
#######################################################
#                                                     #
#                        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  126 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        4.60     7.12
  LCS_AVERAGE:     57.08

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73       2_A - 74_A        1.93     7.23
  LCS_AVERAGE:     40.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      24_A - 63_A        0.94     7.13
  LONGEST_CONTINUOUS_SEGMENT:    40      25_A - 64_A        0.83     7.15
  LONGEST_CONTINUOUS_SEGMENT:    40      26_A - 65_A        0.94     7.17
  LCS_AVERAGE:     17.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     M     1_F     M     1_A      4   71   88      3    4    4   13   19   26   30   63   77   90   96   98   99  101  102  104  107  109  111  111 
LCS_GDT     F     2_F     F     2_A      4   73   88      3    4    4    4   39   42   61   79   88   93   96   98   99  101  103  104  107  109  111  111 
LCS_GDT     T     3_F     T     3_A     13   73   88      4   43   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     G     4_F     G     4_A     16   73   88     10   47   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     W     5_F     W     5_A     16   73   88     29   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S     6_F     S     6_A     16   73   88     34   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     P     7_F     P     7_A     16   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F     8_F     F     8_A     16   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     K     9_F     K     9_A     16   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     Y    10_F     Y    10_A     16   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    11_F     S    11_A     16   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     K    12_F     K    12_A     16   73   88     38   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     G    13_F     G    13_A     16   73   88     40   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     N    14_F     N    14_A     16   73   88     29   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T    15_F     T    15_A     16   73   88      6   57   63   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     V    16_F     V    16_A     16   73   88      9   16   21   39   70   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T    17_F     T    17_A     16   73   88      9   16   41   65   75   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    18_F     F    18_A     16   73   88      4   18   47   67   75   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     K    19_F     K    19_A     16   73   88      4   18   36   64   73   80   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T    20_F     T    20_A      5   73   88     10   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     P    21_F     P    21_A      5   73   88      4    9   19   51   74   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     D    22_F     D    22_A      5   73   88      4    4    9   44   67   78   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     E    23_F     E    23_A      5   73   88      3    4   15   36   67   78   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    24_F     S    24_A     40   73   88      3    5   36   60   71   80   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    25_F     S    25_A     40   73   88      3    3   48   63   71   79   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     I    26_F     I    26_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     A    27_F     A    27_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     Y    28_F     Y    28_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     M    29_F     M    29_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     R    30_F     R    30_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    31_F     F    31_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     R    32_F     R    32_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     N    33_F     N    33_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     C    34_F     C    34_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     V    35_F     V    35_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    36_F     F    36_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T    37_F     T    37_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    38_F     F    38_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T    39_F     T    39_A     40   73   88     40   