
#######################################################
#                                                     #
#                        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  222 ( 1752),  selected  220 , name one
# Molecule2: number of CA atoms  223 ( 1763),  selected  220 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       4.36    46.93
  LCS_AVERAGE:     50.47

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   110       3_A - 112_A       1.62    48.42
  LCS_AVERAGE:     48.48

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       3_A - 110_A       0.85    48.65
  LCS_AVERAGE:     46.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  220
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     E     3_A     E     3_A    108  110  114      3   18   77  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     N     4_A     N     4_A    108  110  114     35  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     N     5_A     N     5_A    108  110  114     64  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Q     6_A     Q     6_A    108  110  114     55  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     S     7_A     S     7_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P     8_A     P     8_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Y     9_A     Y     9_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     F    10_A     F    10_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    11_A     T    11_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     M    12_A     M    12_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P    13_A     P    13_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     S    14_A     S    14_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Y    15_A     Y    15_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Q    16_A     Q    16_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     G    17_A     G    17_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Y    18_A     Y    18_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     I    19_A     I    19_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    20_A     L    20_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E    21_A     E    21_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     S    22_A     S    22_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     A    23_A     A    23_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P    24_A     P    24_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V    25_A     V    25_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     G    26_A     G    26_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     A    27_A     A    27_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    28_A     T    28_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     I    29_A     I    29_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     S    30_A     S    30_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E    31_A     E    31_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     S    32_A     S    32_A    108  110  114     51  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    33_A     L    33_A    108  110  114     40  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     N    34_A     N    34_A    108  110  114     40  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    35_A     L    35_A    108  110  114     40  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    36_A     T    36_A    108  110  114     27  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    37_A     T    37_A    108  110  114     68  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P    38_A     P    38_A    108  110  114     44  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    39_A     L    39_A    108  110  114     71  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     R    40_A     R    40_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     I    41_A     I    41_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V    42_A     V    42_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     A    43_A     A    43_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    44_A     L    44_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     D    45_A     D    45_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     K    46_A     K    46_A    108  110  114     29  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     D    47_A     D    47_A    108  110  114     35  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     I    48_A     I    48_A    108  110  114     48  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E    49_A     E    49_A    108  110  114      5   60  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     D    50_A     D    50_A    108  110  114      3   16   97  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    51_A     T    51_A    108  110  114     58  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     K    52_A     K    52_A    108  110  114     60  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     D    53_A     D    53_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P    54_A     P    54_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E    55_A     E    55_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    56_A     L    56_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     