
#######################################################
#                                                     #
#                        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  113 (  915),  selected  111 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  111 , 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:    98      21_B - 120_B       4.87     6.40
  LCS_AVERAGE:     70.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      21_B - 60_B        1.75     7.53
  LCS_AVERAGE:     17.28

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      21_B - 42_B        0.94     7.33
  LCS_AVERAGE:      8.67

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  111
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     Y    21_B     Y    21_B     22   40   98     14   27   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    22_B     D    22_B     22   40   98     14   27   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     A    23_B     A    23_B     22   40   98     14   28   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     M    24_B     M    24_B     22   40   98     14   28   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     N    25_B     N    25_B     22   40   98     14   28   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E    26_B     E    26_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     G    27_B     G    27_B     22   40   98     14   29   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    28_B     D    28_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     M    29_B     M    29_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E    30_B     E    30_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K    31_B     K    31_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     L    32_B     L    32_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     R    33_B     R    33_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     S    34_B     S    34_B     22   40   98     14   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     L    35_B     L    35_B     22   40   98     10   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    36_B     V    36_B     22   40   98      8   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    37_B     D    37_B     22   40   98      5   22   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     P    38_B     P    38_B     22   40   98      5   21   35   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    39_B     D    39_B     22   40   98     10   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     A    40_B     A    40_B     22   40   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     S    41_B     S    41_B     22   40   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     F    42_B     F    42_B     22   40   98      8   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    43_B     V    43_B     12   40   98      3   10   21   44   49   54   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    44_B     D    44_B     12   40   98      3    9   21   44   49   52   57   67   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     A    45_B     A    45_B      6   40   98      4    5    7   11   15   46   53   59   77   83   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     R    46_B     R    46_B      6   40   98      3    5    7   23   42   48   53   59   73   81   86   94   95   96   97   98   99   99  101  101 
LCS_GDT     T    47_B     T    47_B     13   40   98      5   15   28   43   47   54   57   67   77   83   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     N    48_B     N    48_B     13   40   98      8   22   40   45   49   54   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Q    49_B     Q    49_B     13   40   98      4   15   30   43   47   54   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    50_B     V    50_B     13   40   98      8   25   41   45   49   54   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Y    51_B     Y    51_B     13   40   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    52_B     D    52_B     13   40   98     10   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K    53_B     K    53_B     13   40   98      8   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    54_B     D    54_B     13   40   98     10   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Q    55_B     Q    55_B     13   40   