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     D    40_F     D    40_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     P    41_F     P    41_A     40   73   88     40   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     K    42_F     K    42_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     G    43_F     G    43_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    44_F     S    44_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     L    45_F     L    45_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     H    46_F     H    46_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    47_F     S    47_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     I    48_F     I    48_A     40   73   88     30   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     D    49_F     D    49_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     V    50_F     V    50_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T    51_F     T    51_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     E    52_F     E    52_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     V    53_F     V    53_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     L    54_F     L    54_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     N    55_F     N    55_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     N    56_F     N    56_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     M    57_F     M    57_A     40   73   88     41   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     A    58_F     A    58_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     K    59_F     K    59_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     G    60_F     G    60_A     40   73   88     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    61_F     F    61_A     40   73   88      3   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     R    62_F     R    62_A     40   73   88     38   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     D    63_F     D    63_A     40   73   88      9   31   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     A    64_F     A    64_A     40   73   88      9   20   51   69   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     Q    65_F     Q    65_A     40   73   88      9   17   33   69   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     N    66_F     N    66_A     16   73   88      7   20   47   69   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     P    67_F     P    67_A     16   73   88      9   45   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     P    68_F     P    68_A     16   73   88      9   43   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    69_F     S    69_A     16   73   88      8   17   60   70   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    70_F     S    70_A     16   73   88      9   33   63   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    71_F     F    71_A     16   73   88     20   57   63   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T    72_F     T    72_A     16   73   88      9   44   63   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     L    73_F     L    73_A     16   73   88      9   16   35   63   70   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     G    74_F     G    74_A     16   73   88      3   16   26   32   56   76   84   87   91   97   97   98  100  101  103  104  107  109  111  111 
LCS_GDT     G    75_F     G    75_A      4   51   88      3    4    5    8   20   24   29   37   46   68   76   86   94   95  101  104  105  107  111  111 
LCS_GDT     H    76_F     H    76_A      4   22   88      3    4    7   11   20   24   34   42   51   71   79   86   94   95  101  103  105  107  111  111 
LCS_GDT     C    77_F     C    77_A      3   21   88      3    3    3   10   18   32   54   70   77   84   91   93   97  101  102  104  107  109  111  111 
LCS_GDT     Q    78_F     Q    78_A      3    5   88      3    3    3    4    4    5   12   13   13   85   91   96   99  101  103  104  107  109  111  111 
LCS_GDT     A    79_F     A    79_A      3    5   88      2    3    4    5    8   10   12   13   13   18   23   96   99  100  103  104  107  109  111  111 
LCS_GDT     P    80_F     P    80_A      3    7   88      3    3    4    7    7    8   10   11   13   16   19   20   31   32   33   33  103  105  107  110 
LCS_GDT     L    81_F     L    81_A      6    7   88      4    5    6    7    7    8   10   11   13   16   19   25   33   99  101  102  106  107  110  110 
LCS_GDT     N    82_F     N    82_A      6    7   88      4    5    6    7    8   10   50   61   78   83   94   97   99  101  103  104  107  109  111  111 
