
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , 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:   126       7_B - 134_B       2.86     2.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55       8_B - 62_B        1.98     3.44
  LONGEST_CONTINUOUS_SEGMENT:    55       9_B - 63_B        1.92     3.47
  LONGEST_CONTINUOUS_SEGMENT:    55      10_B - 64_B        1.90     3.43
  LONGEST_CONTINUOUS_SEGMENT:    55      11_B - 65_B        1.98     3.30
  LCS_AVERAGE:     37.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      14_B - 44_B        0.94     3.10
  LCS_AVERAGE:     15.76

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     7_B     E     7_B     12   32  126      8   10   14   19   30   46   61  103  112  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     12   55  126      8   10   14   19   32   46   78  106  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     12   55  126      8   10   14   24   32   57  100  106  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     19   55  126      8   12   23   41   78   94  102  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     22   55  126      8   12   30   53   83   98  102  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     24   55  126      8   14   27   71   86   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     25   55  126      8   14   32   75   86   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     31   55  126     13   50   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     31   55  126     14   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     31   55  126     22   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     31   55  126     16   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     31   55  126     14   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     31   55  126     14   37   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     31   55  126     14   35   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     31   55  126     14   31   62   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     31   55  126     14   29   65   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     31   55  126     14   29   66   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     31   55  126     14   31   64   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     31   55  126     14   49   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     31   55  126      8   40   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     31   55  126     11   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     31   55  126     16   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     31   55  126      8   43   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     31   55  126      9   40   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     31   55  126     17   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     31   55  126     20   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     31   55  126     20   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     31   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     31   55  126     11   50   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B      6   55  126      3    5    7   32   50   69   89  102  111  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B      6   55  126      3    8   38   66   83   98  102  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     13   55  126     17   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     13   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     13   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     13   55  126     16   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     13   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     13   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     13   55  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     13   55  126     14   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     13   55  126     17   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     13   55  126      9   52   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     13   55  126     11   50   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     13   55  126      9   33   63   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     13   55  126      9   23   49   75   89   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     13   55  126      7   15   38   61   85   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     13   55  126      7   15   37   55   81   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     13   55  126      7   13   21   37   53   73   93  106  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     13   55  126      7   10   19   24   42   58   76   96  109  117  