
#######################################################
#                                                     #
#                        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       2.79     2.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57       7_B - 63_B        1.89     3.82
  LONGEST_CONTINUOUS_SEGMENT:    57       8_B - 64_B        1.94     3.70
  LONGEST_CONTINUOUS_SEGMENT:    57       9_B - 65_B        2.00     3.51
  LCS_AVERAGE:     39.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      13_B - 43_B        0.97     2.99
  LONGEST_CONTINUOUS_SEGMENT:    31      14_B - 44_B        0.95     3.02
  LCS_AVERAGE:     15.45

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     15   57  126      7   11   16   31   39   62   89  106  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     23   57  126      9   13   25   35   45   86   99  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     24   57  126      9   16   25   37   61   90  100  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     26   57  126      9   20   36   66   83   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     26   57  126      9   21   36   66   85   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     26   57  126     11   21   36   75   88   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     31   57  126      9   22   59   78   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     31   57  126     10   40   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     31   57  126     17   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     31   57  126     10   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     31   57  126     11   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     31   57  126     11   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     31   57  126     11   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     31   57  126     11   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     31   57  126     11   44   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     31   57  126     11   36   66   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     31   57  126     11   32   60   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     31   57  126     11   43   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     31   57  126     11   36   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     31   57  126     10   46   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     31   57  126      7   37   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     31   57  126     13   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     31   57  126      7   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     31   57  126      9   43   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     31   57  126     15   40   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     31   57  126     16   45   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     31   57  126     16   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     31   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     31   57  126     10   43   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     31   57  126      5   30   64   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     18   57  126      3   17   39   49   71   89   99  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B      8   57  126      3    6   13   17   40   70   82   98  109  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     11   57  126      9   33   63   77   88   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     11   57  126      6   25   55   73   86   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     11   57  126     11   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     14   57  126      9   39   66   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     14   57  126      6   36   65   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     14   57  126     11   39   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     14   57  126     21   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     14   57  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     14   57  126     15   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     14   57  126      8   41   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     14   57  126      8   37   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     14   57  126      8   29   63   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     14   57  126      8   17   41   75   88   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     14   57  126      8   17   39   51   85   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     14   57  126      8   17   39   49   75   92  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     14   57  