
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       2.00     2.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       2.00     2.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      30_B - 101_B       0.94     2.09
  LONGEST_CONTINUOUS_SEGMENT:    72      31_B - 102_B       0.94     2.07
  LCS_AVERAGE:     39.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     Q     1_B     Q     1_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     15  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     44  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     23  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     21  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     71  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128     49  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128      6   83  109  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      3    8   19   82  112  119  120  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      4  128  128      3    3    6    7   11   19   47   78  121  123  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     72  128  128      3   12   57  106  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     72  128  128      3    3    4    6   94  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     72  128  128      3   67  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     72  128  128     70  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     72  128  128     61  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     72  128  128     34  100  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     72  128  128     23  100  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     72  128  128     71  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     72  128  128     68  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     72  128  128     56  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     72  128  128     56  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     72  128  128     56  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     72  128  128     61  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     72  128  128      4   12   36   51  108  118  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     72  128  128     71  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     72  128  128      9   98  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     72  128  128     11   70  109  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     72  128  128     10   70  109  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     72  128  128     51  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     72  128  128     48  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     72  128  128     63  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     72  128  128     47  100  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     72  128  128     71  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     72  128  128     56  100  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     72  128  128     70  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     72  128  128     59  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     72  128  128     33  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     72  128  128     67  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     72  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     72  128  128     63  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     72  128  128     28   94  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     72  128  128      3   21   87  112  115  118  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     11  128  128      3    4   11   18   28   64  111  119  121  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      5  128  128      3    4    8   13   13   21   27   41   53   80  109  124  124  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  128  128      3    4   14   20   41   92  114  119  121  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      4  128  128      3    5    6    8    9   38  114  119  121  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4  128  128      3    4    4    5    5    8   28   53   62  116  125  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      5  128  128      3   27   49   93  117  119  121  122  122  123  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128      4   89  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128      6   81  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128      