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B      4   55  126      3    4   10   14   50   67   93  103  111  116  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B      4   55  126      3    4    4    5   49   90  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B      4   54  126      3    8   31   48   78   92  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B      4    8  126      3    4    4   25   70   86  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B      6    8  126      3    9   11   30   39   83   92  103  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B      6    8  126      4   16   33   77   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B      6    8  126     17   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B      6    8  126      6   40   67   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B      6    8  126      6   40   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B      6    8  126     22   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B      3    8  126      1    4    6   18   56   90  101  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B      3    8  126      3    4    9   18   21   27   51   78  110  116  121  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B      6    8  126      3    5   18   33   65   90  100  107  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B      6    8  126      6   15   22   39   65   78   95  107  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B      6    8  126      3   18   37   51   76   95  102  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      6    9  126      3    4    6   18   31   61   93  103  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      6   12  126      3    5   15   43   55   85  101  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      6   13  126      3    5    6    9   16   42   55   93  107  115  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4   50  126      3   27   42   79   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     12   50  126      8   42   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     12   50  126      8   32   52   82   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     12   50  126     15   39   68   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     12   50  126     20   46   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     12   50  126     20   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     12   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     12   50  126     13   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     12   50  126     10   35   64   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     12   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     12   50  126     16   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     12   50  126     17   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     12   50  126     10   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     12   50  126      5   51   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     12   50  126      5   21   65   81   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B      9   50  126      4   11   30   63   88   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B      9   50  126      4    8   11   19   36   66   96  106  112  118  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B      9   50  126      4    8   10   24   43   65   87  100  109  117  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B      9   50  126      4   12   27   49   79   94  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B      9   50  126      3    8   15   29   66   92  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     27   50  126      5   43   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     29   50  126     23   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     29   50  126     17   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     29   50  126     20   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     29   50  126     20   46   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     29   50  126     15   42   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     29   50  126     12   32   65   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     29   50  126     13   50   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     29   50  126      4   27   56   74   90   94  101  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     29   50  126      3   39   63   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     29   50  126     13   39   59   82   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     29   50  126     13   32   59   82   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     29   50  126     20   50   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     