
#######################################################
#                                                     #
#                        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  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , 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:   109       1_A - 109_A       4.64     4.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      83_A - 105_A       1.98     5.66
  LONGEST_CONTINUOUS_SEGMENT:    23      84_A - 106_A       1.73     5.36
  LCS_AVERAGE:     16.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      84_A - 100_A       0.95     5.52
  LCS_AVERAGE:      8.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     G     1_A     G     1_A     14   20  109      5   13   20   32   42   57   65   69   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     P     2_A     P     2_A     14   20  109      8   13   16   31   45   58   65   69   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I     3_A     I     3_A     14   20  109      7   13   16   22   38   52   65   68   80   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I     4_A     I     4_A     14   20  109      8   13   16   32   40   57   65   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     E     5_A     E     5_A     14   20  109      8   14   20   30   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     N     6_A     N     6_A     14   20  109      8   13   16   24   45   58   65   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     C     7_A     C     7_A     14   20  109      8   13   20   32   43   58   65   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     A     8_A     A     8_A     14   20  109      8   13   24   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     A     9_A     A     9_A     14   20  109      8   13   16   28   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    10_A     F    10_A     14   20  109      8   13   16   27   44   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    11_A     I    11_A     14   20  109      4   14   21   33   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     E    12_A     E    12_A     14   20  109      8   13   21   34   42   52   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    13_A     K    13_A     14   20  109      5   13   16   20   33   44   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    14_A     T    14_A     14   20  109      3    6    9   18   20   37   53   66   77   85   92   97  101  104  104  105  106  107  107  107 
LCS_GDT     M    15_A     M    15_A      8   20  109      3    7   13   24   36   50   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     S    16_A     S    16_A      3   20  109      3    3    4    5   27   41   54   65   72   83   88   95  101  104  104  105  106  107  107  107 
LCS_GDT     K    17_A     K    17_A      5   20  109      4    6   15   28   42   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     Y    18_A     Y    18_A      5   20  109      7   14   21   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     A    19_A     A    19_A      5   20  109      4    7   13   20   36   54   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    20_A     I    20_A      5   20  109      4    8   20   32   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    21_A     T    21_A      5   11  109      3    6   13   20   37   57   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    22_A     L    22_A      4   11  109      3    7   15   29   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     S    23_A     S    23_A      4   11  109      3    3   16   30   42   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     D    24_A     D    24_A      7   11  109      3    7   17   29   45   58   65   69   80   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     G    25_A     G    25_A      7   11  109      6   12   20   32   45   58   65   69   80   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    26_A     T    26_A      7   11  109      7   12   20   32   45   58   65   69   80   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    27_A     I    27_A      7   11  109      7   12   20   32   45   58   65   69   81   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    28_A     L    28_A      7   11  109      7   12   17   31   45   58   65   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    29_A     K    29_A      7   11  109      6   12   17   27   45   58   65   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     S    30_A     S    30_A      7   11  109      3    9   17   27   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    31_A     T    31_A      7   11  109      3    7   15   23   33   45   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    32_A     I    32_A      4   10  109      3    7   13   18   33   45   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    33_A     K    33_A      4   21  109      3   10   13   17   22   36   47   62   69   75   85   93  101  104  104  105  106  107  107  107 
LCS_GDT     N    34_A     N    34_A      4   21  109      3    4    4    6   17   21   27   39   52   64   79   85   93  101  104  105  106  107  107  107 
LCS_GDT     E    35_A     E    35_A      4   21  109      3    4   12   21   31   41   52   62   75   83   90   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    36_A     T    36_A      7   21  109      9   17   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    37_A     L    37_A      7   21  109      4   17   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    38_A     K    38_A      7   21  109      4   17   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    39_A     K    39_A     13   21  109      9   17   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    40_A     T    40_A     13   21  109      8   17   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    41_A     F    41_A     13   21  109      3   12   23   31   39   49   59   73   81   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     P    42_A     P    42_A     13   21  109      8   12   23   31   36   49   55   70   79   87   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    43_A     I    43_A     13   21  109      8   16   26   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    44_A     L    44_A     13   21  109      8   17   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    45_A     K    45_A     13   21  109      8   12   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     N    46_A     N    46_A     