LCS_GDT     A    83_F     A    83_A      6    7   88      4    6   21   37   56   77   84   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    84_F     F    84_A      6    7   88      4    5   16   34   66   77   84   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     S    85_F     S    85_A      8    8   88      4    6    9   32   49   77   83   89   92   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     F    86_F     F    86_A      8    8   88      4    7    8    9    9   20   28   35   63   83   90   95   99  101  103  104  107  109  111  111 
LCS_GDT     V    87_F     V    87_A      8    8   88      5    7    8    9   10   13   16   17   17   21   29   35   42   52   59   67   80   88   93  102 
LCS_GDT     L    88_F     L    88_A      8    8   88      5    7    8    9    9   10   12   15   16   18   21   25   27   29   35   40   47   53   57   65 
LCS_GDT     P    89_F     P    89_A      8    8   19      5    7    8    9    9   10   12   13   13   15   19   20   22   25   28   30   33   38   41   49 
LCS_GDT     G    90_F     G    90_A      8    8   19      5    7    8    9    9   10   12   13   13   16   19   20   22   25   26   29   31   34   36   40 
LCS_GDT     V    91_F     V    91_A      8    8   19      5    7    8    9    9   10   12   13   13   16   19   20   22   25   27   29   31   38   41   43 
LCS_GDT     N    92_F     N    92_A      8    8   22      4    7    8    9    9   10   12   13   13   16   19   20   22   25   28   33   38   41   48   55 
LCS_GDT     D    93_F     D    93_A      4    5   26      3    4    4    5    5    7    9   11   14   20   29   36   44   52   59   67   82   88   99  102 
LCS_GDT     R    94_F     R    94_A      4    5   28      3    4    4    5    5   12   16   20   27   33   47   52   64   75   86   96   99  103  107  109 
LCS_GDT     A    95_F     A    95_A      3    5   30      3    3    3    5   11   13   16   17   22   24   30   40   43   54   57   70   77   83   94   99 
LCS_GDT     T    96_F     T    96_A      3    4   30      3    3    3    7    9   13   16   20   27   33   43   50   63   75   86   96   99  103  107  109 
LCS_GDT     V    97_F     V    97_A      3   15   30      3    3    3    4    6   13   19   30   35   40   49   61   78   91   94  103  105  106  108  110 
LCS_GDT     A    98_F     A    98_A     12   15   30      4    8    9   14   18   26   30   35   42   47   61   83   94  100  103  104  105  109  111  111 
LCS_GDT     T    99_F     T    99_A     12   16   30      7   11   17   22   27   31   40   49   73   86   94   98   99  101  103  104  107  109  111  111 
LCS_GDT     A   100_F     A   100_A     12   16   30      7   12   18   23   30   36   57   77   89   94   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     D   101_F     D   101_A     12   16   30      7   11   18   22   30   35   52   77   89   94   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     E   102_F     E   102_A     12   19   30      7   11   18   22   30   36   61   82   89   94   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     A   103_F     A   103_A     12   21   30      7   11   18   27   32   56   77   87   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     K   104_F     K   104_A     12   21   30      7   12   22   42   61   74   82   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     K   105_F     K   105_A     12   21   30      7   12   20   42   63   77   84   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     W   106_F     W   106_A     12   21   30      7   12   29   65   73   79   84   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     E   107_F     E   107_A     14   21   30      7   14   39   64   73   79   84   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     N   108_F     N   108_A     14   21   30      7   23   57   66   73   79   84   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     C   109_F     C   109_A     15   21   30     10   58   64   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     D   110_F     D   110_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     A   111_F     A   111_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T   112_F     T   112_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     L   113_F     L   113_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     T   114_F     T   114_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     G   115_F     G   115_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     L   116_F     L   116_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     Q   117_F     Q   117_A     15   21   30     42   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     