H    57_A     H    57_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    58_A     L    58_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     F    59_A     F    59_A    108  110  114     33  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    60_A     L    60_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     N    61_A     N    61_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     D    62_A     D    62_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Y    63_A     Y    63_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    64_A     T    64_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     S    65_A     S    65_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V    66_A     V    66_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     F    67_A     F    67_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    68_A     T    68_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V    69_A     V    69_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    70_A     T    70_A    108  110  114     55  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P    71_A     P    71_A    108  110  114      3   25  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    72_A     T    72_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     G    73_A     G    73_A    108  110  114     72  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     I    74_A     I    74_A    108  110  114     58  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    75_A     T    75_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     R    76_A     R    76_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Y    77_A     Y    77_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    78_A     L    78_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    79_A     T    79_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    80_A     L    80_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    81_A     L    81_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Q    82_A     Q    82_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P    83_A     P    83_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V    84_A     V    84_A    108  110  114     61  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     D    85_A     D    85_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     R    86_A     R    86_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E    87_A     E    87_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E    88_A     E    88_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Q    89_A     Q    89_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Q    90_A     Q    90_A    108  110  114     68  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    91_A     T    91_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Y    92_A     Y    92_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    93_A     T    93_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     F    94_A     F    94_A    108  110  114     60  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     L    95_A     L    95_A    108  110  114     59  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     I    96_A     I    96_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     T    97_A     T    97_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     A    98_A     A    98_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     F    99_A     F    99_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     D   100_A     D   100_A    108  110  114     61  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     G   101_A     G   101_A    108  110  114     58  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V   102_A     V   102_A    108  110  114     58  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     Q   103_A     Q   103_A    108  110  114     58  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E   104_A     E   104_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     S   105_A     S   105_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     E   106_A     E   106_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     P   107_A     P   107_A    108  110  114     73  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V   108_A     V   108_A    108  110  114     72  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V   109_A     V   109_A    108  110  114     61  103  105  106  107  107  107  107  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     V   110_A     V   110_A    108  110  114      4    8    9   10   32   53   85  102  108  108  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     N   111_A     N   111_A      8  110  114      4    8   11   19   34   53   71   81  101  107  109  109  109  109  109  110  110  110  110  111 
LCS_GDT     I   112_A     I   112_A      8  110  114      4    8    9   10   12   16   18   28   39   61   72   80   87  104  106  110  110  110  110  111 
LCS_GDT     R   113_A     R   113_A      8   11  114      3    8    9   10   12   14   17   22   31   40   58   66   74   80   86   93  102  106  110  111 
LCS_GDT     V   114_A     V   114_A      8   11  114      3    8    9   10   12   14   17   20   22   24   32   40   54   64   76   88   96  103  104  107 
LCS_GDT     M   115_A     M   115_A      8  108  114      3    8    9   10   12   14   17   20   26   42   62   80   95  103  106  106  108  108  108  108 