29   50  126     20   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     29   50  126     22   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     29   50  126     25   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     29   50  126     17   53   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     29   50  126      6   38   63   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     29   50  126      6   19   62   79   90   96  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     29   50  126      2   49   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     29   50  126      4   42   70   83   90   98  103  108  113  119  122  125  125  125  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3   33  126      0    3    3    3    3   25   67   83   99  105  113  119  124  125  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  51.06  (  15.76   37.41  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     25     53     70     83     90     98    103    108    113    119    122    125    125    125    126    126    126    126    126    126 
GDT PERCENT_AT  19.84  42.06  55.56  65.87  71.43  77.78  81.75  85.71  89.68  94.44  96.83  99.21  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.65   0.89   1.09   1.24   1.57   1.72   1.92   2.14   2.50   2.62   2.77   2.77   2.77   2.86   2.86   2.86   2.86   2.86   2.86
GDT RMS_ALL_AT   3.19   3.19   3.13   3.10   3.09   2.97   3.01   2.93   2.90   2.87   2.87   2.86   2.86   2.86   2.86   2.86   2.86   2.86   2.86   2.86

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  Y    21_B      Y    21_B
#   possible swapping detected:  D    22_B      D    22_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    28_B      D    28_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    54_B      D    54_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    67_B      D    67_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  D    84_B      D    84_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  D   109_B      D   109_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     7.909     0    0.718   0.766     9.627    7.738   18.836
LGA    E     8_B      E     8_B     7.581     0    0.049   0.905    11.689   12.262    6.138
LGA    A     9_B      A     9_B     6.606     0    0.067   0.073     7.466   20.238   18.190
LGA    K    10_B      K    10_B     4.444     0    0.090   0.157     6.028   39.167   31.005
LGA    E    11_B      E    11_B     3.929     0    0.060   1.049     8.888   48.810   30.899
LGA    A    12_B      A    12_B     3.370     0    0.065   0.066     4.376   51.905   48.952
LGA    I    13_B      I    13_B     2.837     0    0.057   0.307     6.203   63.214   50.179
LGA    I    14_B      I    14_B     0.863     0    0.182   0.336     3.161   88.214   76.667
LGA    A    15_B      A    15_B     0.802     0    0.037   0.052     0.948   90.476   90.476
LGA    M    16_B      M    16_B     1.069     0    0.037   1.423     6.044   88.214   69.167
LGA    L    17_B      L    17_B     0.892     0    0.035   0.049     1.216   90.476   89.345
LGA    K    18_B      K    18_B     0.854     0    0.040   1.208     5.779   88.214   67.249
LGA    E    19_B      E    19_B     0.929     0    0.049   0.676     2.171   85.952   80.688
LGA    W    20_B      W    20_B     1.096     0    0.058   1.656     4.870   83.690   67.483
LGA    Y    21_B      Y    21_B     1.266     0    0.035   0.183     1.584   79.286   81.508
LGA    D    22_B      D    22_B     1.445     0    0.024   0.150     1.696   77.143   78.214
LGA    A    23_B      A    23_B     1.691     0    0.047   0.053     1.818   72.857   72.857
LGA    M    24_B      M    24_B     1.999     0    0.058   1.029     3.525   68.810   64.167
LGA    N    25_B      N    25_B     2.002     0    0.070   0.225     2.779   66.786   66.845
LGA    E    26_B      E    26_B     1.908     0    0.077   0.138     2.547   72.857   72.063
LGA    G    27_B      G    27_B     2.035     0    0.093   0.093     2.165   66.786   66.786
LGA    D    28_B      D    28_B     1.441     0    0.083   0.186     1.647   79.286   78.214
LGA    M    29_B      M    29_B     1.514     0    0.106   1.008     3.909   79.286   70.417
LGA    E    30_B      E    30_B     1.043     0    0.059   0.811     2.344   81.429   80.635
LGA    K    31_B      K    31_B     0.994     0    0.058   0.776     2.515   85.952   80.899
LGA    L    32_B      L    32_B     1.379     0    0.053   0.149     1.720   81.429   80.357
LGA    R    33_B      R    33_B     1.435     0    0.038   1.228     3.694   81.429   75.844
LGA    S    34_B      S    34_B     0.776     0    0.178   0.771     2.588   85.952   81.905
LGA    L    35_B      L    35_B     0.409     0    0.184   0.190     0.723   95.238   94.048
LGA    V    36_B      V    36_B     1.000     0    0.019   0.036     1.139   88.214   85.306
