
#######################################################
#                                                     #
#                        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       4.71    39.98
  LCS_AVERAGE:     53.30

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.48    40.82
  LCS_AVERAGE:     51.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.48    40.82
  LCS_AVERAGE:     50.73

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     43  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    115  145  147  149  149  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    117  145  147  149  149  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    107  145  147  149  149  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     92  145  147  149  149  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     39  145  147  149  149  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     42  145  147  149  149  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     84  145  147  149  149  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     63  145  147  149  149  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     12  130  147  149  149  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      5   49  116  149  149  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    111  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    123  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    123  145  147  149  149  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      5   85  143  149  149  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     72  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    123  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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     97  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    123  145  147  149  149  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    125  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    123  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    123  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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    126  145  147  149  149  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   95  147  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V   174_B     V   174_A     25   27  150     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   31   31   31   32 
LCS_GDT     N   175_B     N   175_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   31   31   40   50 
LCS_GDT     A   176_B     A   176_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   40   44   48   53 
LCS_GDT     D   177_B     D   177_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   33   39   47   52 
LCS_GDT     V   178_B     V   178_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   36   41   47   51 
LCS_GDT     Q   179_B     Q   179_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   30   32   36   40   44   48   53 
LCS_GDT     K   180_B     K   180_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   29   30   33   36   40   44   48   53 
LCS_GDT     L   181_B     L   181_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   29   30   33   36   40   44   48   53 
LCS_GDT     Q   182_B     Q   182_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   30   31   34   37   41   47   53 
LCS_GDT     Q   183_B     Q   183_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   32   35   38   41   44   49   53 
LCS_GDT     Q   184_B     Q   184_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   30   33   36   39   43   47   51 
LCS_GDT     L   185_B     L   185_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   30   30   34   40   44   49   53 
LCS_GDT     Q   186_B     Q   186_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   32   35   38   41   44   49   53 
LCS_GDT     D   187_B     D   187_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   32   39   43   47   53 
LCS_GDT     I   188_B     I   188_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   32   39   43   46   48 
LCS_GDT     K   189_B     K   189_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   32   35   38   41   44   49   53 