LCS_GDT     D   116_A     D   116_A      8  108  114      3    5    9   22   36   57   84  101  104  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   117_A     A   117_A    106  108  111      3    5   22   56   91  103  104  104  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   118_A     N   118_A    106  108  111     22  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   119_A     D   119_A    106  108  111     31  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   120_A     N   120_A    106  108  111      8  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   121_A     A   121_A    106  108  111     31  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     P   122_A     P   122_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   123_A     V   123_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     F   124_A     F   124_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   125_A     D   125_A    106  108  111     74  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     P   126_A     P   126_A    106  108  111     24   78  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     Y   127_A     Y   127_A    106  108  111     28  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   128_A     L   128_A    106  108  111      6   49  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     P   129_A     P   129_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     R   130_A     R   130_A    106  108  111     34  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   131_A     N   131_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   132_A     L   132_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     S   133_A     S   133_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   134_A     V   134_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   135_A     V   135_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     E   136_A     E   136_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     E   137_A     E   137_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     E   138_A     E   138_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   139_A     A   139_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   140_A     N   140_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   141_A     A   141_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     F   142_A     F   142_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   143_A     V   143_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     G   144_A     G   144_A    106  108  111     74  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     Q   145_A     Q   145_A    106  108  111     73  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   146_A     V   146_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     R   147_A     R   147_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   148_A     A   148_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     T   149_A     T   149_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   150_A     D   150_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     P   151_A     P   151_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   152_A     D   152_A    106  108  111     71  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   153_A     A   153_A    106  108  111     58  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     G   154_A     G   154_A    106  108  111     70  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     I   155_A     I   155_A    106  108  111     78  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   156_A     N   156_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     G   157_A     G   157_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     Q   158_A     Q   158_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   159_A     V   159_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     H   160_A     H   160_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     Y   161_A     Y   161_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     S   162_A     S   162_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   163_A     L   163_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     G   164_A     G   164_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   165_A     N   165_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     F   166_A     F   166_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   167_A     N   167_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   168_A     N   168_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   169_A     L   169_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     F   170_A     F   170_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     R   171_A     R   171_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     I   172_A     I   172_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     T   173_A     T   173_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     S   174_A     S   174_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   175_A     N   175_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     G   176_A     G   176_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     S   177_A     S   177_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     I   178_A     I   