6   85  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     48   97  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128     22   94  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     59  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     59  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     73  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     23  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128     23  101  111  116  117  119  121  122  122  124  126  126  127  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.84  (  39.53  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     73    101    111    116    117    119    121    122    122    124    126    126    127    128    128    128    128    128    128    128 
GDT PERCENT_AT  57.03  78.91  86.72  90.62  91.41  92.97  94.53  95.31  95.31  96.88  98.44  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.52   0.63   0.73   0.78   0.88   0.99   1.05   1.05   1.53   1.64   1.69   1.76   2.00   2.00   2.00   2.00   2.00   2.00   2.00
GDT RMS_ALL_AT   2.07   2.09   2.06   2.07   2.08   2.09   2.07   2.08   2.08   2.01   2.01   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   115_B      Y   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.303     0    0.041   1.321     4.794  100.000   79.841
LGA    V     2_B      V     2_B     0.188     0    0.018   0.077     0.374  100.000  100.000
LGA    Q     3_B      Q     3_B     0.109     0    0.000   0.753     2.523  100.000   92.063
LGA    L     4_B      L     4_B     0.187     0    0.000   0.888     2.387  100.000   91.012
LGA    V     5_B      V     5_B     0.242     0    0.067   0.101     0.469  100.000  100.000
LGA    E     6_B      E     6_B     0.058     0    0.029   0.185     0.723  100.000   98.942
LGA    S     7_B      S     7_B     0.142     0    0.038   0.049     0.228  100.000  100.000
LGA    G     8_B      G     8_B     0.155     0    0.044   0.044     0.287  100.000  100.000
LGA    G     9_B      G     9_B     0.221     0    0.124   0.124     0.311  100.000  100.000
LGA    G    10_B      G    10_B     1.076     0    0.042   0.042     1.076   90.595   90.595
LGA    S    11_B      S    11_B     0.486     0    0.223   0.555     2.813   84.167   80.714
LGA    V    12_B      V    12_B     0.720     0    0.139   1.129     2.371   92.857   84.490
LGA    Q    13_B      Q    13_B     1.159     0    0.036   0.731     4.943   88.214   62.593
LGA    A    14_B      A    14_B     1.014     0    0.069   0.077     1.088   85.952   85.048
LGA    G    15_B      G    15_B     0.357     0    0.090   0.090     0.525   97.619   97.619
LGA    G    16_B      G    16_B     0.445     0    0.046   0.046     0.445  100.000  100.000
LGA    S    17_B      S    17_B     0.521     0    0.063   0.114     0.749   92.857   92.063
LGA    L    18_B      L    18_B     0.365     0    0.000   1.117     3.611  100.000   87.321
LGA    R    19_B      R    19_B     0.228     0    0.055   0.690     3.091  100.000   92.900
LGA    L    20_B      L    20_B     0.178     0    0.020   0.071     0.252  100.000  100.000
LGA    S    21_B      S    21_B     0.285     0    0.035   0.090     0.462  100.000  100.000
LGA    C    22_B      C    22_B     0.545     0    0.054   0.218     1.097   92.857   90.556
LGA    A    23_B      A    23_B     0.727     0    0.099   0.107     0.771   90.476   90.476
LGA    A    24_B      A    24_B     0.326     0    0.050   0.056     0.405  100.000  100.000
LGA    S    25_B      S    25_B     0.406     0    0.055   0.704     1.840   92.976   90.794
LGA    G    26_B      G    26_B     1.124     0    0.089   0.089     1.842   81.548   81.548
LGA    Y    27_B      Y    27_B     1.931     0    0.596   0.804     4.820   56.786   68.333
LGA    T    28_B      T    28_B     3.952     0    0.536   1.287     7.649   36.548   27.551
LGA    Y    29_B      Y    29_B     5.886     0    0.627   1.311    13.408   27.619    9.841
LGA    S    30_B      S    30_B     3.424     0    0.611   0.817     4.359   43.571   49.524
LGA    M    31_B      M    31_B     3.088     0    0.656   1.117     9.216   59.405   36.845
LGA    Y    32_B      Y    32_B     1.958     0    0.560   1.381    13.836   72.976   29.762
LGA    C    33_B      C    33_B     0.502     0    0.071   0.230     2.104   95.238   87.857
LGA    M    34_B      M    34_B     0.586     0    0.051   0.906     3.897   92.857   82.560
LGA    G    35_B      G    35_B     0.733     0    0.038   0.038     0.733   90.476   90.476
LGA    W    36_B      W    36_B     0.398     0    0.056   0.044     0.470  100.000  100.000
LGA    F    37_B      F    37_B     0.405     0    0.030   0.103     1.090  100.000   93.160