R   118_F     R   118_A     15   21   30     38   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     I   119_F     I   119_A     15   21   30     38   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     I   120_F     I   120_A     15   21   30     26   58   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     H   121_F     H   121_A     15   21   30     11   47   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     H   122_F     H   122_A     15   21   30      4   40   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     H   123_F     H   123_A     15   21   30      3   40   65   72   76   81   85   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_GDT     H   124_F     H   124_A      8   20   30      0    3    3   23   47   74   84   89   93   97   97   99  100  101  103  104  107  109  111  111 
LCS_AVERAGE  LCS_A:  38.09  (  17.01   40.19   57.08 )

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     42     58     65     72     76     81     85     89     93     97     97     99    100    101    103    104    107    109    111    111 
GDT PERCENT_AT  33.87  46.77  52.42  58.06  61.29  65.32  68.55  71.77  75.00  78.23  78.23  79.84  80.65  81.45  83.06  83.87  86.29  87.90  89.52  89.52
GDT RMS_LOCAL    0.31   0.48   0.79   0.94   1.14   1.39   1.57   1.74   1.94   2.17   2.17   2.45   2.50   2.60   2.79   2.89   3.18   3.38   3.64   3.64
GDT RMS_ALL_AT   7.09   7.09   7.14   7.13   7.20   7.17   7.18   7.15   7.12   7.08   7.08   7.07   7.06   7.06   7.03   7.08   7.09   7.09   7.10   7.10

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  E   102_F      E   102_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     7.917     0    0.045   0.947     9.769    6.905   17.976
LGA    F     2_F      F     2_A     6.662     0    0.016   1.392    11.976   27.500   10.606
LGA    T     3_F      T     3_A     1.619     0    0.693   0.961     6.239   75.952   55.646
LGA    G     4_F      G     4_A     1.669     0    0.136   0.136     1.669   81.548   81.548
LGA    W     5_F      W     5_A     0.805     0    0.100   0.156     1.028   88.214   89.830
LGA    S     6_F      S     6_A     0.630     0    0.039   0.246     1.135   90.476   88.968
LGA    P     7_F      P     7_A     0.811     0    0.034   0.218     0.828   90.476   90.476
LGA    F     8_F      F     8_A     0.785     0    0.046   0.076     0.827   90.476   92.208
LGA    K     9_F      K     9_A     0.883     0    0.037   0.393     1.527   90.476   88.519
LGA    Y    10_F      Y    10_A     0.747     0    0.068   0.370     2.401   90.476   79.603
LGA    S    11_F      S    11_A     0.260     0    0.087   0.627     2.214   95.238   90.952
LGA    K    12_F      K    12_A     0.796     0    0.014   0.117     1.754   92.857   84.603
LGA    G    13_F      G    13_A     0.877     0    0.042   0.042     1.291   85.952   85.952
LGA    N    14_F      N    14_A     1.311     0    0.052   0.069     1.812   77.143   78.214
LGA    T    15_F      T    15_A     1.982     0    0.023   0.320     2.615   65.000   70.816
LGA    V    16_F      V    16_A     3.865     0    0.076   0.159     5.779   48.333   37.483
LGA    T    17_F      T    17_A     3.140     0    0.042   0.126     3.485   50.000   51.020
LGA    F    18_F      F    18_A     2.790     0    0.108   0.147     2.982   57.143   59.913
LGA    K    19_F      K    19_A     3.221     0    0.144   0.882     5.292   57.381   49.206
LGA    T    20_F      T    20_A     0.928     0    0.022   0.148     2.040   75.238   79.184
LGA    P    21_F      P    21_A     3.270     0    0.024   0.323     4.303   52.024   53.605
LGA    D    22_F      D    22_A     4.063     0    0.653   0.992     4.758   38.929   40.595
LGA    E    23_F      E    23_A     4.477     0    0.314   0.470     8.050   34.405   24.497
LGA    S    24_F      S    24_A     3.856     0    0.615   0.562     4.729   40.476   39.365
LGA    S    25_F      S    25_A     3.388     0    0.638   0.819     6.716   59.286   46.111
LGA    I    26_F      I    26_A     1.118     0    0.159   1.218     2.948   83.810   78.571
LGA    A    27_F      A    27_A     0.962     0    0.049   0.073     1.130   88.214   86.857
LGA    Y    28_F      Y    28_A     1.013     0    0.013   0.332     1.177   85.952   87.460
LGA    M    29_F      M    29_A     0.540     0    0.034   0.961     1.815   90.476   84.940
LGA    R    30_F      R    30_A     0.747     0    0.107   0.131     1.430   90.476   85.541
LGA    F    31_F      F    31_A     0.293     0    0.048   0.082     0.412  100.000  100.000
LGA    R    32_F      R    32_A     0.329     0    0.016   0.445     1.394  100.000   93.160
LGA    N    33_F      N    33_A     0.484     0    0.029   0.229     1.194   95.238   92.917
