
#######################################################
#                                                     #
#                        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  123 (  932),  selected  122 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  122 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122       8_A - 129_A       4.09     4.09
  LCS_AVERAGE:     97.60

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45       8_A - 52_A        1.98     5.72
  LCS_AVERAGE:     30.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      96_A - 128_A       0.98     8.54
  LONGEST_CONTINUOUS_SEGMENT:    33      97_A - 129_A       0.92     8.60
  LCS_AVERAGE:     16.68

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  122
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     T     8_A     T     8_A      9   45  122      5   10   14   19   37   49   56   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     F     9_A     F     9_A     22   45  122      5   11   21   32   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     S    10_A     S    10_A     22   45  122      5   11   23   32   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    11_A     A    11_A     22   45  122     13   19   26   32   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     P    12_A     P    12_A     22   45  122      8   19   26   32   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     S    13_A     S    13_A     22   45  122      8   19   26   32   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     H    14_A     H    14_A     22   45  122     14   19   26   32   40   50   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     S    15_A     S    15_A     22   45  122     14   19   26   31   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     T    16_A     T    16_A     22   45  122     13   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     S    17_A     S    17_A     22   45  122     14   19   26   32   40   51   60   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    18_A     L    18_A     22   45  122     14   19   26   32   40   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    19_A     L    19_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     Q    20_A     Q    20_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     G    21_A     G    21_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    22_A     L    22_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    23_A     A    23_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     T    24_A     T    24_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    25_A     L    25_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     R    26_A     R    26_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    27_A     A    27_A     22   45  122     14   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     Q    28_A     Q    28_A     22   45  122     14   19   26   32   41   51   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     G    29_A     G    29_A     22   45  122      5   19   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     Q    30_A     Q    30_A     22   45  122      5   13   20   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    31_A     L    31_A     22   45  122      7   18   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    32_A     L    32_A     22   45  122      4   15   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     D    33_A     D    33_A     11   45  122      4   15   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V    34_A     V    34_A     11   45  122      4   15   26   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V    35_A     V    35_A     11   45  122      3   11   26   32   39   51   61   71   78   97  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    36_A     L    36_A     11   45  122      3   11   24   32   39   47   59   69   78   94  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     T    37_A     T    37_A     11   45  122      3   15   26   32   40   51   59   71   78   92  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     I    38_A     I    38_A     11   45  122      4   15   26   32   39   51   61   71   79   98  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     N    39_A     N    39_A      9   45  122      4    9   25   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     R    40_A     R    40_A     13   45  122      4   11   25   32   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     E    41_A     E    41_A     14   45  122      4   14   26   32   41   51   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    42_A     A    42_A     14   45  122      7   18   26   32   41   51   61   71   83  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     F    43_A     F    43_A     14   45  122      7   14   18   31   41   51   59   70   78   88  105  115  119  122  122  122  122  122  122  122 