126      8   15   25   44   57   81   94  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     14   57  126      8   15   21   31   54   70   85   98  108  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B      4   57  126      3    3   21   41   53   78   93  103  110  116  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B      4   57  126      3    3    6    9   46   84   99  105  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B      4   56  126      3    6   14   40   76   93   99  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B      4    9  126      3    4    5    9   20   55   96  104  113  117  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B      5    9  126      3    7   12   15   67   74   98  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B      5    9  126      3   18   57   74   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B      5    9  126     15   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B      5    9  126     15   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B      5    9  126      8   43   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B      5    9  126      3   18   59   76   89   96  100  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B      3    9  126      3   10   14   23   54   86  100  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B      3    9  126      3    3    6    8    9   17   29   44   93  108  115  124  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B      6    8  126      3    8   16   52   69   89   99  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B      6    8  126      4   17   29   41   60   72   91  105  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B      6    8  126      3   15   33   47   60   91  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B      6   49  126      3    4    6   13   20   58   84  102  111  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B      6   49  126      3    5    7   34   53   86  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      6   49  126      3    5    5   13   17   29   43   74  104  116  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     10   51  126      3   31   54   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     14   51  126      9   36   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     14   51  126      6   33   57   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     14   51  126     13   38   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     14   51  126     16   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     14   51  126     17   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     14   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     14   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     14   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     14   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     14   51  126      5   43   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     14   51  126     11   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     14   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     14   51  126     15   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     14   51  126      3   20   65   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     12   51  126      4   14   38   71   86   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     11   51  126      4   10   14   23   45   75   97  104  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     11   51  126      4   10   21   31   70   84   98  106  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     15   51  126      4   28   55   78   88   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     26   51  126      4   29   66   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     26   51  126     14   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     26   51  126     17   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     26   51  126     11   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     26   51  126      9   42   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     26   51  126     16   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     26   51  126     16   42   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     26   51  126      9   33   66   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     26   51  126     16   41   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     26   51  126     11   38   58   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     26   51  126     11   38   58   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     26   51  126      7   28   52   77   88   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     26   51  126      3   31   57   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     26   51  126     16   41   