LCS_GDT     E   190_B     E   190_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   33   35   36   38 
LCS_GDT     Q   191_B     Q   191_A     25   27   32      6   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   33   35   36   38 
LCS_GDT     T   192_B     T   192_A     25   27   32     10   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   33   35   36   43 
LCS_GDT     M   193_B     M   193_A     25   27   32      7   21   23   24   25   25   25   27   27   28   28   28   28   29   30   35   40   43   49   53 
LCS_GDT     C   194_B     C   194_A     25   27   32      5   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   33   35   36   38 
LCS_GDT     P   195_B     P   195_A     25   27   32      8   21   23   24   25   25   25   27   27   28   28   28   28   29   30   31   33   34   35   37 
LCS_GDT     V   196_B     V   196_A     25   27   32      5   17   23   24   25   25   25   27   27   28   28   28   28   29   30   31   33   34   35   38 
LCS_GDT     C   197_B     C   197_A     25   27   32      5    8   16   23   25   25   25   26   26   28   28   28   28   29   30   31   33   35   36   38 
LCS_GDT     L   198_B     L   198_A     25   27   32      5    8   16   24   25   25   25   27   27   28   28   28   28   29   30   31   33   35   36   38 
LCS_GDT     D   199_B     D   199_A      4   27   32      3    3    4    7   13   23   25   27   27   28   28   28   28   29   30   31   33   35   36   38 
LCS_GDT     R   200_B     R   200_A      4   27   32      3    3    4    5    7   10   15   27   27   28   28   28   28   29   30   31   33   35   36   38 
LCS_GDT     L   201_B     L   201_A      3    7   32      3    3    4    9   15   21   25   27   27   28   28   28   28   32   35   38   41   44   49   53 
LCS_GDT     K   202_B     K   202_A      4    4   32      3    3    4    6    7   11   13   14   18   20   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     N   203_B     N   203_A      4    4   32      3    3    4    6    7    8   11   13   18   19   20   26   29   32   35   38   41   44   49   53 
LCS_GDT     M   204_B     M   204_A      4    4   32      3    3    4    6    7    8   10   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     I   205_B     I   205_A      4    8   32      1    3    4    6    7    9   12   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     F   206_B     F   206_A      6    8   24      5    6    6    6    7    9   10   13   17   19   24   28   29   32   34   37   40   43   49   53 
LCS_GDT     L   207_B     L   207_A      6    8   24      5    6    6    6    7    9   12   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     C   208_B     C   208_A      6    8   24      5    6    6    6    7    8   10   12   14   18   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     G   209_B     G   209_A      6    8   24      5    6    6    6    7    8   10   13   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     H   210_B     H   210_A      6    8   24      5    6    6    6    7    9   12   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     G   211_B     G   211_A      6    8   24      5    6    6    6    7    9   12   14   17   19   24   28   29   32   34   37   41   44   49   53 
LCS_GDT     T   212_B     T   212_A      3   10   24      1    4    4    6    7    9   12   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     C   213_B     C   213_A      5   10   24      5    5    6    9    9   11   13   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     Q   214_B     Q   214_A      5   10   24      5    5    6    9    9   11   13   14   17   19   21   28   29   32   34   38   41   44   49   53 
LCS_GDT     L   215_B     L   215_A      5   10   24      5    5    6    9    9   11   13   14   15   18   21   22   23   32   34   37   40   44   49   53 
LCS_GDT     C   216_B     C   216_A      6   10   24      5    5    6    9    9   11   13   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     G   217_B     G   217_A      6   10   24      5    5    6    9    9   11   13   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     D   218_B     D   218_A      6   10   24      5    5    6    9    9   11   13   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     R   219_B     R   219_A      6   10   24      5    5    6    9    9   11   13   14   17   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     M   220_B     M   220_A      6   10   24      5    5    6    9    9   10   13   14   15   18   21   28   29   32   35   38   41   44   49   53 