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     F    56_B     F    56_B     13   40   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     L    57_B     L    57_B     13   40   98      8   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Q    58_B     Q    58_B     13   40   98      8   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     M    59_B     M    59_B     13   40   98      7   19   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     I    60_B     I    60_B      6   40   98      4    5   12   17   24   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K    61_B     K    61_B      6   16   98      5    5    7    8   15   24   36   55   77   83   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E    62_B     E    62_B      6    8   98      5    5   18   20   42   53   57   65   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     A    63_B     A    63_B      6    8   98      5    8   13   17   23   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     L    64_B     L    64_B      6    8   98      5    7   10   15   19   26   34   51   72   83   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E    65_B     E    65_B      6   11   98      5    5    6   10   22   36   55   61   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Q    66_B     Q    66_B      4   11   98      4    4   10   28   38   53   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    67_B     D    67_B      6   11   98      5   15   21   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     L    68_B     L    68_B      6   11   98      5   15   23   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K    69_B     K    69_B      6   11   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    70_B     V    70_B      6   11   98     11   31   41   45   49   54   59   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E    71_B     E    71_B      6   11   98      3   31   41   45   49   54   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    72_B     V    72_B      6   11   98     11   31   41   45   49   54   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K    73_B     K    73_B      6   11   98      4   20   38   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     S    74_B     S    74_B      6   11   98      4    5   12   25   43   52   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     I    75_B     I    75_B      6   11   98      4    5    6    8   12   25   51   67   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    76_B     D    76_B      4    7   98      4   10   13   23   29   42   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     I    77_B     I    77_B      4    7   98      4   10   13   23   29   45   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E    78_B     E    78_B      4    7   98      3    5   13   23   30   45   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Q    79_B     Q    79_B      4    7   98      3    4    4    6   20   34   41   51   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Q    80_B     Q    80_B      4   12   98      3    4   10   17   26   34   49   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     P    81_B     P    81_B      4   12   98      3    5   10   12   18   26   34   45   60   81   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    82_B     D    82_B      4   12   98      3    4   10   14   18   31   44   57   73   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     G    83_B     G    83_B     11   15   98      3   10   13   23   29   45   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D    84_B     D    84_B     11   15   98      3    9   13   17   24   38   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    85_B     V    85_B     11   15   98      6    9   13   17   24   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    86_B     V    86_B     11   15   98      6   10   13   18   24   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     I    87_B     I    87_B     11   15   98      6   10   13   17   24   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    88_B     V    88_B     11   15   98      6   10   13   17   26   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K    89_B     K    89_B     11   15   98      5   10   13   17   26   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    90_B     V    90_B     11   15   98      6   10   13   18   29   45   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K    