LGA    D    37_B      D    37_B     1.107     0    0.015   1.044     4.244   81.429   72.738
LGA    P    38_B      P    38_B     0.932     0    0.041   0.091     1.091   88.214   89.184
LGA    D    39_B      D    39_B     0.649     0    0.103   0.856     4.290   88.214   70.952
LGA    A    40_B      A    40_B     1.006     0    0.108   0.127     1.169   83.690   83.238
LGA    S    41_B      S    41_B     0.660     0    0.201   0.254     0.961   90.476   90.476
LGA    F    42_B      F    42_B     0.642     0    0.133   0.160     1.146   88.214   88.009
LGA    V    43_B      V    43_B     0.981     0    0.064   0.180     2.412   92.857   83.129
LGA    D    44_B      D    44_B     1.470     0    0.208   0.431     3.467   69.762   70.655
LGA    A    45_B      A    45_B     5.876     0    0.035   0.039     7.630   25.476   21.810
LGA    R    46_B      R    46_B     3.768     0    0.513   1.449    13.826   47.143   23.160
LGA    T    47_B      T    47_B     1.035     0    0.543   1.033     5.328   81.548   61.973
LGA    N    48_B      N    48_B     0.773     0    0.145   0.927     2.518   83.810   80.774
LGA    Q    49_B      Q    49_B     1.178     0    0.045   0.885     3.411   85.952   78.042
LGA    V    50_B      V    50_B     1.286     0    0.048   0.078     1.671   81.429   78.980
LGA    Y    51_B      Y    51_B     0.921     0    0.027   0.181     1.461   85.952   85.198
LGA    D    52_B      D    52_B     1.094     0    0.100   0.221     1.298   85.952   84.821
LGA    K    53_B      K    53_B     0.492     0    0.062   1.013     4.341   97.619   82.011
LGA    D    54_B      D    54_B     0.318     0    0.054   0.231     1.458  100.000   95.298
LGA    Q    55_B      Q    55_B     0.765     0    0.036   0.244     2.234   88.333   82.698
LGA    F    56_B      F    56_B     1.108     0    0.022   0.189     1.495   83.690   82.251
LGA    L    57_B      L    57_B     0.979     0    0.059   0.136     1.896   81.667   88.452
LGA    Q    58_B      Q    58_B     1.878     0    0.069   0.191     2.703   69.048   67.619
LGA    M    59_B      M    59_B     2.692     0    0.084   0.744     4.654   53.810   47.262
LGA    I    60_B      I    60_B     3.220     0    0.041   0.187     4.109   46.905   53.929
LGA    K    61_B      K    61_B     3.784     0    0.077   0.342     6.440   37.738   33.016
LGA    E    62_B      E    62_B     5.450     0    0.111   0.204     6.617   22.024   26.667
LGA    A    63_B      A    63_B     6.606     0    0.309   0.304     9.114   19.405   15.810
LGA    L    64_B      L    64_B     5.594     0    0.056   0.097    11.573   29.048   15.952
LGA    E    65_B      E    65_B     3.714     0    0.605   1.193    10.239   42.500   23.122
LGA    Q    66_B      Q    66_B     3.795     0    0.576   1.231     9.483   48.452   28.254
LGA    D    67_B      D    67_B     4.007     0    0.418   1.180     8.624   41.905   24.762
LGA    L    68_B      L    68_B     4.948     0    0.564   1.405     9.667   34.286   19.702
LGA    K    69_B      K    69_B     2.807     0    0.061   0.779    10.703   65.357   38.783
LGA    V    70_B      V    70_B     1.266     0    0.047   1.135     2.999   77.143   74.422
LGA    E    71_B      E    71_B     2.109     0    0.145   0.651     2.932   70.833   69.418
LGA    V    72_B      V    72_B     1.999     0    0.172   1.134     3.736   59.524   59.864
LGA    K    73_B      K    73_B     0.745     0    0.620   0.973     3.270   75.476   68.042
LGA    S    74_B      S    74_B     4.507     0    0.294   0.952     6.640   29.048   31.825
LGA    I    75_B      I    75_B     6.958     0    0.615   0.631    12.884   20.833   10.952
LGA    D    76_B      D    76_B     5.255     0    0.074   0.716     6.324   21.548   24.583
LGA    I    77_B      I    77_B     5.650     0    0.130   0.171     7.699   25.119   19.405
LGA    E    78_B      E    78_B     4.298     0    0.100   0.520     6.729   31.548   30.159
LGA    Q    79_B      Q    79_B     5.500     0    0.047   0.646    11.701   27.738   14.762
LGA    Q    80_B      Q    80_B     4.681     0    0.175   1.073     6.435   28.810   33.439
LGA    P    81_B      P    81_B     6.697     0    0.770   0.668    10.181   19.762   12.381
LGA    D    82_B      D    82_B     3.068     0    0.134   0.296     4.449   56.190   58.571
LGA    G    83_B      G    83_B     1.842     0    0.457   0.457     1.842   77.143   77.143
LGA    D    84_B      D    84_B     2.759     0    0.114   1.108     4.362   59.048   52.083
LGA    V    85_B      V    85_B     1.652     0    0.059   0.108     2.234   77.143   74.150
LGA    V    86_B      V    86_B     0.925     0    0.053   0.124     1.504   90.476   86.667
LGA    I    87_B      I    87_B     0.644     0    0.096   0.637     1.726   90.476   86.012
LGA    V    88_B      V    88_B     0.712     0    0.105   0.165     1.490   85.952   86.599
LGA    K    89_B      K    89_B     1.363     0    0.075   0.408     2.597   77.143   72.116