LCS_GDT     S   221_B     S   221_A      6   10   24      3    4    6    9    9   11   13   14   15   18   21   22   28   31   35   38   41   44   49   53 
LCS_GDT     E   222_B     E   222_A      5    6   24      3    3    5    7    9   11   13   14   14   17   21   22   24   31   35   38   41   44   49   53 
LCS_GDT     C   223_B     C   223_A      5    6   24      4    4    5    5    7   10   11   14   14   17   21   22   26   32   35   38   41   44   49   53 
LCS_GDT     P   224_B     P   224_A      5    6   24      4    4    5    5    9   11   13   14   14   15   19   22   23   26   30   31   33   35   39   44 
LCS_GDT     I   225_B     I   225_A      5    9   24      4    5    6    7    9   11   13   14   14   15   17   18   23   25   27   29   31   33   37   43 
LCS_GDT     C   226_B     C   226_A      5    9   24      4    4    5    7    8    9   11   12   14   17   21   22   23   29   33   37   40   44   49   52 
LCS_GDT     R   227_B     R   227_A      4    9   24      3    3    6    7    8    9   11   13   15   18   21   22   26   31   35   38   41   44   49   53 
LCS_GDT     K   228_B     K   228_A      5    9   24      3    4    6    7    8    9   11   12   15   18   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     A   229_B     A   229_A      5    9   17      4    4    6    7    8    9   12   13   16   19   24   28   29   32   35   38   41   44   49   53 
LCS_GDT     I   230_B     I   230_A      5    9   17      4    4    5    7    8    9   11   12   13   15   17   21   25   29   34   37   41   44   49   53 
LCS_GDT     E   231_B     E   231_A      5    9   17      4    4    6    7    8    9   11   12   13   15   16   17   21   24   27   29   30   32   36   43 
LCS_GDT     R   232_B     R   232_A      5    9   17      4    4    6    7    8    9   11   12   13   14   15   16   19   22   26   27   27   30   34   39 
LCS_GDT     R   233_B     R   233_A      3    9   17      3    3    6    7    8    9   11   12   13   14   15   17   19   22   26   27   27   30   36   42 
LCS_GDT     I   234_B     I   234_A      4    5   13      3    4    4    5    5    6    7   10   10   14   15   17   19   20   26   27   27   30   33   36 
LCS_GDT     L   235_B     L   235_A      4    5   13      3    4    4    5    5    6    7   10   10   13   14   17   17   19   20   21   25   27   33   34 
LCS_GDT     L   236_B     L   236_A      4    5   13      3    4    4    5    5    6    6   10   10   13   14   17   17   19   20   21   25   27   28   30 
LCS_GDT     Y   237_B     Y   237_A      4    5   13      3    4    4    5    5    6    6   10   10   13   14   17   17   19   20   21   22   22   23   24 
LCS_AVERAGE  LCS_A:  51.74  (  50.73   51.19   53.30 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT    126    145    147    149    149    149    149    149    149    149    149    149    149    149    149    149    149    149    149    149 
GDT PERCENT_AT  59.15  68.08  69.01  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  69.95  69.95
GDT RMS_LOCAL    0.29   0.37   0.41   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48   0.48
GDT RMS_ALL_AT  40.78  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82  40.82

# Checking swapping
#   possible swapping detected:  D    30_B      D    30_A
#   possible swapping detected:  Y    46_B      Y    46_A
#   possible swapping detected:  F    51_B      F    51_A
#   possible swapping detected:  F    52_B      F    52_A
#   possible swapping detected:  F    63_B      F    63_A
#   possible swapping detected:  F    70_B      F    70_A
#   possible swapping detected:  Y    75_B      Y    75_A
#   possible swapping detected:  D   117_B      D   117_A
#   possible swapping detected:  D   131_B      D   131_A
#   possible swapping detected:  E   133_B      E   133_A
#   possible swapping detected:  Y   135_B      Y   135_A
#   possible swapping detected:  Y   146_B      Y   146_A
#   possible swapping detected:  D   177_B      D   177_A
#   possible swapping detected:  D   187_B      D   187_A
#   possible swapping detected:  D   199_B      D   199_A
#   possible swapping detected:  F   206_B      F   206_A
#   possible swapping detected:  D   218_B      D   218_A
#   possible swapping detected:  Y   237_B      Y   237_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     1_B      S     1_A     0.751     0    0.731   0.908     4.876   84.048   68.492
LGA    M     2_B      M     2_A     0.482     0    0.037   0.320     0.877   97.619   94.048