178_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     Y   179_A     Y   179_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     T   180_A     T   180_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   181_A     A   181_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   182_A     V   182_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     K   183_A     K   183_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   184_A     L   184_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   185_A     N   185_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     R   186_A     R   186_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     E   187_A     E   187_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   188_A     A   188_A    106  108  111     67  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     R   189_A     R   189_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   190_A     D   190_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     H   191_A     H   191_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     Y   192_A     Y   192_A    106  108  111     81  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     E   193_A     E   193_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   194_A     L   194_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   195_A     V   195_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   196_A     V   196_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   197_A     V   197_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   198_A     A   198_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     T   199_A     T   199_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   200_A     D   200_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     G   201_A     G   201_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     A   202_A     A   202_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   203_A     V   203_A    106  108  111     74  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     H   204_A     H   204_A    106  108  111     77  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     P   205_A     P   205_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     R   206_A     R   206_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     H   207_A     H   207_A    106  108  111     81  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     S   208_A     S   208_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     T   209_A     T   209_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   210_A     L   210_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     T   211_A     T   211_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   212_A     L   212_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     Y   213_A     Y   213_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     I   214_A     I   214_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     K   215_A     K   215_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     V   216_A     V   216_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     L   217_A     L   217_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   218_A     D   218_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     I   219_A     I   219_A    106  108  111     82  100  102  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   220_A     D   220_A    106  108  111      3   75  100  103  103  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     D   221_A     D   221_A    106  108  111      3    7   44   68   97  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_GDT     N   222_A     N   222_A    106  108  111      3    3    3    3   94  104  105  105  106  107  107  107  107  107  107  107  108  108  108  108 
LCS_AVERAGE  LCS_A:  48.58  (  46.78   48.48   50.47 )

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     82    103    105    106    107    107    107    107    108    108    109    109    109    109    109    110    110    110    110    111 
GDT PERCENT_AT  36.77  46.19  47.09  47.53  47.98  47.98  47.98  47.98  48.43  48.43  48.88  48.88  48.88  48.88  48.88  49.33  49.33  49.33  49.33  49.78
GDT RMS_LOCAL    0.28   0.52   0.56   0.59   0.65   0.65   0.65   0.65   0.85   0.85   1.14   1.14   1.14   1.14   1.14   1.62   1.62   1.62   1.62   2.20
GDT RMS_ALL_AT  41.97  48.71  48.69  48.69  48.69  48.69  48.69  48.69  48.65  48.65  48.55  48.55  48.55  48.55  48.55  48.42  48.42  48.42  48.42  48.17

# Checking swapping
#   possible swapping detected:  E     3_A      E     3_A
#   possible swapping detected:  Y    18_A      Y    18_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  E    87_A      E    87_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  F    94_A      F    94_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   116_A      D   116_A
#   possible swapping detected:  D   119_A      D   119_A
#   possible swapping detected:  F   124_A      F   124_A
#   possible swapping detected:  D   125_A      D   125_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  F   142_A      F   142_A
#   possible swapping detected:  D   150_A      D   150_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  Y   161_A      Y   161_A
#   possible swapping detected:  F   166_A      F   166_A
#   possible swapping detected:  F   170_A      F   170_A
#   possible swapping detected:  E   187_A      E   187_A
#   possible swapping detected:  Y   192_A      Y   192_A
#   possible swapping detected:  E   193_A      E   193_A
#   possible swapping detected:  D   220_A      D   220_A
#   possible swapping detected:  D   221_A      D   221_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     3_A      E     3_A     2.596     0    0.434   0.737     5.073   59.524   46.032
LGA    N     4_A      N     4_A     0.903     0    0.203   0.397     1.403   88.214   87.083