LCS_GDT     P    44_A     P    44_A     14   45  122      6   14   18   31   41   51   61   71   79  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    45_A     A    45_A     14   45  122      6   14   22   31   41   51   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     H    46_A     H    46_A     14   45  122      7   14   22   31   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     K    47_A     K    47_A     14   45  122      7   14   20   31   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V    48_A     V    48_A     14   45  122      7   14   20   30   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V    49_A     V    49_A     14   45  122      7   14   20   30   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    50_A     L    50_A     14   45  122      6   14   20   30   41   51   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    51_A     A    51_A     14   45  122      6   14   20   30   41   51   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    52_A     A    52_A     14   45  122      6   14   20   27   41   51   61   72   84  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     C    53_A     C    53_A     14   43  122      4   11   18   26   34   45   58   67   76   83   93  105  116  122  122  122  122  122  122  122 
LCS_GDT     S    54_A     S    54_A     14   36  122      7   14   20   27   41   51   59   70   78   87  101  115  119  122  122  122  122  122  122  122 
LCS_GDT     D    55_A     D    55_A     14   36  122      4    9   20   27   35   47   58   69   76   83   95  112  118  122  122  122  122  122  122  122 
LCS_GDT     Y    56_A     Y    56_A     13   36  122      5   11   19   26   38   51   61   72   84  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     F    57_A     F    57_A     13   36  122      5   11   18   27   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     R    58_A     R    58_A     13   36  122      5   12   20   27   41   51   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    59_A     A    59_A     13   36  122      5   11   19   27   39   51   61   72   83  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     M    60_A     M    60_A     13   36  122      5   11   18   21   29   49   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     F    61_A     F    61_A     13   36  122      5   11   13   24   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     T    62_A     T    62_A     13   36  122      7   14   20   27   41   51   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     G    63_A     G    63_A     13   36  122      5   12   20   27   41   51   61   72   84  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     G    64_A     G    64_A     11   35  122      3    8   11   18   29   40   55   68   77   89  108  115  119  122  122  122  122  122  122  122 
LCS_GDT     M    65_A     M    65_A     11   35  122      3    9   14   22   32   46   61   72   84  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     R    66_A     R    66_A     11   35  122      4    9   14   22   32   46   61   72   84  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     E    67_A     E    67_A     13   35  122      6   12   18   29   38   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    68_A     A    68_A     13   35  122      6   12   20   29   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     S    69_A     S    69_A     13   35  122      6   12   20   29   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     Q    70_A     Q    70_A     13   35  122      6   12   18   29   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     D    71_A     D    71_A     13   35  122      6   11   15   26   34   45   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V    72_A     V    72_A     13   35  122      4   11   19   26   34   42   61   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     I    73_A     I    73_A     13   35  122      4   12   19   29   38   49   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     E    74_A     E    74_A     13   35  122      3   11   18   26   34   42   59   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    75_A     L    75_A     13   35  122      4   12   19   29   34   48   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     K    76_A     K    76_A     13   35  122      4   11   19   29   34   48   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     G    77_A     G    77_A     13   35  122      5   11   19   29   37   48   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V    78_A     V    78_A     17   35  122      4   12   19   29   40   49   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     S    79_A     S    79_A     17   35  122      6   12   19   29   40   49   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    80_A     A    80_A     17   35  