LGA    A     3_B      A     3_A     0.313     0    0.025   0.027     0.338  100.000  100.000
LGA    L     4_B      L     4_A     0.188     0    0.031   0.067     0.301  100.000  100.000
LGA    K     5_B      K     5_A     0.208     0    0.048   0.374     2.504  100.000   88.201
LGA    R     6_B      R     6_A     0.238     0    0.050   0.984     3.355  100.000   92.035
LGA    I     7_B      I     7_A     0.287     0    0.018   0.030     0.434  100.000  100.000
LGA    H     8_B      H     8_A     0.251     0    0.025   1.160     2.451  100.000   90.095
LGA    K     9_B      K     9_A     0.185     0    0.019   1.168     5.522  100.000   75.503
LGA    E    10_B      E    10_A     0.439     0    0.029   0.240     1.121   95.238   92.646
LGA    L    11_B      L    11_A     0.553     0    0.013   0.105     0.610   90.476   94.048
LGA    N    12_B      N    12_A     0.555     0    0.024   0.297     1.140   92.857   91.726
LGA    D    13_B      D    13_A     0.670     0    0.063   0.196     1.217   90.476   89.345
LGA    L    14_B      L    14_A     0.741     0    0.035   0.160     0.884   90.476   90.476
LGA    A    15_B      A    15_A     0.885     0    0.063   0.060     0.931   90.476   90.476
LGA    R    16_B      R    16_A     0.910     0    0.085   1.757     5.795   90.476   70.346
LGA    D    17_B      D    17_A     0.750     0    0.088   0.306     1.141   90.476   89.345
LGA    P    18_B      P    18_A     0.730     0    0.081   0.274     1.167   88.214   89.184
LGA    P    19_B      P    19_A     1.376     0    0.093   0.367     2.254   77.381   80.476
LGA    A    20_B      A    20_A     2.351     0    0.607   0.572     4.824   56.548   56.667
LGA    Q    21_B      Q    21_A     0.585     0    0.250   0.417     1.657   86.071   90.635
LGA    C    22_B      C    22_A     0.384     0    0.034   0.175     1.046   97.619   95.317
LGA    S    23_B      S    23_A     0.294     0    0.056   0.382     1.347   97.619   93.730
LGA    A    24_B      A    24_A     0.078     0    0.063   0.088     0.233  100.000  100.000
LGA    G    25_B      G    25_A     0.194     0    0.059   0.059     0.196  100.000  100.000
LGA    P    26_B      P    26_A     0.178     0    0.018   0.308     0.712  100.000   98.639
LGA    V    27_B      V    27_A     0.118     0    0.021   1.099     2.603  100.000   88.844
LGA    G    28_B      G    28_A     0.264     0    0.095   0.095     0.467  100.000  100.000
LGA    D    29_B      D    29_A     0.576     0    0.035   0.180     0.797   92.857   91.667
LGA    D    30_B      D    30_A     0.476     0    0.036   0.178     0.913  100.000   95.238
LGA    M    31_B      M    31_A     0.298     0    0.019   0.115     0.600  100.000   96.429
LGA    F    32_B      F    32_A     0.210     0    0.048   0.094     0.384  100.000  100.000
LGA    H    33_B      H    33_A     0.191     0    0.040   0.050     0.505  100.000   99.048
LGA    W    34_B      W    34_A     0.124     0    0.020   0.095     0.398  100.000  100.000
LGA    Q    35_B      Q    35_A     0.122     0    0.041   1.061     2.647  100.000   90.106
LGA    A    36_B      A    36_A     0.238     0    0.015   0.025     0.287  100.000  100.000
LGA    T    37_B      T    37_A     0.211     0    0.030   1.240     2.473  100.000   88.571
LGA    I    38_B      I    38_A     0.122     0    0.028   0.192     0.564  100.000   98.810
LGA    M    39_B      M    39_A     0.279     0    0.013   0.189     0.672  100.000   97.619
LGA    G    40_B      G    40_A     0.172     0    0.029   0.029     0.491  100.000  100.000
LGA    P    41_B      P    41_A     0.504     0    0.028   0.036     0.609   92.857   94.558