LGA    V    90_B      V    90_B     1.907     0    0.137   0.986     3.581   72.857   67.483
LGA    K    91_B      K    91_B     0.910     0    0.058   0.235     1.570   85.952   83.492
LGA    V    92_B      V    92_B     0.951     0    0.107   0.227     1.201   90.476   86.599
LGA    R    93_B      R    93_B     1.150     0    0.110   1.034     7.282   81.429   49.784
LGA    A    94_B      A    94_B     1.129     0    0.040   0.042     1.335   81.429   83.238
LGA    T    95_B      T    95_B     1.782     0    0.231   1.118     3.344   66.905   66.259
LGA    M    96_B      M    96_B     2.450     0    0.142   0.659     4.338   64.762   55.000
LGA    V    97_B      V    97_B     2.946     0    0.132   0.208     4.162   50.595   55.714
LGA    R    98_B      R    98_B     5.347     0    0.332   1.597    13.286   26.548   13.939
LGA    Q   101_B      Q   101_B     6.455     0    0.281   0.602    11.562   23.452   11.693
LGA    E   102_B      E   102_B     4.174     0    0.081   0.499     5.594   30.476   33.598
LGA    H   103_B      H   103_B     4.055     0    0.239   0.237     7.459   48.571   30.524
LGA    V   104_B      V   104_B     1.384     0    0.214   0.303     2.888   79.524   74.422
LGA    F   105_B      F   105_B     1.186     0    0.071   1.125     5.648   85.952   61.299
LGA    E   106_B      E   106_B     1.021     0    0.056   1.096     4.782   83.690   65.820
LGA    V   107_B      V   107_B     0.921     0    0.101   1.022     2.431   88.214   80.544
LGA    V   108_B      V   108_B     1.010     0    0.049   0.084     1.188   88.214   85.306
LGA    D   109_B      D   109_B     0.928     0    0.058   0.262     2.018   85.952   82.738
LGA    T   110_B      T   110_B     0.722     0    0.065   1.116     3.265   90.476   81.020
LGA    Y   111_B      Y   111_B     0.550     0    0.089   0.155     2.644   90.476   78.968
LGA    E   112_B      E   112_B     0.505     0    0.086   0.278     1.067   92.857   91.587
LGA    F   113_B      F   113_B     1.049     0    0.034   0.297     2.557   83.690   77.836
LGA    R   114_B      R   114_B     1.261     0    0.057   0.969     2.753   79.286   76.926
LGA    R   115_B      R   115_B     1.967     0    0.105   0.827     6.542   70.833   46.364
LGA    K   116_B      K   116_B     0.611     0    0.359   0.868     1.436   83.690   85.503
LGA    G   117_B      G   117_B     3.277     0    0.631   0.631     5.980   44.881   44.881
LGA    D   118_B      D   118_B     2.077     0    0.249   0.776     3.441   61.190   68.631
LGA    S   119_B      S   119_B     2.365     0    0.120   0.167     2.503   64.762   63.492
LGA    W   120_B      W   120_B     2.129     0    0.107   0.223     2.784   66.786   59.898
LGA    K   121_B      K   121_B     1.098     0    0.041   0.761     3.451   83.690   78.995
LGA    I   122_B      I   122_B     0.823     0    0.062   1.041     3.291   90.476   78.036
LGA    V   123_B      V   123_B     0.574     0    0.083   0.090     0.682   90.476   93.197
LGA    K   124_B      K   124_B     0.288     0    0.048   0.751     3.396  100.000   87.831
LGA    L   125_B      L   125_B     0.859     0    0.125   0.757     3.198   90.476   82.083
LGA    V   126_B      V   126_B     0.794     0    0.036   0.077     1.238   90.476   86.599
LGA    S   127_B      S   127_B     0.263     0    0.053   0.106     0.815   97.619   96.825
LGA    E   128_B      E   128_B     0.539     0    0.126   0.991     2.447   90.595   79.894
LGA    I   129_B      I   129_B     1.125     0    0.085   1.087     5.099   77.381   61.964
LGA    T   130_B      T   130_B     2.080     0    0.094   1.065     3.585   68.810   62.925
LGA    Q   131_B      Q   131_B     2.714     0    0.097   1.148     6.684   53.571   44.709
LGA    L   132_B      L   132_B     1.991     0    0.177   0.162     3.276   72.976   66.071
LGA    G   133_B      G   133_B     1.165     0    0.417   0.417     4.851   61.667   61.667
LGA    S   134_B      S   134_B     8.147     0    0.280   0.659    10.938    6.905    5.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     2.856          2.857                  3.645           68.121   62.345

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    108    1.92    73.413    68.093     5.355

LGA_LOCAL      RMSD:   1.917  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.930  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.856  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.337737 * X  +  -0.837867 * Y  +  -0.428849 * Z  +  56.741856
  Y_new =  -0.741609 * X  +   0.517449 * Y  +  -0.426921 * Z  +  57.437351
  Z_new =   0.579611 * X  +   0.173851 * Y  +  -0.796132 * Z  +  18.133249 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.998141 -0.618252  2.926598   [DEG: -114.4851  -35.4232  167.6817 ]
ZXZ: -0.787651  2.491673  1.279390   [DEG:  -45.1291  142.7623   73.3037 ]
 
# END of job