91_B     K    91_B     11   15   98      6   10   13   17   29   40   57   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    92_B     V    92_B     11   15   98      4   10   13   23   29   45   59   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     R    93_B     R    93_B     11   15   98      3    8   13   23   29   45   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     A    94_B     A    94_B     10   15   98      3    4    6   17   21   36   52   67   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     T    95_B     T    95_B      5   15   98      3    8   13   17   22   40   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     M    96_B     M    96_B      3   15   98      1    5   19   37   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V    97_B     V    97_B      3   16   98      1    3   24   31   46   54   57   67   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     R    98_B     R    98_B     12   16   98      0   12   21   24   34   53   57   65   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Q   101_B     Q   101_B     13   16   98      5   15   21   27   42   53   57   61   77   83   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E   102_B     E   102_B     13   16   98      4   12   21   24   42   53   57   63   77   83   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     H   103_B     H   103_B     13   16   98      4   15   21   27   42   53   57   65   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V   104_B     V   104_B     13   16   98      5   15   21   28   49   53   57   65   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     F   105_B     F   105_B     13   16   98      4   15   35   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E   106_B     E   106_B     13   16   98      5   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V   107_B     V   107_B     13   16   98      7   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     V   108_B     V   108_B     13   16   98      9   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     D   109_B     D   109_B     13   16   98      4   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     T   110_B     T   110_B     13   16   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     Y   111_B     Y   111_B     13   16   98     11   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     E   112_B     E   112_B     13   16   98      7   31   41   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     F   113_B     F   113_B     13   16   98      3   16   38   45   49   54   60   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     R   114_B     R   114_B      6   16   98      3   11   17   29   44   53   59   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     R   115_B     R   115_B      3   16   98      3    3    3    4    6   14   22   50   77   83   89   94   95   96   97   98   99   99  101  101 
LCS_GDT     K   116_B     K   116_B      4    4   98      3    3    6    6    7   12   16   19   24   54   83   87   92   94   97   98   99   99  101  101 
LCS_GDT     G   117_B     G   117_B      4    4   98      3    3    4    4    4   12   15   18   23   37   47   55   72   82   89   91   95   99  101  101 
LCS_GDT     D   118_B     D   118_B      5    9   98      3    5    5    6    9    9   13   13   17   22   26   30   35   41   48   68   71   81   89   91 
LCS_GDT     S   119_B     S   119_B      5    9   98      4    5    5    6    9   11   14   16   17   22   26   30   35   41   48   68   73   83   89   92 
LCS_GDT     W   120_B     W   120_B      5    9   98      4    5    5    6    9   11   14   15   17   22   26   30   35   45   58   68   75   83   89   92 
LCS_GDT     K   121_B     K   121_B      5    9   17      4    5    5    6    9   11   12   15   17   22   26   30   35   41   53   68   76   83   91   95 
LCS_GDT     I   122_B     I   122_B      5    9   17      4    5    5    6    9   11   12   15   17   22   26   30   41   45   53   68   76   83   91   95 
LCS_GDT     V   123_B     V   123_B      4    9   17      3    4    5    6    9    9    9   10   11   13   17   19   35   37   41   47   55   64   77   82 
LCS_GDT     K   124_B     K   124_B      4    9   17      0    4    4    6    9    9    9   11   11   13   26   30   35   37   41   47   55   64   77   82 
LCS_GDT     L   125_B     L   125_B      4    9   17      3    3    4    6    9    9   10   15   17   22   26   30   35   38   41   53   64   81   88   95 