LGA    N    42_B      N    42_A     0.552     0    0.644   0.560     2.194   86.429   85.060
LGA    D    43_B      D    43_A     2.143     0    0.067   0.674     4.477   68.810   57.024
LGA    S    44_B      S    44_A     0.892     0    0.015   0.167     1.171   88.214   90.556
LGA    P    45_B      P    45_A     0.404     0    0.055   0.310     0.701   97.619   97.279
LGA    Y    46_B      Y    46_A     0.252     0    0.025   0.074     0.365  100.000  100.000
LGA    Q    47_B      Q    47_A     0.479     0    0.025   1.007     2.638   97.619   90.106
LGA    G    48_B      G    48_A     0.438     0    0.037   0.037     0.438  100.000  100.000
LGA    G    49_B      G    49_A     0.224     0    0.039   0.039     0.365  100.000  100.000
LGA    V    50_B      V    50_A     0.187     0    0.024   0.111     0.335  100.000  100.000
LGA    F    51_B      F    51_A     0.169     0    0.014   0.063     0.224  100.000  100.000
LGA    F    52_B      F    52_A     0.246     0    0.020   0.073     0.364  100.000  100.000
LGA    L    53_B      L    53_A     0.256     0    0.024   0.056     0.362  100.000  100.000
LGA    T    54_B      T    54_A     0.136     0    0.012   0.121     0.522  100.000   98.639
LGA    I    55_B      I    55_A     0.129     0    0.045   0.088     0.337  100.000  100.000
LGA    H    56_B      H    56_A     0.141     0    0.036   0.193     1.183  100.000   94.381
LGA    F    57_B      F    57_A     0.271     0    0.044   0.126     0.415  100.000  100.000
LGA    P    58_B      P    58_A     0.261     0    0.029   0.100     0.426  100.000  100.000
LGA    T    59_B      T    59_A     0.216     0    0.046   0.208     0.745  100.000   98.639
LGA    D    60_B      D    60_A     0.359     0    0.105   0.361     1.157  100.000   94.107
LGA    Y    61_B      Y    61_A     0.284     0    0.095   0.136     0.586  100.000   98.413
LGA    P    62_B      P    62_A     0.468     0    0.029   0.044     0.789  100.000   95.918
LGA    F    63_B      F    63_A     0.277     0    0.064   0.162     0.955  100.000   95.671
LGA    K    64_B      K    64_A     0.373     0    0.054   0.672     1.696  100.000   90.794
LGA    P    65_B      P    65_A     0.343     0    0.034   0.033     0.550  100.000   98.639
LGA    P    66_B      P    66_A     0.354     0    0.029   0.035     0.444  100.000  100.000
LGA    K    67_B      K    67_A     0.158     0    0.017   0.535     2.006  100.000   92.963
LGA    V    68_B      V    68_A     0.318     0    0.023   0.059     0.406  100.000  100.000
LGA    A    69_B      A    69_A     0.422     0    0.068   0.101     0.557   97.619   96.190
LGA    F    70_B      F    70_A     0.262     0    0.043   0.046     0.417  100.000  100.000
LGA    T    71_B      T    71_A     0.265     0    0.027   0.063     0.372  100.000  100.000
LGA    T    72_B      T    72_A     0.146     0    0.015   0.096     0.445  100.000  100.000
LGA    R    73_B      R    73_A     0.177     0    0.049   1.166     5.664  100.000   79.437
LGA    I    74_B      I    74_A     0.108     0    0.040   0.091     0.209  100.000  100.000
LGA    Y    75_B      Y    75_A     0.104     0    0.057   0.109     0.243  100.000  100.000
LGA    H    76_B      H    76_A     0.327     0    0.064   0.076     0.412  100.000  100.000
LGA    P    77_B      P    77_A     0.225     0    0.000   0.033     0.314  100.000  100.000
LGA    N    78_B      N    78_A     0.345     0    0.052   0.119     0.592  100.000   98.810
LGA    I    79_B      I    79_A     0.437     0    0.007   0.080     0.540  100.000   98.810
LGA    N    80_B      N    80_A     0.455     0    0.022   0.098     0.517  100.000   98.810
LGA    S    81_B      S    81_A     0.321     0    0.032   0.179     0.920  100.000   98.413
LGA    N    82_B      N    82_A     0.379     0    0.037   0.217     1.387  100.000   94.107
LGA    G    83_B      G    83_A     0.352     0    0.021   0.021     0.402  100.000  100.000
LGA    S    84_B      S    84_A     0.308     0    0.048   0.170     0.440  100.000  100.000
LGA    I    85_B      I    85_A     0.134     0    0.019   0.047     0.366  100.000  100.000
LGA    C    86_B      C    86_A     0.127     0    0.045   0.145     0.344  100.000  100.000