LGA    N     5_A      N     5_A     0.512     0    0.081   0.775     2.053   90.476   87.321
LGA    Q     6_A      Q     6_A     0.732     0    0.042   0.179     2.198   90.476   81.693
LGA    S     7_A      S     7_A     0.433     0    0.054   0.637     1.802   97.619   92.302
LGA    P     8_A      P     8_A     0.377     0    0.067   0.460     1.453  100.000   95.986
LGA    Y     9_A      Y     9_A     0.348     0    0.033   0.119     0.470  100.000  100.000
LGA    F    10_A      F    10_A     0.329     0    0.019   0.098     0.488  100.000  100.000
LGA    T    11_A      T    11_A     0.135     0    0.051   0.178     0.712  100.000   98.639
LGA    M    12_A      M    12_A     0.346     0    0.055   0.751     2.562  100.000   94.643
LGA    P    13_A      P    13_A     0.613     0    0.041   0.070     0.800   92.857   91.837
LGA    S    14_A      S    14_A     0.163     0    0.024   0.054     0.218  100.000  100.000
LGA    Y    15_A      Y    15_A     0.432     0    0.039   0.104     0.604   97.619   97.619
LGA    Q    16_A      Q    16_A     0.380     0    0.036   0.100     0.559  100.000   97.884
LGA    G    17_A      G    17_A     0.196     0    0.016   0.016     0.223  100.000  100.000
LGA    Y    18_A      Y    18_A     0.267     0    0.042   0.090     0.566  100.000   98.413
LGA    I    19_A      I    19_A     0.252     0    0.082   0.222     0.835   97.619   97.619
LGA    L    20_A      L    20_A     0.230     0    0.061   0.075     0.436  100.000  100.000
LGA    E    21_A      E    21_A     0.309     0    0.028   0.233     1.396  100.000   94.815
LGA    S    22_A      S    22_A     0.369     0    0.037   0.064     0.640   97.619   98.413
LGA    A    23_A      A    23_A     0.285     0    0.074   0.071     0.424  100.000  100.000
LGA    P    24_A      P    24_A     0.435     0    0.039   0.108     0.683  100.000   95.918
LGA    V    25_A      V    25_A     0.255     0    0.039   0.064     0.301  100.000  100.000
LGA    G    26_A      G    26_A     0.217     0    0.024   0.024     0.356  100.000  100.000
LGA    A    27_A      A    27_A     0.375     0    0.053   0.050     0.456  100.000  100.000
LGA    T    28_A      T    28_A     0.275     0    0.036   0.112     0.446  100.000  100.000
LGA    I    29_A      I    29_A     0.142     0    0.033   0.539     1.506  100.000   95.417
LGA    S    30_A      S    30_A     0.112     0    0.029   0.710     2.411  100.000   94.127
LGA    E    31_A      E    31_A     0.221     0    0.037   0.346     1.478   97.619   95.820
LGA    S    32_A      S    32_A     0.896     0    0.052   0.090     1.513   90.476   86.032
LGA    L    33_A      L    33_A     0.966     0    0.056   1.089     2.821   90.476   79.881
LGA    N    34_A      N    34_A     1.012     0    0.020   1.153     3.879   88.214   78.988
LGA    L    35_A      L    35_A     0.872     0    0.135   0.135     1.269   88.214   89.345
LGA    T    36_A      T    36_A     0.855     0    0.370   0.385     2.234   84.048   86.803
LGA    T    37_A      T    37_A     0.629     0    0.087   0.247     0.795   90.476   90.476
LGA    P    38_A      P    38_A     0.870     0    0.056   0.091     1.253   88.214   86.599
LGA    L    39_A      L    39_A     0.527     0    0.092   0.105     0.636   95.238   96.429
LGA    R    40_A      R    40_A     0.236     0    0.086   1.366     5.983  100.000   76.667
LGA    I    41_A      I    41_A     0.287     0    0.077   0.101     0.446  100.000  100.000
LGA    V    42_A      V    42_A     0.317     0    0.023   0.074     0.495  100.000  100.000
LGA    A    43_A      A    43_A     0.380     0    0.029   0.031     0.468  100.000  100.000
LGA    L    44_A      L    44_A     0.362     0    0.032   0.081     0.687  100.000   97.619
LGA    D    45_A      D    45_A     0.176     0    0.131   0.234     1.401   92.976   94.167
LGA    K    46_A      K    46_A     0.868     0    0.061   0.857     7.398   88.214   65.079
LGA    D    47_A      D    47_A     0.943     0    0.094   0.462     2.332   90.476   82.798
LGA    I    48_A      I    48_A     0.769     0    0.043   0.601     1.156   90.476   89.405
LGA    E    49_A      E    49_A     1.529     0    0.109   0.900     4.149   77.143   63.386
LGA    D    50_A      D    50_A     2.141     0    0.705   0.649     4.827   56.548   58.810
LGA    T    51_A      T    51_A     0.770     0    0.022   0.125     1.019   90.476   89.184
LGA    K    52_A      K    52_A     0.684     0    0.049   0.699     1.830   90.476   85.556
LGA    D    53_A      D    53_A     0.378     0    0.032   0.099     0.585   97.619   98.810
LGA    P    54_A      P    54_A     0.092     0    0.052   0.074     0.291  100.000  100.000
LGA    E    55_A      E    55_A     0.183     0    0.082   0.210     1.325   97.619   95.820
LGA    L    56_A      L    56_A     0.159     0    0.175   0.218     0.764   97.619   98.810
LGA    H    57_A      H    57_A     0.532     0    0.048   1.210     5.868   90.476   62.667