122      9   15   21   34   40   49   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     R    81_A     R    81_A     17   24  122      8   16   20   32   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     G    82_A     G    82_A     17   24  122      9   15   18   29   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    83_A     L    83_A     17   24  122      9   15   18   29   40   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     R    84_A     R    84_A     17   24  122      8   15   17   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     H    85_A     H    85_A     17   24  122      9   15   25   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     I    86_A     I    86_A     17   24  122      9   15   18   29   40   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     I    87_A     I    87_A     17   24  122      9   15   20   24   37   49   60   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     D    88_A     D    88_A     17   23  122      9   15   16   22   37   49   56   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     F    89_A     F    89_A     17   23  122      9   15   16   24   38   49   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    90_A     A    90_A     17   23  122      9   18   20   24   40   51   61   72   84  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     Y    91_A     Y    91_A     17   23  122      5   15   16   21   27   39   48   64   76   92  108  115  119  122  122  122  122  122  122  122 
LCS_GDT     S    92_A     S    92_A     17   23  122      6   15   16   21   29   39   52   72   84  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A    93_A     A    93_A     17   23  122      5   18   21   30   41   51   61   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     E    94_A     E    94_A     17   36  122      5   15   17   28   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V    95_A     V    95_A     17   36  122      4    8   12   29   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     T    96_A     T    96_A     33   36  122      8   15   26   34   37   39   44   59   74   92  104  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    97_A     L    97_A     33   36  122      8   24   32   35   40   49   59   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     D    98_A     D    98_A     33   36  122      8   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L    99_A     L    99_A     33   36  122      8   12   31   35   37   46   56   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     D   100_A     D   100_A     33   36  122      8   24   32   35   37   49   58   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     C   101_A     C   101_A     33   36  122      8   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V   102_A     V   102_A     33   36  122      8   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     Q   103_A     Q   103_A     33   36  122      8   24   32   35   37   46   56   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     D   104_A     D   104_A     33   36  122      8   24   32   35   37   49   56   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V   105_A     V   105_A     33   36  122      8   24   32   35   37   49   58   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L   106_A     L   106_A     33   36  122      8   24   32   35   37   43   55   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     G   107_A     G   107_A     33   36  122      8   24   32   35   37   43   55   64   83  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A   108_A     A   108_A     33   36  122      8   24   32   35   37   43   55   64   82  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A   109_A     A   109_A     33   36  122      8   24   32   35   37   39   55   64   82  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V   110_A     V   110_A     33   36  122      8   24   32   35   37   39   44   58   74   90  104  115  119  122  122  122  122  122  122  122 
LCS_GDT     F   111_A     F   111_A     33   36  122      4   19   32   35   37   43   55   63   79   92  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L   112_A     L   112_A     33   36  122      4   24   32   35   37   43   55   64   82   98  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     Q   113_A     Q   113_A     33   36  122     14   24   32   35   37   39   43   54   71   90  104  115  119  122  122  122  122  122  122  122 
LCS_GDT     M   114_A     M   114_A     33   36  122     14   18   32   35   37   39   43   54   74   92  104  115  119  122  122  122  122  122  122  122 
LCS_GDT     L   115_A     L   115_A     33   36  122     14   20   32   35   37   39   43   54   74   92  104  115  119  122  122  122  122  122  122  122 
LCS_GDT     P   116_A     P   116_A     33   36  122     14   24   32   35   37   39   43   59   79   92  104  115  119  122  122  122  122  122  122  122 