LGA    L    87_B      L    87_A     0.101     0    0.066   0.105     0.535  100.000   97.619
LGA    D    88_B      D    88_A     0.171     0    0.047   0.103     0.399  100.000  100.000
LGA    I    89_B      I    89_A     0.590     0    0.063   1.566     3.633   97.619   81.607
LGA    L    90_B      L    90_A     0.187     0    0.021   0.095     0.537  100.000   98.810
LGA    R    91_B      R    91_A     0.450     0    0.027   0.470     2.689   97.619   82.121
LGA    S    92_B      S    92_A     0.399     0    0.152   0.158     0.746   97.619   95.238
LGA    Q    93_B      Q    93_A     0.523     0    0.021   0.943     2.812   95.238   87.884
LGA    W    94_B      W    94_A     0.402     0    0.025   0.101     0.468  100.000  100.000
LGA    S    95_B      S    95_A     0.709     0    0.042   0.065     0.840   92.857   92.063
LGA    P    96_B      P    96_A     0.493     0    0.009   0.334     1.365   97.619   93.265
LGA    A    97_B      A    97_A     0.277     0    0.027   0.035     0.495  100.000  100.000
LGA    L    98_B      L    98_A     0.640     0    0.022   0.294     1.389   92.857   89.405
LGA    T    99_B      T    99_A     0.509     0    0.039   0.067     0.664   95.238   93.197
LGA    I   100_B      I   100_A     0.258     0    0.038   0.115     0.622  100.000   98.810
LGA    S   101_B      S   101_A     0.466     0    0.037   0.726     2.464   97.619   90.952
LGA    K   102_B      K   102_A     0.593     0    0.024   1.029     5.533   92.857   75.661
LGA    V   103_B      V   103_A     0.327     0    0.040   0.039     0.513  100.000   98.639
LGA    L   104_B      L   104_A     0.420     0    0.020   0.065     0.688  100.000   95.238
LGA    L   105_B      L   105_A     0.578     0    0.032   1.331     4.199   97.619   81.964
LGA    S   106_B      S   106_A     0.326     0    0.074   0.660     2.302  100.000   94.127
LGA    I   107_B      I   107_A     0.248     0    0.030   0.105     0.390  100.000  100.000
LGA    C   108_B      C   108_A     0.522     0    0.023   0.069     0.642   92.857   93.651
LGA    S   109_B      S   109_A     0.356     0    0.038   0.079     0.509  100.000   98.413
LGA    L   110_B      L   110_A     0.292     0    0.023   0.070     0.391  100.000  100.000
LGA    L   111_B      L   111_A     0.421     0    0.046   0.120     0.778  100.000   97.619
LGA    C   112_B      C   112_A     0.499     0    0.040   0.063     0.705   95.238   95.238
LGA    D   113_B      D   113_A     0.387     0    0.054   0.381     1.042   97.619   95.298
LGA    P   114_B      P   114_A     0.380     0    0.044   0.062     0.393  100.000  100.000
LGA    N   115_B      N   115_A     0.427     0    0.032   1.087     2.807  100.000   90.060
LGA    P   116_B      P   116_A     0.357     0    0.062   0.063     0.473  100.000  100.000
LGA    D   117_B      D   117_A     0.428     0    0.087   0.091     0.572  100.000   95.238
LGA    D   118_B      D   118_A     0.504     0    0.027   0.086     0.535   95.238   97.619
LGA    P   119_B      P   119_A     0.433     0    0.015   0.317     0.603  100.000   97.279
LGA    L   120_B      L   120_A     0.218     0    0.023   0.160     0.499  100.000  100.000
LGA    V   121_B      V   121_A     0.354     0    0.022   0.061     0.653  100.000   98.639
LGA    P   122_B      P   122_A     0.113     0    0.028   0.069     0.307  100.000  100.000
LGA    E   123_B      E   123_A     0.217     0    0.068   0.117     0.916  100.000   96.825
LGA    I   124_B      I   124_A     0.253     0    0.021   0.064     0.435  100.000  100.000
LGA    A   125_B      A   125_A     0.108     0    0.038   0.039     0.175  100.000  100.000
LGA    R   126_B      R   126_A     0.161     0    0.067   0.110     0.566  100.000   99.134
LGA    I   127_B      I   127_A     0.101     0    0.024   0.837     1.995  100.000   90.893
LGA    Y   128_B      Y   128_A     0.117     0    0.035   0.155     0.363  100.000  100.000
LGA    K   129_B      K   129_A     0.216     0    0.064   0.118     0.408  100.000  100.000
LGA    T   130_B      T   130_A     0.130     0    0.065   0.077     0.424  100.000  100.000
LGA    D   131_B      D   131_A     0.144     0    0.068   0.116     0.498  100.000  100.000
LGA    R   132_B      R   132_A     0.164     0    0.024   0.997     2.824  100.000   92.771