LCS_GDT     V   126_B     V   126_B      4    9   17      3    3    4    6    9    9    9   15   17   22   26   30   35   44   48   53   71   81   89   95 
LCS_GDT     S   127_B     S   127_B      3    3   17      3    3    5    6    6    8   12   15   17   22   27   37   42   53   64   69   77   89   95  100 
LCS_GDT     E   128_B     E   128_B      3    3   17      3    3    3    3    3    5    7   15   24   39   47   51   72   84   88   91   97   99  101  101 
LCS_GDT     I   129_B     I   129_B      3    3   17      3    3    3    4    5    8    9   19   21   39   47   70   81   88   92   97   99   99  101  101 
LCS_GDT     T   130_B     T   130_B      3    3   17      3    3    3    4    5   10   16   19   34   54   66   86   89   94   97   98   99   99  101  101 
LCS_GDT     Q   131_B     Q   131_B      3    3   17      3    7   10   15   19   21   38   51   70   83   87   91   95   96   97   98   99   99  101  101 
LCS_GDT     L   132_B     L   132_B      3    3   17      3    3    4   17   21   32   46   57   69   75   84   91   95   96   97   98   99   99  101  101 
LCS_GDT     G   133_B     G   133_B      3    3   17      3    3    4    4   24   38   54   68   77   84   89   94   95   96   97   98   99   99  101  101 
LCS_AVERAGE  LCS_A:  32.07  (   8.67   17.28   70.25 )

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     31     41     45     49     54     60     68     77     84     89     94     95     96     97     98     99     99    101    101 
GDT PERCENT_AT  11.11  24.60  32.54  35.71  38.89  42.86  47.62  53.97  61.11  66.67  70.63  74.60  75.40  76.19  76.98  77.78  78.57  78.57  80.16  80.16
GDT RMS_LOCAL    0.24   0.69   0.87   1.04   1.22   1.55   2.52   2.66   2.90   3.29   3.45   3.68   3.75   3.79   3.87   3.96   4.07   4.07   4.36   4.36
GDT RMS_ALL_AT   7.97   7.31   7.31   7.22   7.31   7.35   6.53   6.57   6.69   6.64   6.63   6.64   6.59   6.58   6.55   6.52   6.48   6.48   6.41   6.41

# Checking swapping
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  E    30_B      E    30_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Y    21_B      Y    21_B     2.577     0    0.031   0.093     2.939   57.143   57.143
LGA    D    22_B      D    22_B     2.568     0    0.045   1.180     3.835   60.952   61.310
LGA    A    23_B      A    23_B     2.332     0    0.036   0.038     2.423   64.762   64.762
LGA    M    24_B      M    24_B     2.227     0    0.027   0.938     3.954   64.762   61.250
LGA    N    25_B      N    25_B     2.390     0    0.087   0.781     2.481   64.762   71.071
LGA    E    26_B      E    26_B     2.028     0    0.101   0.912     3.570   68.810   62.540
LGA    G    27_B      G    27_B     1.932     0    0.067   0.067     2.202   70.833   70.833
LGA    D    28_B      D    28_B     1.589     0    0.047   0.227     2.321   77.143   75.060
LGA    M    29_B      M    29_B     1.261     0    0.067   0.779     4.661   81.429   70.952
LGA    E    30_B      E    30_B     1.098     0    0.049   1.142     5.576   81.429   65.344
LGA    K    31_B      K    31_B     1.312     0    0.028   0.946     6.417   79.286   63.333
LGA    L    32_B      L    32_B     1.416     0    0.029   0.077     1.670   79.286   79.286
LGA    R    33_B      R    33_B     1.366     0    0.056   1.284     4.650   81.429   73.810
LGA    S    34_B      S    34_B     1.206     0    0.186   0.748     3.015   79.286   74.762
LGA    L    35_B      L    35_B     0.980     0    0.192   0.172     1.648   81.548   83.750
LGA    V    36_B      V    36_B     0.622     0    0.060   1.094     2.895   85.952   80.816
LGA    D    37_B      D    37_B     1.992     0    0.059   1.092     3.485   77.143   69.167
LGA    P    38_B      P    38_B     2.060     0    0.035   0.242     2.943   70.952   65.034
LGA    D    39_B      D    39_B     1.918     0    0.219   0.462     2.661   70.833   66.845
LGA    A    40_B      A    40_B     1.562     0    0.040   0.065     1.562   77.143   78.000
LGA    S    41_B      S    41_B     1.950     0    0.135   0.207     2.502   66.905   66.190
LGA    F    42_B      F    42_B     2.131     0    0.036   0.075     2.794   62.976   72.381
LGA    V    43_B      V    43_B     4.268     0    0.582   0.605     5.326   35.952   35.646
LGA    D    44_B      D    44_B     4.857     0    0.049   1.042     7.513   34.405   23.095
LGA    A    45_B      A    45_B     4.924     0    0.609   0.603     7.698   34.286   28.857