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     26   51  126     17   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     26   51  126     22   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     26   51  126     16   47   67   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     26   51  126      8   36   52   80   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B      5   51  126      3    4   13   19   67   87   95   99  109  115  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B      5   51  126      3    7   20   47   68   87   92   99  107  115  121  125  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      4   51  126      3    4   33   79   89   96  101  107  113  118  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      4   51  126      3   29   50   68   85   91   98  103  111  116  122  125  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3   51  126      3    3   49   68   76   88   96  103  109  116  122  125  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  51.65  (  15.45   39.51  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     22     47     67     80     89     96    101    107    113    118    122    125    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  17.46  37.30  53.17  63.49  70.63  76.19  80.16  84.92  89.68  93.65  96.83  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.65   0.90   1.15   1.33   1.51   1.76   1.99   2.28   2.46   2.62   2.73   2.79   2.79   2.79   2.79   2.79   2.79   2.79   2.79
GDT RMS_ALL_AT   3.05   3.00   2.93   2.93   2.90   2.88   2.82   2.81   2.80   2.82   2.80   2.79   2.79   2.79   2.79   2.79   2.79   2.79   2.79   2.79

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_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:  E    30_B      E    30_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    52_B      D    52_B
#   possible swapping detected:  D    54_B      D    54_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  D    84_B      D    84_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  D   109_B      D   109_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  D   118_B      D   118_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     6.543     0    0.307   0.454     6.888   18.571   18.783
LGA    E     8_B      E     8_B     5.799     0    0.041   1.022     8.267   24.048   18.995
LGA    A     9_B      A     9_B     4.866     0    0.045   0.047     5.308   34.524   32.857
LGA    K    10_B      K    10_B     3.457     0    0.068   0.813     7.587   48.571   34.127
LGA    E    11_B      E    11_B     3.251     0    0.019   1.238     7.970   53.810   35.291
LGA    A    12_B      A    12_B     2.713     0    0.066   0.062     3.479   61.190   58.952
LGA    I    13_B      I    13_B     2.001     0    0.059   0.365     5.022   73.095   62.262
LGA    I    14_B      I    14_B     0.603     0    0.129   0.284     2.771   92.976   84.167
LGA    A    15_B      A    15_B     0.243     0    0.093   0.103     0.874   95.238   94.286
LGA    M    16_B      M    16_B     1.175     0    0.076   1.237     3.593   83.690   75.655
LGA    L    17_B      L    17_B     0.988     0    0.019   0.109     1.122   85.952   84.821
LGA    K    18_B      K    18_B     1.103     0    0.032   0.755     2.506   83.690   76.931
LGA    E    19_B      E    19_B     1.010     0    0.037   0.687     1.525   81.429   82.487
LGA    W    20_B      W    20_B     1.215     0    0.059   0.173     1.452   81.429   82.721
LGA    Y    21_B      Y    21_B     1.415     0    0.012   0.078     1.582   79.286   77.857
LGA    D    22_B      D    22_B     1.341     0    0.043   0.149     2.173   81.429   77.202
LGA    A    23_B      A    23_B     1.196     0    0.028   0.031     1.459   81.429   81.429
LGA    M    24_B      M    24_B     1.930     0    0.038   0.636     2.531   68.810   66.845
LGA    N    25_B      N    25_B     2.199     0    0.068   0.192     3.075   62.857   61.964
LGA    E    26_B      E    26_B     1.551     0    0.167   0.159     1.874   72.857   80.635
LGA    G    27_B      G    27_B     1.805     0    0.098   0.098     2.281   70.833   70.833
LGA    D    28_B      D    28_B     1.546     0    0.080   0.225     1.787   72.857   72.857
LGA    M    29_B      M    29_B     1.646     0    0.146   0.886     6.108   77.143   57.381
LGA    E    30_B      E    30_B     1.174     0    0.063   0.946     4.240   81.429   73.968
LGA    K    31_B      K    31_B     1.100     0    0.035   0.778     2.169   81.429   79.630
LGA    L    32_B      L    32_B     1.340     0    0.066   0.102     1.506   79.286   81.488
LGA    R    33_B      R    33_B     1.348     0    0.072   1.418     8.664   81.429   54.372
LGA    S    34_B      S    34_B     0.985     0    0.193   0.774     2.702   81.548   78.968
LGA    L    35_B      L    35_B     0.882     0    0.185   0.185     1.466   88.214   88.214