LGA    C    34_F      C    34_A     0.448     0    0.116   0.144     0.782   97.619   98.413
LGA    V    35_F      V    35_A     0.392     0    0.059   0.059     0.535  100.000   97.279
LGA    F    36_F      F    36_A     0.211     0    0.017   0.304     0.948  100.000   96.537
LGA    T    37_F      T    37_A     0.282     0    0.035   0.109     0.616  100.000   98.639
LGA    F    38_F      F    38_A     0.217     0    0.035   0.086     0.424  100.000  100.000
LGA    T    39_F      T    39_A     0.185     0    0.170   1.052     2.738   95.357   87.347
LGA    D    40_F      D    40_A     0.537     0    0.042   0.070     0.870   92.857   91.667
LGA    P    41_F      P    41_A     0.646     0    0.045   0.154     1.234   90.476   89.184
LGA    K    42_F      K    42_A     0.624     0    0.037   0.317     2.328   90.476   82.698
LGA    G    43_F      G    43_A     0.435     0    0.013   0.013     0.803   95.238   95.238
LGA    S    44_F      S    44_A     0.983     0    0.078   0.183     1.703   90.476   86.032
LGA    L    45_F      L    45_A     0.524     0    0.097   0.433     1.968   95.238   89.583
LGA    H    46_F      H    46_A     0.634     0    0.016   0.093     1.051   95.238   90.571
LGA    S    47_F      S    47_A     0.474     0    0.077   0.684     1.650   92.857   89.127
LGA    I    48_F      I    48_A     0.799     0    0.042   1.261     3.405   92.857   79.226
LGA    D    49_F      D    49_A     0.637     0    0.035   0.375     0.824   90.476   91.667
LGA    V    50_F      V    50_A     0.405     0    0.032   0.047     0.615   97.619   97.279
LGA    T    51_F      T    51_A     0.363     0    0.012   0.039     0.732   97.619   97.279
LGA    E    52_F      E    52_A     0.602     0    0.073   1.078     5.687   92.857   69.153
LGA    V    53_F      V    53_A     0.521     0    0.086   0.101     0.959   92.857   91.837
LGA    L    54_F      L    54_A     0.426     0    0.018   0.088     0.613   95.238   97.619
LGA    N    55_F      N    55_A     0.595     0    0.027   0.169     0.925   92.857   91.667
LGA    N    56_F      N    56_A     0.831     0    0.052   0.092     1.222   88.214   85.952
LGA    M    57_F      M    57_A     0.780     0    0.027   0.873     2.799   90.476   84.048
LGA    A    58_F      A    58_A     0.745     0    0.034   0.032     1.081   88.214   88.667
LGA    K    59_F      K    59_A     0.565     0    0.081   0.202     1.492   90.476   90.529
LGA    G    60_F      G    60_A     0.619     0    0.142   0.142     1.183   88.214   88.214
LGA    F    61_F      F    61_A     1.185     0    0.165   0.644     3.463   85.952   77.576
LGA    R    62_F      R    62_A     0.845     0    0.109   1.530     3.132   85.952   73.723
LGA    D    63_F      D    63_A     1.943     0    0.032   0.282     3.091   67.262   62.202
LGA    A    64_F      A    64_A     2.608     0    0.056   0.062     2.741   59.048   58.667
LGA    Q    65_F      Q    65_A     3.498     0    0.102   0.373     5.695   48.333   37.884
LGA    N    66_F      N    66_A     3.096     0    0.106   0.768     5.955   53.571   45.774
LGA    P    67_F      P    67_A     1.618     0    0.099   0.114     2.088   70.833   74.150
LGA    P    68_F      P    68_A     1.810     0    0.089   0.127     2.029   70.833   71.701
LGA    S    69_F      S    69_A     2.393     0    0.099   0.155     3.215   64.762   59.841
LGA    S    70_F      S    70_A     1.905     0    0.090   0.172     1.986   72.857   72.857
LGA    F    71_F      F    71_A     1.834     0    0.111   0.861     3.046   68.810   65.065
LGA    T    72_F      T    72_A     2.254     0    0.110   0.117     2.727   60.952   64.898
LGA    L    73_F      L    73_A     3.632     0    0.242   0.428     4.936   40.476   46.310
LGA    G    74_F      G    74_A     4.859     0    0.602   0.602     6.154   27.976   27.976
LGA    G    75_F      G    75_A     9.975     0    0.456   0.456    10.845    0.833    0.833
LGA    H    76_F      H    76_A    10.288     0    0.607   0.981    12.948    0.833    0.333
LGA    C    77_F      C    77_A     8.357     0    0.569   0.687     8.991    5.476    4.921
LGA    Q    78_F      Q    78_A     7.898     0    0.359   1.195    10.271    7.857    5.291
LGA    A    79_F      A    79_A     8.512     0    0.041   0.051    10.112    2.619    2.667
LGA    P    80_F      P    80_A    12.761     0    0.697   0.669    14.888    0.000    0.000
LGA    L    81_F      L    81_A    10.635     0    0.129   1.311    14.946    0.714    0.357
LGA    N    82_F      N    82_A     8.327     0    0.128   1.106     9.166   10.119    6.845
LGA    A    83_F      A    83_A     4.641     0    0.027   0.039     5.755   30.357   31.714