LGA    R    46_B      R    46_B     5.678     0    0.622   1.374     7.493   18.571   17.403
LGA    T    47_B      T    47_B     5.021     0    0.118   1.273     7.283   28.810   22.381
LGA    N    48_B      N    48_B     4.035     0    0.078   1.104     6.155   37.143   36.250
LGA    Q    49_B      Q    49_B     4.419     0    0.081   1.038     8.835   40.238   27.884
LGA    V    50_B      V    50_B     3.199     0    0.081   0.086     4.643   55.714   49.660
LGA    Y    51_B      Y    51_B     1.434     0    0.058   0.064     2.230   75.119   74.444
LGA    D    52_B      D    52_B     1.150     0    0.043   0.808     3.465   88.333   73.988
LGA    K    53_B      K    53_B     0.391     0    0.050   0.660     2.576   97.619   84.233
LGA    D    54_B      D    54_B     0.415     0    0.044   0.234     1.094  100.000   95.298
LGA    Q    55_B      Q    55_B     0.283     0    0.024   0.873     3.027  100.000   85.873
LGA    F    56_B      F    56_B     0.473     0    0.040   0.128     0.778   95.238   97.403
LGA    L    57_B      L    57_B     0.714     0    0.044   1.012     3.296   90.595   82.143
LGA    Q    58_B      Q    58_B     0.923     0    0.044   1.006     2.236   85.952   84.709
LGA    M    59_B      M    59_B     1.215     0    0.640   1.171     4.321   81.548   69.940
LGA    I    60_B      I    60_B     4.374     0    0.535   1.614    10.861   33.333   20.179
LGA    K    61_B      K    61_B     7.379     0    0.099   1.169    14.220   15.476    7.037
LGA    E    62_B      E    62_B     5.180     0    0.050   1.064     9.687   34.762   20.159
LGA    A    63_B      A    63_B     3.667     0    0.054   0.053     5.720   42.262   38.095
LGA    L    64_B      L    64_B     7.608     0    0.111   1.057    13.673   11.429    5.774
LGA    E    65_B      E    65_B     7.332     0    0.590   1.343    14.844   14.524    6.508
LGA    Q    66_B      Q    66_B     3.959     0    0.316   1.234    11.892   38.810   20.423
LGA    D    67_B      D    67_B     4.009     0    0.323   0.897     6.186   41.786   36.250
LGA    L    68_B      L    68_B     3.221     0    0.040   0.080     3.809   53.810   50.238
LGA    K    69_B      K    69_B     2.738     0    0.045   1.432    10.907   57.143   35.556
LGA    V    70_B      V    70_B     2.937     0    0.083   1.179     4.325   51.905   50.272
LGA    E    71_B      E    71_B     3.420     0    0.081   0.815     7.134   50.000   36.825
LGA    V    72_B      V    72_B     3.186     0    0.205   0.246     3.915   50.119   50.068
LGA    K    73_B      K    73_B     1.455     0    0.126   0.727     4.359   79.286   65.132
LGA    S    74_B      S    74_B     2.325     0    0.331   0.735     4.599   56.905   57.063
LGA    I    75_B      I    75_B     4.547     0    0.593   0.925    11.012   51.190   29.762
LGA    D    76_B      D    76_B     3.709     0    0.408   1.155     8.735   48.452   30.000
LGA    I    77_B      I    77_B     3.690     0    0.043   1.023     5.553   41.786   40.774
LGA    E    78_B      E    78_B     3.485     0    0.091   0.801     7.026   46.667   38.254
LGA    Q    79_B      Q    79_B     5.975     0    0.075   0.731    14.269   17.976    8.307
LGA    Q    80_B      Q    80_B     5.845     0    0.052   1.420     6.481   21.548   24.868
LGA    P    81_B      P    81_B     8.750     0    0.759   0.615    11.355    7.976    4.626
LGA    D    82_B      D    82_B     7.493     0    0.371   1.073     9.666   22.381   13.214
LGA    G    83_B      G    83_B     3.191     0    0.610   0.610     4.623   38.929   38.929
LGA    D    84_B      D    84_B     4.357     0    0.277   0.274     5.067   34.405   33.631
LGA    V    85_B      V    85_B     3.959     0    0.045   0.137     4.639   43.333   39.864
LGA    V    86_B      V    86_B     3.701     0    0.068   0.151     3.807   43.333   43.333
LGA    I    87_B      I    87_B     3.836     0    0.113   0.638     5.190   43.333   39.643
LGA    V    88_B      V    88_B     3.788     0    0.110   0.177     4.299   43.333   42.449
LGA    K    89_B      K    89_B     3.937     0    0.086   1.364     9.224   43.333   30.212
LGA    V    90_B      V    90_B     3.520     0    0.118   0.156     3.658   43.333   45.238
LGA    K    91_B      K    91_B     4.075     0    0.029   0.734     6.432   40.238   31.481
LGA    V    92_B      V    92_B     3.686     0    0.074   1.124     6.449   45.000   41.633
LGA    R    93_B      R    93_B     3.208     0    0.029   1.062     6.592   46.667   41.515