LGA    E   133_B      E   133_A     0.245     0    0.037   1.302     6.272  100.000   71.429
LGA    K   134_B      K   134_A     0.126     0    0.043   0.883     4.955  100.000   82.063
LGA    Y   135_B      Y   135_A     0.047     0    0.014   0.079     0.351  100.000  100.000
LGA    N   136_B      N   136_A     0.045     0    0.024   0.081     0.281  100.000  100.000
LGA    R   137_B      R   137_A     0.114     0    0.058   1.165     5.464  100.000   79.264
LGA    I   138_B      I   138_A     0.148     0    0.022   0.117     0.449  100.000  100.000
LGA    A   139_B      A   139_A     0.090     0    0.015   0.015     0.120  100.000  100.000
LGA    R   140_B      R   140_A     0.191     0    0.047   0.684     3.045  100.000   87.359
LGA    E   141_B      E   141_A     0.233     0    0.019   0.095     0.494  100.000  100.000
LGA    W   142_B      W   142_A     0.132     0    0.032   0.105     0.398  100.000  100.000
LGA    T   143_B      T   143_A     0.218     0    0.015   0.088     0.435  100.000  100.000
LGA    Q   144_B      Q   144_A     0.289     0    0.077   0.841     2.380  100.000   90.952
LGA    K   145_B      K   145_A     0.435     0    0.032   0.496     2.864   95.238   85.132
LGA    Y   146_B      Y   146_A     0.425     0    0.078   0.210     1.478   97.619   89.841
LGA    A   147_B      A   147_A     0.264     0    0.055   0.058     0.300  100.000  100.000
LGA    M   148_B      M   148_A     0.385     0    0.344   1.011     3.003   93.214   90.357
LGA    G   149_B      G   149_A     1.457     0    0.427   0.427     2.286   77.262   77.262
LGA    V   174_B      V   174_A    58.699     0    0.045   1.002    59.071    0.000    0.000
LGA    N   175_B      N   175_A    58.141     0    0.056   1.112    58.454    0.000    0.000
LGA    A   176_B      A   176_A    58.003     0    0.028   0.026    58.493    0.000    0.000
LGA    D   177_B      D   177_A    57.533     0    0.054   1.080    59.131    0.000    0.000
LGA    V   178_B      V   178_A    57.675     0    0.040   0.120    58.420    0.000    0.000
LGA    Q   179_B      Q   179_A    57.756     0    0.159   0.948    58.201    0.000    0.000
LGA    K   180_B      K   180_A    58.301     0    0.022   0.772    61.313    0.000    0.000
LGA    L   181_B      L   181_A    58.732     0    0.035   0.111    59.587    0.000    0.000
LGA    Q   182_B      Q   182_A    59.394     0    0.017   0.242    60.274    0.000    0.000
LGA    Q   183_B      Q   183_A    59.464     0    0.057   1.085    62.000    0.000    0.000
LGA    Q   184_B      Q   184_A    60.178     0    0.015   1.323    61.666    0.000    0.000
LGA    L   185_B      L   185_A    62.197     0    0.060   0.116    63.893    0.000    0.000
LGA    Q   186_B      Q   186_A    62.570     0    0.061   0.871    63.970    0.000    0.000
LGA    D   187_B      D   187_A    63.025     0    0.148   1.087    65.408    0.000    0.000
LGA    I   188_B      I   188_A    65.143     0    0.052   0.195    67.459    0.000    0.000
LGA    K   189_B      K   189_A    67.276     0    0.013   0.845    72.229    0.000    0.000
LGA    E   190_B      E   190_A    67.432     0    0.035   0.080    69.584    0.000    0.000
LGA    Q   191_B      Q   191_A    69.138     0    0.028   0.749    71.742    0.000    0.000
LGA    T   192_B      T   192_A    71.739     0    0.078   0.116    74.288    0.000    0.000
LGA    M   193_B      M   193_A    73.302     0    0.125   0.943    75.080    0.000    0.000
LGA    C   194_B      C   194_A    77.280     0    0.042   0.089    79.955    0.000    0.000
LGA    P   195_B      P   195_A    77.970     0    0.020   0.091    79.643    0.000    0.000
LGA    V   196_B      V   196_A    80.774     0    0.026   0.051    83.474    0.000    0.000
LGA    C   197_B      C   197_A    78.976     0    0.197   0.191    79.646    0.000    0.000
LGA    L   198_B      L   198_A    75.491     0    0.347   1.094    77.009    0.000    0.000
LGA    D   199_B      D   199_A    79.457     0    0.048   1.325    82.328    0.000    0.000
LGA    R   200_B      R   200_A    83.087     0    0.590   1.338    89.241    0.000    0.000
LGA    L   201_B      L   201_A    81.064     0    0.605   0.611    82.013    0.000    0.000
