA    C    86_B      C    86_A     0.637     0    0.023   0.259     0.738   90.476   90.476
LGA    L    87_B      L    87_A     0.575     0    0.018   0.115     0.751   95.238   92.857
LGA    D    88_B      D    88_A     0.543     0    0.016   0.065     0.769   90.476   91.667
LGA    I    89_B      I    89_A     0.696     0    0.060   1.594     3.634   90.476   77.083
LGA    L    90_B      L    90_A     0.534     0    0.064   0.094     0.900   95.238   92.857
LGA    R    91_B      R    91_A     0.402     0    0.097   0.918     7.718   97.619   61.299
LGA    S    92_B      S    92_A     0.494     0    0.097   0.167     0.565   95.238   95.238
LGA    Q    93_B      Q    93_A     0.695     0    0.031   0.820     2.088   90.476   85.661
LGA    W    94_B      W    94_A     0.504     0    0.049   0.097     0.759   90.476   93.197
LGA    S    95_B      S    95_A     0.699     0    0.045   0.057     0.845   90.476   90.476
LGA    P    96_B      P    96_A     0.722     0    0.024   0.029     1.014   90.476   89.184
LGA    A    97_B      A    97_A     0.385     0    0.051   0.072     0.526   97.619   96.190
LGA    L    98_B      L    98_A     0.254     0    0.027   0.126     0.835   97.619   95.238
LGA    T    99_B      T    99_A     0.604     0    0.029   0.056     0.743   92.857   91.837
LGA    I   100_B      I   100_A     0.606     0    0.026   0.094     0.869   90.476   90.476
LGA    S   101_B      S   101_A     0.544     0    0.027   0.041     0.566   95.238   95.238
LGA    K   102_B      K   102_A     0.396     0    0.024   1.025     4.865  100.000   84.392
LGA    V   103_B      V   103_A     0.370     0    0.054   0.062     0.469  100.000  100.000
LGA    L   104_B      L   104_A     0.381     0    0.038   0.056     0.422  100.000  100.000
LGA    L   105_B      L   105_A     0.364     0    0.017   0.078     0.570  100.000   98.810
LGA    S   106_B      S   106_A     0.326     0    0.031   0.029     0.399  100.000  100.000
LGA    I   107_B      I   107_A     0.298     0    0.029   0.120     0.645  100.000   98.810
LGA    C   108_B      C   108_A     0.454     0    0.032   0.083     0.509  100.000   98.413
LGA    S   109_B      S   109_A     0.422     0    0.014   0.061     0.563   97.619   98.413
LGA    L   110_B      L   110_A     0.470     0    0.020   0.051     0.642  100.000   98.810
LGA    L   111_B      L   111_A     0.546     0    0.024   0.207     0.829   90.476   91.667
LGA    C   112_B      C   112_A     0.680     0    0.047   0.092     0.722   90.476   92.063
LGA    D   113_B      D   113_A     0.681     0    0.029   0.386     1.103   90.476   89.345
LGA    P   114_B      P   114_A     0.639     0    0.063   0.083     0.728   90.476   90.476
LGA    N   115_B      N   115_A     0.833     0    0.035   1.014     3.192   90.476   77.917
LGA    P   116_B      P   116_A     0.794     0    0.039   0.151     1.119   88.214   89.184
LGA    D   117_B      D   117_A     1.241     0    0.130   0.227     1.950   81.429   78.214
LGA    D   118_B      D   118_A     1.269     0    0.038   0.204     1.333   81.429   81.429
LGA    P   119_B      P   119_A     1.172     0    0.080   0.329     1.399   81.429   82.721
LGA    L   120_B      L   120_A     1.315     0    0.034   1.300     2.624   81.429   78.631
LGA    V   121_B      V   121_A     1.127     0    0.062   0.060     1.180   85.952   84.014
LGA    P   122_B      P   122_A     1.048     0    0.013   0.031     1.602   85.952   81.565
LGA    E   123_B      E   123_A     0.776     0    0.040   0.134     1.259   90.476   87.460
LGA    I   124_B      I   124_A     0.269     0    0.016   0.077     0.461  100.000  100.000
LGA    A   125_B      A   125_A     0.276     0    0.029   0.039     0.395  100.000  100.000
LGA    R   126_B      R   126_A     0.144     0    0.071   1.552     6.611  100.000   75.758
LGA    I   127_B      I   127_A     0.441     0    0.020   0.704     2.852   97.619   89.881
LGA    Y   128_B      Y   128_A     0.466     0    0.052   0.098     0.681   97.619   93.651
LGA    K   129_B      K   129_A     0.578     0    0.066   0.636     1.709   92.857   88.571
LGA    T   130_B      T   130_A     0.656     0    0.097   0.122     1.402   88.214   90.544
LGA    D   131_B      D   131_A     1.000     0    0.033   0.099     1.835   85.952   80.476