LGA    R    38_B      R    38_B     0.243     0    0.049   0.989     2.834  100.000   90.996
LGA    Q    39_B      Q    39_B     0.284     0    0.038   0.110     0.917  100.000   95.767
LGA    A    40_B      A    40_B     1.010     0    0.055   0.068     1.031   88.214   86.857
LGA    P    41_B      P    41_B     1.103     0    0.035   0.160     1.253   88.333   85.374
LGA    G    42_B      G    42_B     0.749     0    0.309   0.309     1.383   88.214   88.214
LGA    K    43_B      K    43_B     0.458     0    0.080   0.763     4.071   97.619   84.868
LGA    E    44_B      E    44_B     0.392     0    0.043   0.658     1.537  100.000   89.788
LGA    R    45_B      R    45_B     0.638     0    0.048   0.900     4.940   90.476   75.931
LGA    E    46_B      E    46_B     0.882     0    0.044   0.190     1.068   90.476   88.466
LGA    G    47_B      G    47_B     0.770     0    0.027   0.027     0.905   92.857   92.857
LGA    V    48_B      V    48_B     0.036     0    0.020   0.114     0.676  100.000   97.279
LGA    A    49_B      A    49_B     0.806     0    0.068   0.074     1.023   92.857   90.571
LGA    G    50_B      G    50_B     0.289     0    0.062   0.062     0.462  100.000  100.000
LGA    I    51_B      I    51_B     0.184     0    0.057   1.092     2.619   97.619   84.464
LGA    C    52_B      C    52_B     0.704     0    0.060   0.843     5.057   78.333   66.111
LGA    A    53_B      A    53_B     3.448     0    0.459   0.427     5.146   49.762   45.048
LGA    N    54_B      N    54_B     0.371     0    0.348   0.937     4.650   86.190   69.226
LGA    G    55_B      G    55_B     1.227     0    0.090   0.090     1.713   81.548   81.548
LGA    K    56_B      K    56_B     1.871     0    0.054   1.225     5.648   68.810   62.857
LGA    A    57_B      A    57_B     1.900     0    0.174   0.193     2.019   72.857   71.238
LGA    I    58_B      I    58_B     0.896     0    0.083   1.173     2.786   85.952   77.619
LGA    H    59_B      H    59_B     0.934     0    0.053   0.161     1.460   90.476   85.048
LGA    Y    60_B      Y    60_B     0.577     0    0.030   0.177     0.871   90.476   92.857
LGA    V    61_B      V    61_B     0.769     0    0.045   1.260     3.437   90.476   81.020
LGA    D    62_B      D    62_B     0.543     0    0.046   0.272     1.418   90.476   89.345
LGA    S    63_B      S    63_B     0.887     0    0.203   0.192     1.237   88.214   85.952
LGA    V    64_B      V    64_B     0.511     0    0.093   0.259     0.815   92.857   93.197
LGA    K    65_B      K    65_B     0.352     0    0.039   0.147     0.588   97.619   97.884
LGA    G    66_B      G    66_B     0.548     0    0.123   0.123     0.621   92.857   92.857
LGA    R    67_B      R    67_B     0.543     0    0.015   1.050     3.014   90.476   86.104
LGA    F    68_B      F    68_B     0.456     0    0.043   0.361     1.381  100.000   95.758
LGA    T    69_B      T    69_B     0.370     0    0.073   0.074     0.596   97.619   98.639
LGA    I    70_B      I    70_B     0.237     0    0.000   0.098     0.445  100.000  100.000
LGA    S    71_B      S    71_B     0.092     0    0.034   0.083     0.348  100.000  100.000
LGA    Q    72_B      Q    72_B     0.488     0    0.007   0.708     1.576   95.238   90.635
LGA    D    73_B      D    73_B     0.564     0    0.051   0.134     1.077   90.476   89.345
LGA    N    74_B      N    74_B     0.702     0    0.035   1.046     2.672   90.476   84.107
LGA    A    75_B      A    75_B     0.957     0    0.030   0.045     1.046   90.476   88.667
LGA    K    76_B      K    76_B     0.485     0    0.040   1.059     2.789   97.619   84.127
LGA    N    77_B      N    77_B     0.579     0    0.055   0.199     2.114   97.619   88.571
LGA    T    78_B      T    78_B     0.301     0    0.000   0.852     2.091  100.000   91.088
LGA    V    79_B      V    79_B     0.162     0    0.027   1.132     2.766  100.000   90.000
LGA    Y    80_B      Y    80_B     0.173     0    0.015   0.057     0.639  100.000   97.619
LGA    L    81_B      L    81_B     0.337     0    0.075   0.085     0.435  100.000  100.000
LGA    Q    82_B      Q    82_B     0.489     0    0.075   0.146     0.573   97.619   96.825
LGA    M    83_B      M    83_B     0.535     0    0.134   0.163     0.889   95.238   92.857
LGA    N    84_B      N    84_B     0.429     0    0.035   0.114     0.919   95.238   92.857
LGA    S    85_B      S    85_B     0.389     0    0.034   0.040     0.632  100.000   96.825
LGA    L    86_B      L    86_B     0.257     0    0.018   0.533     1.485  100.000   95.298
LGA    K    87_B      K    87_B     0.418     0    0.055   1.033     3.649  100.000   86.508