LGA    L    58_A      L    58_A     0.512     0    0.021   0.088     0.752   90.476   91.667
LGA    F    59_A      F    59_A     0.828     0    0.054   1.254     5.301   92.857   69.827
LGA    L    60_A      L    60_A     0.402     0    0.050   0.184     0.883  100.000   97.619
LGA    N    61_A      N    61_A     0.417     0    0.086   0.292     0.795   97.619   97.619
LGA    D    62_A      D    62_A     0.138     0    0.014   0.130     0.516  100.000   98.810
LGA    Y    63_A      Y    63_A     0.133     0    0.045   0.096     0.429  100.000  100.000
LGA    T    64_A      T    64_A     0.326     0    0.032   0.079     0.561  100.000   98.639
LGA    S    65_A      S    65_A     0.380     0    0.093   0.166     1.019  100.000   95.317
LGA    V    66_A      V    66_A     0.398     0    0.031   0.060     0.531  100.000   98.639
LGA    F    67_A      F    67_A     0.291     0    0.058   0.103     0.376  100.000  100.000
LGA    T    68_A      T    68_A     0.393     0    0.038   0.090     0.474  100.000  100.000
LGA    V    69_A      V    69_A     0.370     0    0.054   1.123     2.548   97.619   86.122
LGA    T    70_A      T    70_A     0.645     0    0.036   0.044     0.846   92.857   93.197
LGA    P    71_A      P    71_A     1.500     0    0.084   0.144     2.365   77.143   72.993
LGA    T    72_A      T    72_A     0.170     0    0.040   0.133     1.014   97.619   95.986
LGA    G    73_A      G    73_A     0.613     0    0.152   0.152     1.393   90.595   90.595
LGA    I    74_A      I    74_A     0.643     0    0.044   0.091     0.824   90.476   91.667
LGA    T    75_A      T    75_A     0.510     0    0.017   0.057     0.872   95.238   93.197
LGA    R    76_A      R    76_A     0.284     0    0.036   1.150     3.717  100.000   85.671
LGA    Y    77_A      Y    77_A     0.332     0    0.074   0.171     0.639   97.619   99.206
LGA    L    78_A      L    78_A     0.156     0    0.022   0.199     0.890  100.000   98.810
LGA    T    79_A      T    79_A     0.101     0    0.014   0.070     0.308  100.000  100.000
LGA    L    80_A      L    80_A     0.125     0    0.047   0.111     0.290  100.000  100.000
LGA    L    81_A      L    81_A     0.346     0    0.019   0.065     0.858  100.000   96.429
LGA    Q    82_A      Q    82_A     0.444     0    0.061   0.710     2.135  100.000   87.884
LGA    P    83_A      P    83_A     0.607     0    0.040   0.036     0.754   90.476   90.476
LGA    V    84_A      V    84_A     0.749     0    0.100   0.144     1.196   88.214   89.184
LGA    D    85_A      D    85_A     0.332     0    0.103   0.580     1.584   97.619   94.226
LGA    R    86_A      R    86_A     0.530     0    0.049   0.336     1.620   92.857   92.338
LGA    E    87_A      E    87_A     0.803     0    0.142   0.245     1.289   88.214   87.460
LGA    E    88_A      E    88_A     0.440     0    0.046   0.996     3.871   95.238   82.698
LGA    Q    89_A      Q    89_A     0.514     0    0.107   0.131     0.884   90.476   95.767
LGA    Q    90_A      Q    90_A     0.741     0    0.026   1.215     3.127   92.857   76.825
LGA    T    91_A      T    91_A     0.329     0    0.038   1.163     2.485  100.000   88.571
LGA    Y    92_A      Y    92_A     0.327     0    0.050   0.105     0.714   97.619   96.825
LGA    T    93_A      T    93_A     0.188     0    0.142   0.131     0.694  100.000   97.279
LGA    F    94_A      F    94_A     0.673     0    0.159   0.207     1.441   88.214   91.385
LGA    L    95_A      L    95_A     0.808     0    0.110   0.907     2.657   90.476   84.107
LGA    I    96_A      I    96_A     0.336     0    0.091   1.212     2.976  100.000   85.833
LGA    T    97_A      T    97_A     0.405     0    0.017   0.054     0.614  100.000   97.279
LGA    A    98_A      A    98_A     0.363     0    0.064   0.078     0.746   97.619   98.095
LGA    F    99_A      F    99_A     0.614     0    0.028   0.052     1.124   92.857   88.874
LGA    D   100_A      D   100_A     0.860     0    0.084   0.190     1.290   85.952   88.214
LGA    G   101_A      G   101_A     0.934     0    0.035   0.035     1.097   88.214   88.214
LGA    V   102_A      V   102_A     0.966     0    0.071   0.134     1.254   88.214   85.306
LGA    Q   103_A      Q   103_A     0.892     0    0.044   0.877     1.676   90.476   85.503
LGA    E   104_A      E   104_A     0.572     0    0.015   0.163     1.655   95.238   87.619
LGA    S   105_A      S   105_A     0.501     0    0.042   0.066     0.539   95.238   93.651
LGA    E   106_A      E   106_A     0.446     0    0.056   0.259     1.305  100.000   90.688
LGA    P   107_A      P   107_A     0.294     0    0.093   0.401     1.729   97.619   93.401
LGA    V   108_A      V   108_A     0.629     0    0.451   1.403     2.977   86.429   78.639
LGA    V   109_A      V   109_A     0.742     0    0.170   0.830     4.758   67.381   58.299
LGA    V   110_A      V   110_A     5.807     0    0.048   0.203     9.624   35.238   22.653
LGA    N   111_A      N   111_A     8.131     0    0.108   1.011    12.416    2.976    2.738
LGA    I   112_A      I   112_A    12.372     0    0.111   0.190    15.042    0.000    0.000
LGA    R   113_A      R   113_A    16.462     0    0.064   0.315    27.412    0.000    0.000
LGA    V   114_A      V   114_A    19.912     0    0.183   1.061    21.491    0.000    0.000
LGA    M   115_A      M   115_A    25.747     0    0.075   1.295    29.822    0.000    0.000
LGA    D   116_A      D   116_A    28.792     0    0.262   1.263    33.161    0.000    0.000