LGA    R   132_B      R   132_A     1.128     0    0.047   0.250     1.494   83.690   82.251
LGA    E   133_B      E   133_A     1.515     0    0.022   0.615     1.680   79.286   84.603
LGA    K   134_B      K   134_A     1.383     0    0.039   1.188     7.074   81.429   63.862
LGA    Y   135_B      Y   135_A     0.843     0    0.047   0.066     1.051   88.214   92.897
LGA    N   136_B      N   136_A     0.895     0    0.026   0.079     0.975   90.476   90.476
LGA    R   137_B      R   137_A     1.117     0    0.043   1.635     9.888   83.690   48.312
LGA    I   138_B      I   138_A     1.028     0    0.030   0.116     1.366   85.952   85.952
LGA    A   139_B      A   139_A     0.648     0    0.016   0.019     0.822   92.857   92.381
LGA    R   140_B      R   140_A     0.677     0    0.026   0.730     2.155   90.476   85.714
LGA    E   141_B      E   141_A     0.833     0    0.018   0.069     1.210   90.476   86.455
LGA    W   142_B      W   142_A     0.606     0    0.039   0.113     1.421   90.476   86.599
LGA    T   143_B      T   143_A     0.327     0    0.008   0.039     0.457  100.000  100.000
LGA    Q   144_B      Q   144_A     0.489     0    0.119   0.147     1.088   92.976   91.587
LGA    K   145_B      K   145_A     0.729     0    0.056   0.385     1.722   90.476   86.508
LGA    Y   146_B      Y   146_A     0.518     0    0.012   0.129     0.780   90.476   93.651
LGA    A   147_B      A   147_A     0.470     0    0.167   0.173     0.689   97.619   98.095
LGA    M   148_B      M   148_A     0.923     0    0.696   0.632     3.372   78.095   84.286
LGA    G   149_B      G   149_A     1.256     0    0.589   0.589     2.901   73.214   73.214
LGA    V   174_B      V   174_A    68.731     0    0.107   0.976    70.708    0.000    0.000
LGA    N   175_B      N   175_A    63.888     0    0.022   0.913    66.062    0.000    0.000
LGA    A   176_B      A   176_A    62.336     0    0.023   0.037    63.932    0.000    0.000
LGA    D   177_B      D   177_A    62.246     0    0.044   1.058    66.798    0.000    0.000
LGA    V   178_B      V   178_A    59.225     0    0.044   0.072    62.077    0.000    0.000
LGA    Q   179_B      Q   179_A    55.087     0    0.176   0.875    56.950    0.000    0.000
LGA    K   180_B      K   180_A    54.797     0    0.005   0.053    59.277    0.000    0.000
LGA    L   181_B      L   181_A    54.709     0    0.027   0.257    60.221    0.000    0.000
LGA    Q   182_B      Q   182_A    50.829     0    0.031   0.279    52.813    0.000    0.000
LGA    Q   183_B      Q   183_A    47.884     0    0.056   1.065    49.278    0.000    0.000
LGA    Q   184_B      Q   184_A    48.605     0    0.038   0.167    54.356    0.000    0.000
LGA    L   185_B      L   185_A    48.166     0    0.011   0.040    52.408    0.000    0.000
LGA    Q   186_B      Q   186_A    43.715     0    0.054   0.884    45.507    0.000    0.000
LGA    D   187_B      D   187_A    42.127     0    0.142   1.225    45.370    0.000    0.000
LGA    I   188_B      I   188_A    44.052     0    0.015   0.183    49.214    0.000    0.000
LGA    K   189_B      K   189_A    42.686     0    0.043   0.865    46.852    0.000    0.000
LGA    E   190_B      E   190_A    38.724     0    0.051   0.122    40.181    0.000    0.000
LGA    Q   191_B      Q   191_A    38.970     0    0.033   0.443    40.744    0.000    0.000
LGA    T   192_B      T   192_A    42.070     0    0.043   0.157    44.559    0.000    0.000
LGA    M   193_B      M   193_A    40.505     0    0.064   0.700    42.384    0.000    0.000
LGA    C   194_B      C   194_A    39.288     0    0.076   0.088    40.375    0.000    0.000
LGA    P   195_B      P   195_A    35.428     0    0.019   0.042    36.930    0.000    0.000
LGA    V   196_B      V   196_A    36.688     0    0.010   0.054    38.376    0.000    0.000
LGA    C   197_B      C   197_A    38.416     0    0.051   0.096    41.353    0.000    0.000
LGA    L   198_B      L   198_A    37.602     0    0.027   0.652    39.173    0.000    0.000
LGA    D   199_B      D   199_A    41.805     0    0.096   1.008    44.565    0.000    0.000
LGA    R   200_B      R   200_A    44.971     0    0.066   1.232    49.034    0.000    0.000
LGA    L   201_B      L   201_A    45.488     0    0.041   0.223    49.667    0.000    0.000