LCS_GDT     V   117_A     V   117_A     33   36  122     14   24   32   35   37   39   55   71   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     V   118_A     V   118_A     33   36  122     14   24   32   35   37   43   55   71   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     E   119_A     E   119_A     33   36  122     14   24   32   35   37   43   55   71   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L   120_A     L   120_A     33   36  122     14   24   32   35   37   43   55   71   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     C   121_A     C   121_A     33   36  122     14   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     E   122_A     E   122_A     33   36  122     14   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     E   123_A     E   123_A     33   36  122     14   24   32   35   40   49   59   72   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     F   124_A     F   124_A     33   36  122     14   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     L   125_A     L   125_A     33   36  122     14   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     K   126_A     K   126_A     33   36  122     14   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A   127_A     A   127_A     33   36  122     14   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     A   128_A     A   128_A     33   36  122     14   24   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_GDT     M   129_A     M   129_A     33   36  122      3    7   32   35   40   49   59   73   85  102  110  115  119  122  122  122  122  122  122  122 
LCS_AVERAGE  LCS_A:  48.20  (  16.68   30.33   97.60 )

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     14     24     32     35     41     51     61     73     85    102    110    115    119    122    122    122    122    122    122    122 
GDT PERCENT_AT  11.20  19.20  25.60  28.00  32.80  40.80  48.80  58.40  68.00  81.60  88.00  92.00  95.20  97.60  97.60  97.60  97.60  97.60  97.60  97.60
GDT RMS_LOCAL    0.17   0.62   0.88   1.02   1.92   2.17   2.49   2.89   3.14   3.54   3.72   3.87   3.98   4.09   4.09   4.09   4.09   4.09   4.09   4.09
GDT RMS_ALL_AT   8.63   9.26   8.61   8.48   6.77   6.63   5.65   4.18   4.17   4.13   4.10   4.10   4.10   4.09   4.09   4.09   4.09   4.09   4.09   4.09

# Checking swapping
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     8_A      T     8_A     3.919     0    0.053   0.059     4.711   38.810   38.980
LGA    F     9_A      F     9_A     2.985     0    0.115   0.181     4.817   57.262   48.139
LGA    S    10_A      S    10_A     2.742     0    0.100   0.589     5.138   51.905   47.302
LGA    A    11_A      A    11_A     1.792     0    0.205   0.266     1.936   72.857   72.857
LGA    P    12_A      P    12_A     1.583     0    0.071   0.196     1.623   75.000   74.082
LGA    S    13_A      S    13_A     1.019     0    0.069   0.068     1.208   85.952   85.952
LGA    H    14_A      H    14_A     1.347     0    0.093   1.307     7.778   81.429   52.667
LGA    S    15_A      S    15_A     2.279     0    0.000   0.662     3.196   70.833   67.698
LGA    T    16_A      T    16_A     2.106     0    0.000   0.023     3.174   70.833   62.925
LGA    S    17_A      S    17_A     1.233     0    0.045   0.047     1.745   83.690   81.508
LGA    L    18_A      L    18_A     0.829     0    0.047   1.368     4.311   90.476   79.405
LGA    L    19_A      L    19_A     1.727     0    0.025   1.393     3.767   75.000   69.286
LGA    Q    20_A      Q    20_A     2.386     0    0.000   0.666     2.712   64.881   64.021
LGA    G    21_A      G    21_A     1.765     0    0.000   0.000     1.778   75.000   75.000
LGA    L    22_A      L    22_A     0.742     0    0.037   0.073     1.477   85.952   85.952
LGA    A    23_A      A    23_A     2.482     0    0.000   0.000     3.005   62.976   60.381
LGA    T    24_A      T    24_A     3.200     0    0.048   1.145     5.861   53.571   49.116
LGA    L    25_A      L    25_A     2.202     0    0.015   0.157     2.611   64.762   64.821
LGA    R    26_A      R    26_A     1.961     0    0.047   1.017     3.734   65.000   61.515
LGA    A    27_A      A    27_A     3.668     0    0.089   0.089     4.395   43.452   43.429
LGA    Q    28_A      Q    28_A     3.897     0    0.195   0.315     5.659   46.667   36.561
LGA    G    29_A      G    29_A     3.255     0    0.071   0.071     3.463   51.786   51.786
LGA    Q    30_A      Q    30_A     3.658     0    0.197   0.870     4.998   46.667   40.159
LGA    L    31_A      L    31_A     2.707     0    0.142   0.203     3.136   59.286   63.036
LGA    L    32_A      L    32_A     3.557     0    0.084   0.169     4.360   45.000   41.071
LGA    D    33_A      D    33_A     3.572     0    0.130   0.926     5.888   43.333   37.202
LGA    V    34_A      V    34_A     3.785     0    0.093   0.988     5.275   41.786   40.068