LGA    P    88_B      P    88_B     0.338     0    0.059   0.110     0.719   97.619   94.558
LGA    E    89_B      E    89_B     0.520     0    0.050   0.391     1.344   92.857   91.587
LGA    D    90_B      D    90_B     0.345     0    0.041   0.174     0.480  100.000  100.000
LGA    T    91_B      T    91_B     0.227     0    0.031   0.092     0.723  100.000   98.639
LGA    A    92_B      A    92_B     0.235     0    0.049   0.053     0.333  100.000  100.000
LGA    M    93_B      M    93_B     0.362     0    0.075   1.127     2.140  100.000   88.810
LGA    Y    94_B      Y    94_B     0.305     0    0.025   0.116     0.322  100.000  100.000
LGA    Y    95_B      Y    95_B     0.251     0    0.018   0.093     0.431  100.000  100.000
LGA    C    96_B      C    96_B     0.398     0    0.055   0.564     1.748  100.000   93.889
LGA    A    97_B      A    97_B     0.193     0    0.000   0.044     0.513   97.619   98.095
LGA    A    98_B      A    98_B     0.254     0    0.014   0.061     0.315  100.000  100.000
LGA    D    99_B      D    99_B     0.261     0    0.035   1.219     4.265  100.000   82.143
LGA    S   100_B      S   100_B     0.709     0    0.088   0.149     0.798   90.476   92.063
LGA    R   101_B      R   101_B     1.534     0    0.153   1.121     4.774   75.000   52.857
LGA    G   102_B      G   102_B     3.560     0    0.166   0.166     5.150   41.429   41.429
LGA    G   103_B      G   103_B     8.075     0    0.066   0.066     8.771    7.381    7.381
LGA    I   104_B      I   104_B    11.666     0    0.583   1.234    17.471    0.000    0.000
LGA    W   105_B      W   105_B     8.115     0    0.339   0.424     9.638    7.381    9.864
LGA    Y   106_B      Y   106_B     7.398     0    0.119   0.648    14.238   10.952    4.286
LGA    E   107_B      E   107_B     7.844     0    0.161   1.069    11.050   10.595    5.026
LGA    Q   108_B      Q   108_B     3.210     0    0.677   1.196     9.098   48.452   34.974
LGA    Q   109_B      Q   109_B     1.429     0    0.106   0.857     4.764   79.286   63.704
LGA    L   110_B      L   110_B     1.612     0    0.210   1.000     4.885   79.405   62.440
LGA    S   111_B      S   111_B     1.411     0    0.083   0.153     1.801   85.952   81.587
LGA    T   112_B      T   112_B     0.106     0    0.073   1.003     2.106   97.619   89.728
LGA    L   113_B      L   113_B     1.335     0    0.049   1.392     4.458   79.405   68.690
LGA    R   114_B      R   114_B     1.587     0    0.034   1.077     2.716   77.143   74.632
LGA    Y   115_B      Y   115_B     0.864     0    0.048   0.186     1.423   85.952   85.952
LGA    N   116_B      N   116_B     0.822     0    0.057   1.143     4.911   90.476   71.012
LGA    Y   117_B      Y   117_B     0.449     0    0.028   0.187     2.843  100.000   80.754
LGA    W   118_B      W   118_B     0.318     0    0.058   0.137     0.914  100.000   93.197
LGA    G   119_B      G   119_B     0.431     0    0.042   0.042     0.503   97.619   97.619
LGA    Q   120_B      Q   120_B     0.274     0    0.146   1.096     6.088   97.619   68.095
LGA    G   121_B      G   121_B     0.491     0    0.082   0.082     0.720   95.238   95.238
LGA    T   122_B      T   122_B     0.313     0    0.030   0.121     0.548  100.000   98.639
LGA    Q   123_B      Q   123_B     0.323     0    0.000   0.871     4.056  100.000   80.370
LGA    V   124_B      V   124_B     0.243     0    0.050   0.151     0.757  100.000   98.639
LGA    T   125_B      T   125_B     0.322     0    0.059   1.297     2.794   95.238   86.122
LGA    V   126_B      V   126_B     0.500     0    0.022   0.068     0.818   95.238   95.918
LGA    S   127_B      S   127_B     1.158     0    0.043   0.682     2.053   83.690   80.159
LGA    S   128_B      S   128_B     1.280     0    0.077   0.117     1.388   81.429   81.429

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.997          1.960                  2.894           87.409   82.055

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    122    1.05    91.211    94.627    10.643

LGA_LOCAL      RMSD:   1.046  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.076  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.997  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.963700 * X  +  -0.194739 * Y  +   0.182643 * Z  + 177.979492
  Y_new =   0.259663 * X  +  -0.524503 * Y  +   0.810847 * Z  + -14.477358
  Z_new =  -0.062107 * X  +   0.828839 * Y  +   0.556030 * Z  + -225.186569 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.878400  0.062147  0.979900   [DEG:  164.9202    3.5607   56.1441 ]
ZXZ:  2.920040  0.981195 -0.074792   [DEG:  167.3060   56.2183   -4.2853 ]
 
# END of job