LGA    V    36_B      V    36_B     1.274     0    0.109   0.104     1.739   85.952   81.565
LGA    D    37_B      D    37_B     1.110     0    0.075   0.910     3.038   83.690   78.690
LGA    P    38_B      P    38_B     1.350     0    0.672   0.631     3.512   73.571   67.891
LGA    D    39_B      D    39_B     1.277     0    0.126   0.562     3.878   83.810   75.774
LGA    A    40_B      A    40_B     0.979     0    0.103   0.108     1.190   88.214   86.857
LGA    S    41_B      S    41_B     0.638     0    0.171   0.663     2.423   90.476   87.778
LGA    F    42_B      F    42_B     0.590     0    0.100   0.511     2.034   90.476   85.714
LGA    V    43_B      V    43_B     1.112     0    0.091   0.170     2.745   81.548   74.422
LGA    D    44_B      D    44_B     1.737     0    0.219   0.792     4.652   72.976   62.024
LGA    A    45_B      A    45_B     4.520     0    0.071   0.066     5.728   32.262   30.095
LGA    R    46_B      R    46_B     5.872     0    0.616   1.376    15.866   25.119   11.039
LGA    T    47_B      T    47_B     2.511     0    0.578   0.532     4.064   48.690   55.782
LGA    N    48_B      N    48_B     2.737     0    0.140   1.119     5.256   59.167   49.167
LGA    Q    49_B      Q    49_B     1.184     0    0.158   0.863     6.396   79.286   57.513
LGA    V    50_B      V    50_B     1.711     0    0.046   0.057     3.120   66.905   61.701
LGA    Y    51_B      Y    51_B     1.802     0    0.051   0.264     3.302   72.857   66.429
LGA    D    52_B      D    52_B     1.592     0    0.069   1.250     4.264   79.405   69.643
LGA    K    53_B      K    53_B     0.869     0    0.040   1.117     9.661   90.595   58.942
LGA    D    54_B      D    54_B     1.100     0    0.039   0.164     3.000   88.333   76.607
LGA    Q    55_B      Q    55_B     0.916     0    0.107   0.250     2.913   85.952   77.037
LGA    F    56_B      F    56_B     1.260     0    0.047   0.208     2.086   79.286   75.281
LGA    L    57_B      L    57_B     1.251     0    0.037   0.083     1.952   79.405   79.345
LGA    Q    58_B      Q    58_B     1.730     0    0.037   0.241     2.649   69.048   73.175
LGA    M    59_B      M    59_B     2.729     0    0.056   0.753     4.769   53.810   46.548
LGA    I    60_B      I    60_B     3.228     0    0.043   0.269     4.186   46.905   52.976
LGA    K    61_B      K    61_B     3.835     0    0.044   0.340     5.675   40.476   35.820
LGA    E    62_B      E    62_B     4.958     0    0.124   0.248     5.766   29.048   32.275
LGA    A    63_B      A    63_B     5.843     0    0.433   0.408     8.293   25.119   21.048
LGA    L    64_B      L    64_B     5.342     0    0.069   0.124    11.095   33.214   18.690
LGA    E    65_B      E    65_B     3.878     0    0.594   0.962    11.117   45.714   24.286
LGA    Q    66_B      Q    66_B     3.863     0    0.414   1.212     9.593   48.452   28.148
LGA    D    67_B      D    67_B     4.775     0    0.481   1.505     9.464   40.476   22.381
LGA    L    68_B      L    68_B     4.436     0    0.549   1.397     9.052   40.238   23.810
LGA    K    69_B      K    69_B     2.783     0    0.080   0.324     7.931   65.000   42.804
LGA    V    70_B      V    70_B     1.554     0    0.111   1.103     3.483   70.833   68.503
LGA    E    71_B      E    71_B     1.747     0    0.141   0.531     4.190   81.548   66.667
LGA    V    72_B      V    72_B     1.728     0    0.326   1.090     3.293   66.905   67.415
LGA    K    73_B      K    73_B     2.936     0    0.551   1.280     4.757   64.881   49.577
LGA    S    74_B      S    74_B     4.140     0    0.279   0.905     6.195   32.619   33.333
LGA    I    75_B      I    75_B     7.297     0    0.615   0.620    13.755   18.690    9.524
LGA    D    76_B      D    76_B     4.585     0    0.066   0.697     6.459   25.238   28.750
LGA    I    77_B      I    77_B     5.487     0    0.233   1.105     8.157   27.500   19.940
LGA    E    78_B      E    78_B     4.340     0    0.062   0.653     5.061   32.976   35.450
LGA    Q    79_B      Q    79_B     5.388     0    0.084   0.721    12.246   30.238   14.868
LGA    Q    80_B      Q    80_B     4.490     0    0.125   1.374     5.606   32.857   38.519
LGA    P    81_B      P    81_B     6.443     0    0.771   0.681    10.403   25.714   15.170
LGA    D    82_B      D    82_B     2.491     0    0.073   0.223     3.883   59.524   60.357
LGA    G    83_B      G    83_B     2.353     0    0.474   0.474     2.353   72.976   72.976
LGA    D    84_B      D    84_B     2.495     0    0.177   1.122     5.676   66.905   48.988
LGA    V    85_B      V    85_B     1.452     0    0.095   1.131     4.305   79.286   73.946
LGA    V    86_B      V    86_B     0.935     0    0.070   0.117     1.227   88.214   87.891
LGA    I    87_B      I    87_B     0.722     0    0.089   0.634     1.756   90.476   88.333
LGA    V    88_B      V    88_B     0.742     0    0.036   0.202     1.423   85.952   86.599