LGA    A    94_B      A    94_B     4.548     0    0.142   0.180     5.051   37.262   35.048
LGA    T    95_B      T    95_B     4.135     0    0.404   0.408     5.541   34.762   34.150
LGA    M    96_B      M    96_B     2.488     0    0.598   1.055     3.248   64.881   64.286
LGA    V    97_B      V    97_B     5.984     0    0.574   0.564     9.446   20.595   12.585
LGA    R    98_B      R    98_B     6.538     0    0.262   1.290    17.195   14.524    6.190
LGA    Q   101_B      Q   101_B     7.500     0    0.146   0.992    12.487    9.405    5.132
LGA    E   102_B      E   102_B     6.885     0    0.063   1.065     7.230   14.405   18.942
LGA    H   103_B      H   103_B     6.014     0    0.020   1.247     9.268   19.286   13.429
LGA    V   104_B      V   104_B     5.312     0    0.063   1.035     6.996   27.619   25.238
LGA    F   105_B      F   105_B     3.295     0    0.096   1.250     7.005   46.786   38.485
LGA    E   106_B      E   106_B     2.918     0    0.062   1.113     4.207   60.952   52.698
LGA    V   107_B      V   107_B     2.194     0    0.058   1.060     4.269   62.857   62.109
LGA    V   108_B      V   108_B     2.231     0    0.095   1.098     4.091   66.786   65.646
LGA    D   109_B      D   109_B     2.536     0    0.134   0.253     2.632   57.143   60.000
LGA    T   110_B      T   110_B     2.586     0    0.090   1.146     4.709   60.952   60.408
LGA    Y   111_B      Y   111_B     2.583     0    0.088   1.355     6.201   60.952   48.611
LGA    E   112_B      E   112_B     2.498     0    0.074   0.830     5.749   66.905   52.169
LGA    F   113_B      F   113_B     1.425     0    0.039   1.057     5.052   69.048   55.498
LGA    R   114_B      R   114_B     3.750     0    0.272   1.522    10.039   46.786   27.792
LGA    R   115_B      R   115_B     6.793     0    0.133   0.928    17.760   17.500    6.667
LGA    K   116_B      K   116_B     8.533     0    0.126   1.250    12.686    3.333    1.958
LGA    G   117_B      G   117_B    12.496     0    0.373   0.373    15.632    0.000    0.000
LGA    D   118_B      D   118_B    17.810     0    0.694   0.740    22.747    0.000    0.000
LGA    S   119_B      S   119_B    16.494     0    0.143   0.593    17.189    0.000    0.000
LGA    W   120_B      W   120_B    16.019     0    0.092   1.153    19.149    0.000    0.000
LGA    K   121_B      K   121_B    15.333     0    0.057   1.568    20.609    0.000    0.000
LGA    I   122_B      I   122_B    15.323     0    0.113   0.903    17.204    0.000    0.000
LGA    V   123_B      V   123_B    18.282     0    0.677   0.618    19.939    0.000    0.000
LGA    K   124_B      K   124_B    18.382     0    0.270   1.111    19.196    0.000    0.000
LGA    L   125_B      L   125_B    16.655     0    0.585   0.958    17.553    0.000    0.000
LGA    V   126_B      V   126_B    16.772     0    0.611   0.592    17.648    0.000    0.000
LGA    S   127_B      S   127_B    14.255     0    0.582   0.668    14.754    0.000    0.000
LGA    E   128_B      E   128_B    11.424     0    0.554   0.826    13.463    0.000    0.000
LGA    I   129_B      I   129_B    10.169     0    0.569   0.970    12.692    0.000    0.893
LGA    T   130_B      T   130_B     8.869     0    0.594   1.014     9.814    2.381    4.626
LGA    Q   131_B      Q   131_B     7.150     0    0.589   1.059    11.743   11.071    6.455
LGA    L   132_B      L   132_B     5.842     0    0.053   0.891     9.819   22.738   15.655
LGA    G   133_B      G   133_B     4.549     0    0.373   0.373     5.974   27.857   27.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      111     444    444  100.00     903    903  100.00               126
SUMMARY(RMSD_GDC):     6.198          6.173                  6.952           39.570   35.259

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  126    4.0     68    2.66    48.016    42.666     2.462

LGA_LOCAL      RMSD:   2.662  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.567  Number of assigned atoms:  111 
Std_ASGN_ATOMS RMSD:   6.198  Standard rmsd on all 111 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.945266 * X  +  -0.135228 * Y  +   0.296959 * Z  +   6.373980
  Y_new =  -0.323937 * X  +  -0.498239 * Y  +   0.804253 * Z  +  16.965975
  Z_new =   0.039199 * X  +  -0.856429 * Y  +  -0.514774 * Z  +  74.809647 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.330151 -0.039209 -2.112002   [DEG:  -18.9163   -2.2465 -121.0088 ]
ZXZ:  2.787884  2.111540  3.095854   [DEG:  159.7340  120.9823  177.3794 ]
 
# END of job