LGA    F    84_F      F    84_A     4.604     0    0.396   1.332    10.079   37.262   19.957
LGA    S    85_F      S    85_A     5.100     0    0.575   0.481     7.175   25.119   20.635
LGA    F    86_F      F    86_A     8.285     0    0.138   1.191    11.953    4.524   30.736
LGA    V    87_F      V    87_A    14.855     0    0.074   0.089    18.255    0.000    0.000
LGA    L    88_F      L    88_A    20.607     0    0.024   1.396    23.370    0.000    0.000
LGA    P    89_F      P    89_A    26.039     0    0.078   0.133    29.277    0.000    0.000
LGA    G    90_F      G    90_A    30.349     0    0.091   0.091    31.530    0.000    0.000
LGA    V    91_F      V    91_A    27.105     0    0.590   0.635    28.840    0.000    0.000
LGA    N    92_F      N    92_A    21.692     0    0.023   1.251    23.682    0.000    0.000
LGA    D    93_F      D    93_A    17.441     0    0.260   1.147    20.126    0.000    0.000
LGA    R    94_F      R    94_A    14.066     0    0.611   0.727    15.039    0.000    0.693
LGA    A    95_F      A    95_A    16.189     0    0.630   0.579    17.212    0.000    0.000
LGA    T    96_F      T    96_A    13.612     0    0.629   0.777    14.659    0.000    0.000
LGA    V    97_F      V    97_A    11.947     0    0.495   0.428    12.948    0.000    0.000
LGA    A    98_F      A    98_A     9.832     0    0.687   0.635    10.848    0.238    0.190
LGA    T    99_F      T    99_A     9.791     0    0.038   0.045    11.444    2.738    1.633
LGA    A   100_F      A   100_A     8.575     0    0.032   0.031     9.189    4.048    3.524
LGA    D   101_F      D   101_A     8.937     0    0.030   0.604    10.126    4.048    2.321
LGA    E   102_F      E   102_A     7.590     0    0.000   1.314    11.942   10.595    6.349
LGA    A   103_F      A   103_A     5.636     0    0.051   0.062     6.453   25.476   24.667
LGA    K   104_F      K   104_A     5.483     0    0.052   1.181    11.880   26.310   14.444
LGA    K   105_F      K   105_A     4.986     0    0.029   0.194     7.867   34.524   24.815
LGA    W   106_F      W   106_A     3.476     0    0.034   0.783     5.151   48.571   41.939
LGA    E   107_F      E   107_A     3.842     0    0.030   0.728     8.334   46.667   28.889
LGA    N   108_F      N   108_A     3.161     0    0.086   0.256     5.249   53.571   44.762
LGA    C   109_F      C   109_A     1.482     0    0.012   0.073     2.068   77.262   77.222
LGA    D   110_F      D   110_A     0.460     0    0.103   0.652     3.109   97.619   83.750
LGA    A   111_F      A   111_A     0.420     0    0.017   0.031     0.513   97.619   98.095
LGA    T   112_F      T   112_A     0.375     0    0.057   0.096     0.571  100.000   98.639
LGA    L   113_F      L   113_A     0.463     0    0.019   0.187     0.808  100.000   97.619
LGA    T   114_F      T   114_A     0.699     0    0.028   0.077     1.023   92.857   90.544
LGA    G   115_F      G   115_A     0.466     0    0.017   0.017     0.673   92.857   92.857
LGA    L   116_F      L   116_A     0.593     0    0.038   0.064     0.643   90.476   90.476
LGA    Q   117_F      Q   117_A     0.603     0    0.029   0.602     2.070   90.476   87.619
LGA    R   118_F      R   118_A     0.558     0    0.064   0.736     3.609   92.857   80.043
LGA    I   119_F      I   119_A     0.640     0    0.024   0.157     1.107   88.214   94.107
LGA    I   120_F      I   120_A     1.232     0    0.290   1.269     4.347   83.929   76.190
LGA    H   121_F      H   121_A     1.551     0    0.084   0.153     4.039   75.000   60.952
LGA    H   122_F      H   122_A     1.575     0    0.100   1.514     7.784   70.833   47.429
LGA    H   123_F      H   123_A     1.746     0    0.232   1.127     4.716   70.833   64.238
LGA    H   124_F      H   124_A     4.294     0    0.572   0.999     6.978   37.262   26.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               124
SUMMARY(RMSD_GDC):     6.818          6.782                  6.630           60.872   57.782

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     89    1.74    65.121    60.603     4.849

LGA_LOCAL      RMSD:   1.735  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.152  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   6.818  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.522083 * X  +  -0.038937 * Y  +   0.852005 * Z  + -60.425301
  Y_new =  -0.709454 * X  +   0.574294 * Y  +  -0.408487 * Z  +  13.766574
  Z_new =  -0.473396 * X  +  -0.817723 * Y  +  -0.327453 * Z  +  -1.033199 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.205209  0.493142 -1.951687   [DEG: -126.3491   28.2550 -111.8234 ]
ZXZ:  1.123730  1.904403 -2.616817   [DEG:   64.3850  109.1143 -149.9326 ]
 
# END of job