LGA    K    89_B      K    89_B     1.138     0    0.058   0.400     1.529   81.429   82.487
LGA    V    90_B      V    90_B     1.154     0    0.043   0.064     1.312   81.429   81.429
LGA    K    91_B      K    91_B     0.804     0    0.078   0.746     4.681   81.548   68.730
LGA    V    92_B      V    92_B     1.505     0    0.109   1.078     3.775   75.000   69.864
LGA    R    93_B      R    93_B     1.512     0    0.073   0.943     7.327   77.143   52.554
LGA    A    94_B      A    94_B     1.173     0    0.074   0.082     1.191   81.429   81.429
LGA    T    95_B      T    95_B     1.451     0    0.134   1.098     3.309   77.143   73.265
LGA    M    96_B      M    96_B     2.188     0    0.208   0.878     5.313   66.786   56.369
LGA    V    97_B      V    97_B     3.005     0    0.046   0.089     3.932   48.452   53.265
LGA    R    98_B      R    98_B     4.986     0    0.096   1.311    12.983   29.048   15.974
LGA    Q   101_B      Q   101_B     4.870     0    0.202   1.043     6.804   34.881   28.148
LGA    E   102_B      E   102_B     2.588     0    0.096   0.591     4.341   61.190   59.312
LGA    H   103_B      H   103_B     1.588     0    0.052   1.086     4.326   81.667   61.619
LGA    V   104_B      V   104_B     0.547     0    0.048   0.156     1.102   95.238   93.265
LGA    F   105_B      F   105_B     0.361     0    0.040   0.348     2.456  100.000   85.368
LGA    E   106_B      E   106_B     0.417     0    0.161   1.068     5.489   95.238   71.429
LGA    V   107_B      V   107_B     0.723     0    0.098   1.027     2.508   90.476   81.905
LGA    V   108_B      V   108_B     0.754     0    0.052   0.105     1.171   90.476   89.184
LGA    D   109_B      D   109_B     0.949     0    0.134   0.286     1.579   83.810   86.012
LGA    T   110_B      T   110_B     0.733     0    0.071   0.072     0.916   90.476   90.476
LGA    Y   111_B      Y   111_B     0.574     0    0.114   1.111     5.080   88.214   69.325
LGA    E   112_B      E   112_B     0.808     0    0.083   0.158     0.976   90.476   90.476
LGA    F   113_B      F   113_B     0.494     0    0.062   0.245     1.005   92.857   92.251
LGA    R   114_B      R   114_B     0.764     0    0.106   1.126     7.466   90.476   55.844
LGA    R   115_B      R   115_B     1.466     0    0.087   0.869     3.749   81.429   66.277
LGA    K   116_B      K   116_B     0.813     0    0.232   0.990     4.969   83.690   72.011
LGA    G   117_B      G   117_B     2.548     0    0.068   0.068     2.548   62.857   62.857
LGA    D   118_B      D   118_B     2.522     0    0.113   0.938     5.582   57.262   47.321
LGA    S   119_B      S   119_B     3.180     0    0.110   0.127     3.489   59.167   57.302
LGA    W   120_B      W   120_B     2.026     0    0.170   1.166     4.825   69.048   53.367
LGA    K   121_B      K   121_B     0.750     0    0.098   1.085     4.347   92.857   78.148
LGA    I   122_B      I   122_B     0.892     0    0.075   1.145     3.494   90.476   77.143
LGA    V   123_B      V   123_B     0.713     0    0.230   1.091     3.558   90.476   82.449
LGA    K   124_B      K   124_B     0.599     0    0.046   0.193     0.605   90.476   93.651
LGA    L   125_B      L   125_B     0.601     0    0.157   0.235     0.883   90.476   91.667
LGA    V   126_B      V   126_B     0.620     0    0.080   0.133     0.940   90.476   90.476
LGA    S   127_B      S   127_B     0.958     0    0.147   0.628     3.006   81.548   76.270
LGA    E   128_B      E   128_B     0.747     0    0.281   1.006     2.106   83.810   77.778
LGA    I   129_B      I   129_B     2.767     0    0.068   0.161     4.817   51.190   45.119
LGA    T   130_B      T   130_B     5.203     0    0.601   0.573     6.578   26.071   24.150
LGA    Q   131_B      Q   131_B     5.692     0    0.065   0.790    12.470   32.024   15.291
LGA    L   132_B      L   132_B     2.872     0    0.048   0.164     9.080   53.690   34.583
LGA    G   133_B      G   133_B     4.837     0    0.274   0.274     6.345   27.976   27.976
LGA    S   134_B      S   134_B     5.518     0    0.261   0.646     8.875   15.119   22.460

# 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):     2.793          2.772                  3.723           67.642   61.034

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    107    1.99    71.429    67.625     5.123

LGA_LOCAL      RMSD:   1.989  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.810  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.793  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.426994 * X  +  -0.873198 * Y  +  -0.234948 * Z  +  34.182529
  Y_new =   0.021584 * X  +   0.249909 * Y  +  -0.968029 * Z  +  15.676329
  Z_new =   0.903997 * X  +  -0.418414 * Y  +  -0.087863 * Z  +  -3.393520 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.091087 -1.129027 -1.777779   [DEG:  177.1062  -64.6885 -101.8592 ]
ZXZ: -0.238103  1.658772  2.004284   [DEG:  -13.6423   95.0407  114.8370 ]
 
# END of job