LGA    A   117_A      A   117_A    35.432     0    0.064   0.069    36.685    0.000    0.000
LGA    N   118_A      N   118_A    38.687     0    0.346   1.201    43.224    0.000    0.000
LGA    D   119_A      D   119_A    40.434     0    0.115   1.105    41.731    0.000    0.000
LGA    N   120_A      N   120_A    40.415     0    0.252   1.180    42.775    0.000    0.000
LGA    A   121_A      A   121_A    44.237     0    0.072   0.073    46.614    0.000    0.000
LGA    P   122_A      P   122_A    43.951     0    0.068   0.093    46.656    0.000    0.000
LGA    V   123_A      V   123_A    44.622     0    0.038   0.061    45.286    0.000    0.000
LGA    F   124_A      F   124_A    48.337     0    0.051   1.219    54.813    0.000    0.000
LGA    D   125_A      D   125_A    46.480     0    0.059   1.102    50.282    0.000    0.000
LGA    P   126_A      P   126_A    48.966     0    0.056   0.105    51.536    0.000    0.000
LGA    Y   127_A      Y   127_A    50.058     0    0.129   0.177    53.172    0.000    0.000
LGA    L   128_A      L   128_A    54.626     0    0.083   0.155    57.491    0.000    0.000
LGA    P   129_A      P   129_A    60.789     0    0.107   0.185    62.327    0.000    0.000
LGA    R   130_A      R   130_A    64.659     0    0.055   1.243    68.823    0.000    0.000
LGA    N   131_A      N   131_A    70.427     0    0.032   0.372    71.599    0.000    0.000
LGA    L   132_A      L   132_A    72.790     0    0.041   0.051    77.068    0.000    0.000
LGA    S   133_A      S   133_A    79.044     0    0.022   0.094    80.173    0.000    0.000
LGA    V   134_A      V   134_A    82.663     0    0.014   0.051    86.876    0.000    0.000
LGA    V   135_A      V   135_A    89.246     0    0.010   1.092    91.535    0.000    0.000
LGA    E   136_A      E   136_A    94.102     0    0.035   0.282   101.445    0.000    0.000
LGA    E   137_A      E   137_A    97.527     0    0.123   1.012   102.502    0.000    0.000
LGA    E   138_A      E   138_A    91.980     0    0.033   0.970    93.568    0.000    0.000
LGA    A   139_A      A   139_A    88.282     0    0.070   0.116    90.226    0.000    0.000
LGA    N   140_A      N   140_A    81.551     0    0.083   0.209    83.754    0.000    0.000
LGA    A   141_A      A   141_A    81.371     0    0.023   0.029    83.369    0.000    0.000
LGA    F   142_A      F   142_A    74.785     0    0.026   0.215    77.309    0.000    0.000
LGA    V   143_A      V   143_A    73.736     0    0.068   0.103    76.309    0.000    0.000
LGA    G   144_A      G   144_A    66.861     0    0.032   0.032    69.184    0.000    0.000
LGA    Q   145_A      Q   145_A    59.998     0    0.052   0.860    62.377    0.000    0.000
LGA    V   146_A      V   146_A    55.723     0    0.030   0.084    58.905    0.000    0.000
LGA    R   147_A      R   147_A    49.343     0    0.052   1.290    51.610    0.000    0.000
LGA    A   148_A      A   148_A    45.727     0    0.017   0.022    47.041    0.000    0.000
LGA    T   149_A      T   149_A    39.656     0    0.053   0.089    41.799    0.000    0.000
LGA    D   150_A      D   150_A    37.154     0    0.093   1.100    38.793    0.000    0.000
LGA    P   151_A      P   151_A    31.982     0    0.022   0.056    35.190    0.000    0.000
LGA    D   152_A      D   152_A    31.823     0    0.060   1.010    36.203    0.000    0.000
LGA    A   153_A      A   153_A    28.760     0    0.032   0.050    30.576    0.000    0.000
LGA    G   154_A      G   154_A    29.617     0    0.045   0.045    32.354    0.000    0.000
LGA    I   155_A      I   155_A    34.476     0    0.040   1.296    37.171    0.000    0.000
LGA    N   156_A      N   156_A    35.608     0    0.124   0.167    37.121    0.000    0.000
LGA    G   157_A      G   157_A    34.788     0    0.030   0.030    36.325    0.000    0.000
LGA    Q   158_A      Q   158_A    38.004     0    0.142   0.938    41.113    0.000    0.000
LGA    V   159_A      V   159_A    43.687     0    0.047   0.087    46.151    0.000    0.000
LGA    H   160_A      H   160_A    49.329     0    0.008   0.184    51.642    0.000    0.000
LGA    Y   161_A      Y   161_A    55.236     0    0.019   1.256    57.959    0.000    0.000
LGA    S   162_A      S   162_A    61.431     0    0.047   0.078    63.208    0.000    0.000
LGA    L   163_A      L   163_A    67.481     0    0.043   0.074    71.302    0.000    0.000
LGA    G   164_A      G   164_A    70.317     0    0.069   0.069    74.393    0.000    0.000
LGA    N   165_A      N   165_A    76.891     0    0.042   0.067    78.550    0.000    0.000
LGA    F   166_A      F   166_A    81.033     0    0.049   1.425    85.600    0.000    0.000
LGA    N   167_A      N   167_A    77.434     0    0.031   0.982    79.155    0.000    0.000
LGA    N   168_A      N   168_A    83.590     0    0.027   1.085    88.842    0.000    0.000
LGA    L   169_A      L   169_A    84.282     0    0.029   0.118    89.727    0.000    0.000
LGA    F   170_A      F   170_A    77.611     0    0.036   1.228    81.347    0.000    0.000
LGA    R   171_A      R   171_A    71.929     0    0.021   1.561    75.478    0.000    0.000
LGA    I   172_A      I   172_A    65.019     0    0.064   0.114    67.382    0.000    0.000
LGA    T   173_A      T   173_A    60.671     0    0.020   0.288    63.293    0.000    0.000
LGA    S   174_A      S   174_A    53.988     0    0.028   0.101    56.560    0.000    0.000