LGA    K   202_B      K   202_A    83.012     0    0.598   0.945    84.969    0.000    0.000
LGA    N   203_B      N   203_A    88.752     0    0.377   1.275    92.624    0.000    0.000
LGA    M   204_B      M   204_A    87.777     0    0.607   0.774    91.274    0.000    0.000
LGA    I   205_B      I   205_A    85.025     0    0.525   0.751    86.436    0.000    0.000
LGA    F   206_B      F   206_A    87.324     0    0.583   1.524    87.984    0.000    0.000
LGA    L   207_B      L   207_A    90.499     0    0.097   0.157    97.011    0.000    0.000
LGA    C   208_B      C   208_A    83.737     0    0.010   0.738    86.058    0.000    0.000
LGA    G   209_B      G   209_A    81.676     0    0.101   0.101    82.874    0.000    0.000
LGA    H   210_B      H   210_A    77.162     0    0.086   1.068    80.752    0.000    0.000
LGA    G   211_B      G   211_A    78.599     0    0.685   0.685    78.599    0.000    0.000
LGA    T   212_B      T   212_A    74.676     0    0.368   1.205    76.146    0.000    0.000
LGA    C   213_B      C   213_A    75.188     0    0.615   0.731    75.539    0.000    0.000
LGA    Q   214_B      Q   214_A    76.048     0    0.025   0.861    80.369    0.000    0.000
LGA    L   215_B      L   215_A    71.430     0    0.036   1.308    72.801    0.000    0.000
LGA    C   216_B      C   216_A    72.028     0    0.223   0.590    74.810    0.000    0.000
LGA    G   217_B      G   217_A    76.569     0    0.028   0.028    79.574    0.000    0.000
LGA    D   218_B      D   218_A    78.684     0    0.044   1.083    80.639    0.000    0.000
LGA    R   219_B      R   219_A    78.499     0    0.180   1.461    80.024    0.000    0.000
LGA    M   220_B      M   220_A    80.977     0    0.654   1.013    85.391    0.000    0.000
LGA    S   221_B      S   221_A    84.718     0    0.160   0.192    87.064    0.000    0.000
LGA    E   222_B      E   222_A    83.064     0    0.671   1.078    83.064    0.000    0.000
LGA    C   223_B      C   223_A    81.273     0    0.340   0.335    81.862    0.000    0.000
LGA    P   224_B      P   224_A    79.942     0    0.093   0.101    82.030    0.000    0.000
LGA    I   225_B      I   225_A    79.878     0    0.254   1.467    81.693    0.000    0.000
LGA    C   226_B      C   226_A    78.397     0    0.228   0.768    80.986    0.000    0.000
LGA    R   227_B      R   227_A    79.344     0    0.032   1.075    80.045    0.000    0.000
LGA    K   228_B      K   228_A    79.424     0    0.028   0.998    82.883    0.000    0.000
LGA    A   229_B      A   229_A    78.499     0    0.081   0.107    79.413    0.000    0.000
LGA    I   230_B      I   230_A    77.586     0    0.053   1.216    78.842    0.000    0.000
LGA    E   231_B      E   231_A    77.463     0    0.047   0.171    77.614    0.000    0.000
LGA    R   232_B      R   232_A    76.289     0    0.677   1.034    81.845    0.000    0.000
LGA    R   233_B      R   233_A    75.993     0    0.585   1.593    78.839    0.000    0.000
LGA    I   234_B      I   234_A    76.921     0    0.648   1.086    79.979    0.000    0.000
LGA    L   235_B      L   235_A    73.943     0    0.041   1.338    76.210    0.000    0.000
LGA    L   236_B      L   236_A    69.748     0    0.064   0.178    71.091    0.000    0.000
LGA    Y   237_B      Y   237_A    69.420     0    0.019   1.263    70.010    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):    21.534         21.490                 22.085           68.250   65.934

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  237  213    4.0    149    0.48    69.484    65.044    25.692

LGA_LOCAL      RMSD:   0.480  Number of atoms:  149  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  40.817  Number of assigned atoms:  213 
Std_ASGN_ATOMS RMSD:  21.534  Standard rmsd on all 213 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.663367 * X  +   0.748293 * Y  +  -0.001217 * Z  +  19.093010
  Y_new =  -0.009740 * X  +  -0.007009 * Y  +   0.999928 * Z  +  16.157429
  Z_new =   0.748231 * X  +   0.663331 * Y  +   0.011938 * Z  +  58.807499 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.126911 -0.845391  1.552801   [DEG: -179.1588  -48.4373   88.9690 ]
ZXZ: -3.140376  1.558858  0.845471   [DEG: -179.9303   89.3160   48.4419 ]
 
# END of job