LGA    V    35_A      V    35_A     5.325     0    0.016   0.033     6.631   27.500   23.741
LGA    L    36_A      L    36_A     5.701     0    0.063   1.410     8.027   22.619   23.274
LGA    T    37_A      T    37_A     6.007     0    0.096   1.117     7.468   16.190   17.619
LGA    I    38_A      I    38_A     5.736     0    0.060   0.089     7.081   23.810   19.107
LGA    N    39_A      N    39_A     4.101     0    0.076   0.093     5.124   38.810   37.381
LGA    R    40_A      R    40_A     3.948     0    0.079   1.084     6.888   40.238   36.667
LGA    E    41_A      E    41_A     4.526     0    0.000   0.151     5.215   31.548   33.386
LGA    A    42_A      A    42_A     5.232     0    0.045   0.046     6.068   24.048   24.476
LGA    F    43_A      F    43_A     6.150     0    0.261   1.172     8.085   19.286   15.628
LGA    P    44_A      P    44_A     5.122     0    0.096   0.115     5.644   25.000   24.150
LGA    A    45_A      A    45_A     4.208     0    0.032   0.072     4.636   45.357   42.571
LGA    H    46_A      H    46_A     3.021     0    0.052   1.187     4.888   50.000   51.333
LGA    K    47_A      K    47_A     2.871     0    0.034   1.215     5.037   55.357   53.862
LGA    V    48_A      V    48_A     2.963     0    0.064   0.947     3.846   51.905   55.238
LGA    V    49_A      V    49_A     4.028     0    0.032   0.052     5.078   34.524   35.714
LGA    L    50_A      L    50_A     4.836     0    0.022   0.134     5.568   30.357   29.643
LGA    A    51_A      A    51_A     4.676     0    0.072   0.072     6.019   27.976   29.810
LGA    A    52_A      A    52_A     5.540     0    0.077   0.082     6.877   20.833   21.905
LGA    C    53_A      C    53_A     7.671     0    0.246   0.782     7.827    9.405    9.127
LGA    S    54_A      S    54_A     6.897     0    0.211   0.377     7.064   10.833   14.365
LGA    D    55_A      D    55_A     7.895     0    0.143   0.201    11.607   10.119    5.238
LGA    Y    56_A      Y    56_A     5.159     0    0.183   0.182     5.987   27.619   34.762
LGA    F    57_A      F    57_A     3.804     0    0.047   0.918     4.259   41.786   45.368
LGA    R    58_A      R    58_A     4.484     0    0.046   0.992     8.181   34.286   26.494
LGA    A    59_A      A    59_A     5.560     0    0.115   0.133     6.291   23.810   22.476
LGA    M    60_A      M    60_A     4.778     0    0.094   1.010     6.041   32.857   30.417
LGA    F    61_A      F    61_A     4.202     0    0.067   0.152     5.451   37.143   31.602
LGA    T    62_A      T    62_A     4.884     0    0.213   1.084     6.813   25.595   25.782
LGA    G    63_A      G    63_A     5.478     0    0.681   0.681     6.684   23.095   23.095
LGA    G    64_A      G    64_A     6.981     0    0.000   0.000     7.544   12.738   12.738
LGA    M    65_A      M    65_A     5.288     0    0.129   0.629     5.288   27.500   35.357
LGA    R    66_A      R    66_A     5.398     0    0.000   1.384    13.379   31.667   13.593
LGA    E    67_A      E    67_A     3.066     0    0.042   0.822     4.052   57.738   54.497
LGA    A    68_A      A    68_A     2.378     0    0.084   0.096     3.439   60.952   58.762
LGA    S    69_A      S    69_A     3.506     0    0.188   0.195     5.522   43.452   37.778
LGA    Q    70_A      Q    70_A     3.440     0    0.084   0.129     6.098   57.262   42.063
LGA    D    71_A      D    71_A     3.631     0    0.132   0.204     4.820   43.333   41.131
LGA    V    72_A      V    72_A     4.149     0    0.062   0.105     5.319   40.238   34.966
LGA    I    73_A      I    73_A     3.192     0    0.025   0.057     3.436   50.000   58.393
LGA    E    74_A      E    74_A     4.295     0    0.000   0.931     8.973   43.571   26.667
LGA    L    75_A      L    75_A     2.044     0    0.178   0.932     3.871   62.976   65.298
LGA    K    76_A      K    76_A     2.072     0    0.000   0.620     6.300   68.810   54.021
LGA    G    77_A      G    77_A     1.408     0    0.084   0.084     1.582   77.143   77.143
LGA    V    78_A      V    78_A     1.186     0    0.103   0.125     1.862   83.690   81.497
LGA    S    79_A      S    79_A     1.750     0    0.178   0.537     2.442   79.286   75.794
LGA    A    80_A      A    80_A     1.215     0    0.100   0.113     1.544   79.286   78.000
LGA    R    81_A      R    81_A     1.507     0    0.018   0.686     4.895   81.548   60.043
LGA    G    82_A      G    82_A     1.203     0    0.043   0.043     1.203   83.690   83.690
LGA    L    83_A      L    83_A     2.212     0    0.000   1.421     5.265   67.024   62.202
LGA    R    84_A      R    84_A     2.625     0    0.053   0.832     3.980   57.262   54.719
LGA    H    85_A      H    85_A     1.804     0    0.051   0.493     3.840   70.833   63.762
LGA    I    86_A      I    86_A     2.469     0    0.032   0.688     4.427   57.738   52.440
LGA    I    87_A      I    87_A     4.846     0    0.040   0.064     6.691   31.905   26.250