LGA    N   175_A      N   175_A    52.660     0    0.021   1.332    55.670    0.000    0.000
LGA    G   176_A      G   176_A    55.931     0    0.022   0.022    59.110    0.000    0.000
LGA    S   177_A      S   177_A    61.851     0    0.036   0.062    64.109    0.000    0.000
LGA    I   178_A      I   178_A    67.725     0    0.034   0.053    70.494    0.000    0.000
LGA    Y   179_A      Y   179_A    74.036     0    0.034   1.228    76.137    0.000    0.000
LGA    T   180_A      T   180_A    80.670     0    0.022   0.067    83.672    0.000    0.000
LGA    A   181_A      A   181_A    82.081     0    0.033   0.050    85.463    0.000    0.000
LGA    V   182_A      V   182_A    89.159     0    0.012   0.062    90.420    0.000    0.000
LGA    K   183_A      K   183_A    93.817     0    0.040   0.763   102.925    0.000    0.000
LGA    L   184_A      L   184_A    93.669     0    0.049   0.129    97.211    0.000    0.000
LGA    N   185_A      N   185_A    99.923     0    0.089   0.860   106.350    0.000    0.000
LGA    R   186_A      R   186_A    99.477     0    0.044   1.010   104.960    0.000    0.000
LGA    E   187_A      E   187_A   106.583     0    0.121   0.230   109.550    0.000    0.000
LGA    A   188_A      A   188_A   104.841     0    0.026   0.027   105.250    0.000    0.000
LGA    R   189_A      R   189_A    98.358     0    0.105   0.985   100.470    0.000    0.000
LGA    D   190_A      D   190_A    94.427     0    0.094   0.253    96.300    0.000    0.000
LGA    H   191_A      H   191_A    88.564     0    0.088   1.081    90.979    0.000    0.000
LGA    Y   192_A      Y   192_A    83.851     0    0.038   1.264    92.276    0.000    0.000
LGA    E   193_A      E   193_A    78.660     0    0.017   0.844    83.367    0.000    0.000
LGA    L   194_A      L   194_A    74.219     0    0.016   0.047    75.418    0.000    0.000
LGA    V   195_A      V   195_A    69.629     0    0.014   0.035    72.523    0.000    0.000
LGA    V   196_A      V   196_A    63.498     0    0.015   0.103    65.426    0.000    0.000
LGA    V   197_A      V   197_A    59.395     0    0.064   0.076    63.279    0.000    0.000
LGA    A   198_A      A   198_A    52.593     0    0.021   0.035    54.939    0.000    0.000
LGA    T   199_A      T   199_A    50.289     0    0.044   0.069    54.369    0.000    0.000
LGA    D   200_A      D   200_A    44.066     0    0.028   0.332    46.285    0.000    0.000
LGA    G   201_A      G   201_A    42.009     0    0.033   0.033    42.200    0.000    0.000
LGA    A   202_A      A   202_A    41.139     0    0.053   0.085    44.543    0.000    0.000
LGA    V   203_A      V   203_A    43.721     0    0.049   1.215    47.853    0.000    0.000
LGA    H   204_A      H   204_A    47.903     0    0.041   0.173    50.093    0.000    0.000
LGA    P   205_A      P   205_A    48.149     0    0.018   0.112    51.084    0.000    0.000
LGA    R   206_A      R   206_A    49.358     0    0.047   0.622    49.916    0.000    0.000
LGA    H   207_A      H   207_A    52.539     0    0.020   0.127    60.034    0.000    0.000
LGA    S   208_A      S   208_A    54.282     0    0.024   0.124    56.236    0.000    0.000
LGA    T   209_A      T   209_A    59.544     0    0.058   0.177    62.811    0.000    0.000
LGA    L   210_A      L   210_A    60.982     0    0.075   0.563    64.388    0.000    0.000
LGA    T   211_A      T   211_A    67.486     0    0.026   0.091    71.865    0.000    0.000
LGA    L   212_A      L   212_A    69.271     0    0.036   0.106    73.476    0.000    0.000
LGA    Y   213_A      Y   213_A    74.887     0    0.073   1.278    75.711    0.000    0.000
LGA    I   214_A      I   214_A    78.380     0    0.035   0.617    82.652    0.000    0.000
LGA    K   215_A      K   215_A    83.975     0    0.022   0.877    87.726    0.000    0.000
LGA    V   216_A      V   216_A    89.043     0    0.045   0.071    92.192    0.000    0.000
LGA    L   217_A      L   217_A    91.473     0    0.036   0.079    94.430    0.000    0.000
LGA    D   218_A      D   218_A    98.706     0    0.018   0.319   104.516    0.000    0.000
LGA    I   219_A      I   219_A   102.533     0    0.105   1.120   106.120    0.000    0.000
LGA    D   220_A      D   220_A   108.701     0    0.229   0.478   113.737    0.000    0.000
LGA    D   221_A      D   221_A   111.696     0    0.097   1.115   115.321    0.000    0.000
LGA    N   222_A      N   222_A   117.779     0    0.637   0.557   119.744    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      220     880    880  100.00    1736   1736  100.00               223
SUMMARY(RMSD_GDC):    20.501         20.437                 21.199           45.475   43.708

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  223    4.0    107    0.65    47.758    48.105    14.360

LGA_LOCAL      RMSD:   0.645  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  48.686  Number of assigned atoms:  220 
Std_ASGN_ATOMS RMSD:  20.501  Standard rmsd on all 220 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.041189 * X  +  -0.573642 * Y  +   0.818070 * Z  +  79.199677
  Y_new =  -0.893481 * X  +   0.345323 * Y  +   0.287131 * Z  +  45.160984
  Z_new =  -0.447209 * X  +  -0.742756 * Y  +  -0.498314 * Z  +   5.646850 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.524729  0.463643 -2.161723   [DEG:  -87.3606   26.5648 -123.8576 ]
ZXZ:  1.908349  2.092450 -2.599635   [DEG:  109.3404  119.8885 -148.9481 ]
 
# END of job