LGA    K   202_B      K   202_A    43.794     0    0.018   0.596    46.301    0.000    0.000
LGA    N   203_B      N   203_A    48.643     0    0.085   0.104    52.279    0.000    0.000
LGA    M   204_B      M   204_A    47.292     0    0.015   0.099    51.156    0.000    0.000
LGA    I   205_B      I   205_A    43.995     0    0.029   0.081    45.963    0.000    0.000
LGA    F   206_B      F   206_A    43.117     0    0.015   1.277    43.117    0.000    0.000
LGA    L   207_B      L   207_A    42.416     0    0.050   0.076    46.666    0.000    0.000
LGA    C   208_B      C   208_A    38.034     0    0.046   0.053    39.646    0.000    0.000
LGA    G   209_B      G   209_A    37.849     0    0.078   0.078    38.050    0.000    0.000
LGA    H   210_B      H   210_A    36.859     0    0.071   0.140    39.808    0.000    0.000
LGA    G   211_B      G   211_A    39.965     0    0.074   0.074    39.965    0.000    0.000
LGA    T   212_B      T   212_A    41.160     0    0.031   0.103    43.979    0.000    0.000
LGA    C   213_B      C   213_A    45.164     0    0.038   0.062    46.301    0.000    0.000
LGA    Q   214_B      Q   214_A    49.646     0    0.070   0.141    57.658    0.000    0.000
LGA    L   215_B      L   215_A    49.248     0    0.093   1.302    52.428    0.000    0.000
LGA    C   216_B      C   216_A    44.270     0    0.037   0.097    45.747    0.000    0.000
LGA    G   217_B      G   217_A    45.413     0    0.015   0.015    47.339    0.000    0.000
LGA    D   218_B      D   218_A    50.872     0    0.058   0.084    54.870    0.000    0.000
LGA    R   219_B      R   219_A    49.017     0    0.038   1.133    49.965    0.000    0.000
LGA    M   220_B      M   220_A    46.352     0    0.048   0.555    47.873    0.000    0.000
LGA    S   221_B      S   221_A    48.017     0    0.028   0.089    49.629    0.000    0.000
LGA    E   222_B      E   222_A    43.230     0    0.042   0.977    44.817    0.000    0.000
LGA    C   223_B      C   223_A    39.065     0    0.034   0.058    40.499    0.000    0.000
LGA    P   224_B      P   224_A    36.453     0    0.039   0.138    37.585    0.000    0.000
LGA    I   225_B      I   225_A    33.565     0    0.075   0.529    34.761    0.000    0.000
LGA    C   226_B      C   226_A    34.483     0    0.049   0.057    36.084    0.000    0.000
LGA    R   227_B      R   227_A    38.080     0    0.089   1.026    40.488    0.000    0.000
LGA    K   228_B      K   228_A    40.191     0    0.033   0.489    41.635    0.000    0.000
LGA    A   229_B      A   229_A    44.804     0    0.013   0.020    46.517    0.000    0.000
LGA    I   230_B      I   230_A    45.833     0    0.032   0.080    49.532    0.000    0.000
LGA    E   231_B      E   231_A    48.959     0    0.024   1.038    51.915    0.000    0.000
LGA    R   232_B      R   232_A    50.207     0    0.015   0.206    56.026    0.000    0.000
LGA    R   233_B      R   233_A    50.132     0    0.076   1.071    52.834    0.000    0.000
LGA    I   234_B      I   234_A    51.363     0    0.050   1.025    51.974    0.000    0.000
LGA    L   235_B      L   235_A    53.674     0    0.038   1.169    57.202    0.000    0.000
LGA    L   236_B      L   236_A    53.537     0    0.040   0.121    55.731    0.000    0.000
LGA    Y   237_B      Y   237_A    59.144     0    0.090   0.306    62.588    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):    16.375         16.369                 16.940           64.540   62.568

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  237  213    4.0    149    0.80    67.136    65.872    16.505

LGA_LOCAL      RMSD:   0.803  Number of atoms:  149  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.553  Number of assigned atoms:  213 
Std_ASGN_ATOMS RMSD:  16.375  Standard rmsd on all 213 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.990711 * X  +  -0.093422 * Y  +  -0.098810 * Z  +   2.105839
  Y_new =   0.028880 * X  +  -0.854618 * Y  +   0.518454 * Z  +   5.377284
  Z_new =  -0.132880 * X  +   0.510784 * Y  +   0.849378 * Z  +  64.078522 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.112451  0.133274  0.541421   [DEG:  178.3303    7.6360   31.0211 ]
ZXZ: -2.953265  0.555991 -0.254507   [DEG: -169.2096   31.8560  -14.5822 ]
 
# END of job