LGA    D    88_A      D    88_A     4.743     0    0.028   0.132     5.865   34.286   30.298
LGA    F    89_A      F    89_A     3.339     0    0.027   1.209     7.735   41.905   31.645
LGA    A    90_A      A    90_A     5.354     0    0.037   0.033     6.652   22.024   21.905
LGA    Y    91_A      Y    91_A     6.847     0    0.219   1.389    16.058   16.190    6.349
LGA    S    92_A      S    92_A     5.933     0    0.023   0.049     6.296   24.048   24.841
LGA    A    93_A      A    93_A     4.091     0    0.129   0.124     4.696   42.143   40.000
LGA    E    94_A      E    94_A     1.848     0    0.000   0.085     4.264   68.810   57.037
LGA    V    95_A      V    95_A     3.131     0    0.214   1.029     5.013   47.262   45.102
LGA    T    96_A      T    96_A     5.596     0    0.186   0.968     8.226   30.357   22.517
LGA    L    97_A      L    97_A     3.869     0    0.000   0.114     4.635   38.810   41.131
LGA    D    98_A      D    98_A     3.235     0    0.040   0.930     6.930   48.333   38.631
LGA    L    99_A      L    99_A     3.563     0    0.076   0.130     4.916   43.452   38.869
LGA    D   100_A      D   100_A     3.368     0    0.207   1.168     7.205   50.000   37.024
LGA    C   101_A      C   101_A     3.181     0    0.262   0.239     3.982   48.333   47.778
LGA    V   102_A      V   102_A     3.266     0    0.110   1.074     4.171   50.119   48.231
LGA    Q   103_A      Q   103_A     3.811     0    0.000   0.840     6.592   41.786   33.280
LGA    D   104_A      D   104_A     4.104     0    0.000   0.042     5.035   40.238   35.893
LGA    V   105_A      V   105_A     3.418     0    0.048   0.063     4.167   45.119   47.279
LGA    L   106_A      L   106_A     4.303     0    0.018   0.093     5.439   34.524   34.405
LGA    G   107_A      G   107_A     5.440     0    0.021   0.021     6.158   24.048   24.048
LGA    A   108_A      A   108_A     5.351     0    0.082   0.096     5.754   25.000   26.286
LGA    A   109_A      A   109_A     5.628     0    0.134   0.149     6.443   20.476   21.619
LGA    V   110_A      V   110_A     6.862     0    0.034   0.067     7.498   13.452   11.973
LGA    F   111_A      F   111_A     6.114     0    0.191   1.091     9.950   17.143   11.082
LGA    L   112_A      L   112_A     5.557     0    0.090   0.084     6.191   19.286   24.702
LGA    Q   113_A      Q   113_A     7.119     0    0.028   0.127     8.713   11.071    7.884
LGA    M   114_A      M   114_A     6.640     0    0.131   0.879     7.310   13.333   12.976
LGA    L   115_A      L   115_A     6.962     0    0.058   0.180     8.120   13.452   10.357
LGA    P   116_A      P   116_A     6.531     0    0.074   0.079     7.595   17.381   13.810
LGA    V   117_A      V   117_A     5.027     0    0.012   0.000     5.589   29.048   30.136
LGA    V   118_A      V   118_A     4.770     0    0.035   0.090     5.503   32.857   29.320
LGA    E   119_A      E   119_A     5.373     0    0.044   0.403     8.126   28.810   18.942
LGA    L   120_A      L   120_A     4.680     0    0.013   0.084     5.704   35.833   31.071
LGA    C   121_A      C   121_A     3.129     0    0.035   0.734     4.738   50.119   48.175
LGA    E   122_A      E   122_A     3.452     0    0.000   0.172     5.235   50.000   41.058
LGA    E   123_A      E   123_A     4.130     0    0.030   0.845     8.103   41.786   25.291
LGA    F   124_A      F   124_A     3.254     0    0.000   1.292     9.170   51.905   30.996
LGA    L   125_A      L   125_A     1.977     0    0.042   1.377     4.384   68.810   58.214
LGA    K   126_A      K   126_A     2.462     0    0.044   1.419     9.942   60.952   41.323
LGA    A   127_A      A   127_A     3.323     0    0.126   0.140     3.846   51.786   50.095
LGA    A   128_A      A   128_A     2.872     0    0.374   0.354     2.921   59.048   58.667
LGA    M   129_A      M   129_A     1.992     0    0.633   1.570     9.254   75.119   51.964

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      122     488    488  100.00     926    926  100.00               125
SUMMARY(RMSD_GDC):     4.091          4.078                  4.680           44.113   40.417

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  125    4.0     73    2.89    50.800    48.964     2.444

LGA_LOCAL      RMSD:   2.887  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.182  Number of assigned atoms:  122 
Std_ASGN_ATOMS RMSD:   4.091  Standard rmsd on all 122 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.155040 * X  +   0.899175 * Y  +  -0.409202 * Z  + -35.185555
  Y_new =   0.373600 * X  +   0.436815 * Y  +   0.818301 * Z  + -410.914612
  Z_new =   0.914541 * X  +  -0.026008 * Y  +  -0.403656 * Z  + -78.659668 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.964158 -1.154372 -3.077250   [DEG:  112.5380  -66.1407 -176.3134 ]
ZXZ: -2.677895  1.986305  1.599227   [DEG: -153.4321  113.8069   91.6290 ]
 
# END of job