13   21  109      8   17   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    47_A     L    47_A     13   21  109      8   15   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    48_A     L    48_A     13   21  109      8   12   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    49_A     K    49_A     13   21  109      8   12   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     D    50_A     D    50_A     13   21  109      8   15   28   34   42   49   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     Q    51_A     Q    51_A     13   21  109      3   12   13   25   39   48   61   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    52_A     I    52_A      4   21  109      3    7   13   24   36   50   64   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     P    53_A     P    53_A      4   21  109      3    5    9   20   31   41   58   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    54_A     T    54_A      4   17  109      3    4    6   10   13   23   29   49   54   67   75   82   93   98  102  103  106  107  107  107 
LCS_GDT     G    55_A     G    55_A      6   17  109      3    6    7   16   18   23   26   34   45   62   72   80   86   95  100  103  106  107  107  107 
LCS_GDT     S    56_A     S    56_A      6    8  109      3    7   10   14   19   29   37   53   68   79   88   97  101  104  104  105  106  107  107  107 
LCS_GDT     S    57_A     S    57_A      6    8  109      4    6   13   16   19   29   37   52   66   79   87   95  100  104  104  105  106  107  107  107 
LCS_GDT     F    58_A     F    58_A      6    8  109      4    6    7   10   20   23   37   53   69   79   88   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    59_A     F    59_A      6    8  109      4   12   16   17   19   29   38   57   69   81   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    60_A     K    60_A      6    8  109      4   12   16   17   18   29   44   61   79   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    61_A     L    61_A      3    9  109      3   12   16   17   25   38   59   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     P    62_A     P    62_A      6   18  109      8   17   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     V    63_A     V    63_A      6   18  109      3    5   13   20   37   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     V    64_A     V    64_A      6   18  109      6   14   21   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    65_A     F    65_A      6   18  109      3    5    8   23   41   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    66_A     F    66_A      6   18  109      3    7   17   28   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     R    67_A     R    67_A      6   18  109      3    5   14   26   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     V    68_A     V    68_A      6   18  109      3    6   11   20   33   45   62   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    69_A     T    69_A     10   18  109      4   11   17   27   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     D    70_A     D    70_A     10   18  109      3   12   20   32   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     N    71_A     N    71_A     10   18  109      7   12   17   27   45   58   65   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     V    72_A     V    72_A     10   18  109      6   12   19   32   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    73_A     I    73_A     10   18  109      7   12   20   32   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     V    74_A     V    74_A     10   18  109      7   12   19   32   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    75_A     I    75_A     10   18  109      7   12   17   28   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    76_A     L    76_A     10   18  109      7   12   17   27   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    77_A     L    77_A     10   18  109      4   12   16   27   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    78_A     T    78_A     10   18  109      7   12   16   27   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     N    79_A     N    79_A     10   18  109      4   11   17   28   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     E    80_A     E    80_A      4   17  109      3    4   12   26   43   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    81_A     K    81_A      3   13  109      3    6    8   20   31   44   59   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     E    82_A     E    82_A      3    7  109      3    3    4    5   24   31   48   54   64   85   93   97  101  104  104  105  106  107  107  107 
LCS_GDT     N    83_A     N    83_A      3   23  109      3    3    9   19   31   44   51   66   77   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    84_A     I    84_A     17   23  109      4   17   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     I    85_A     I    85_A     17   23  109      7   17   27   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    86_A     L    86_A     17   23  109      9   17   28   34   43   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     S    87_A     S    87_A     17   23  109      9   17   28   34   42   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     M    88_A     M    88_A     17   23  109      9   17   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    89_A     F    89_A     17   23  109      9   17   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     E    90_A     E    90_A     17   23  109      9   17   28   34   43   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L    91_A     L    91_A     17   23  109      6   17   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    92_A     F    92_A     17   23  109      3   14   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     S    93_A     S    93_A     17   23  109      4   16   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     T    94_A     T    94_A     17   23  109      8   17   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     Q    95_A     Q    95_A     17   23  109      4   17   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     F    96_A     F    96_A     17   23  109      4   12   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     A    97_A     A    97_A     17   23  109      3   14   28   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     E    98_A     E    98_A     17   23  109      5   10   23   32   41   57   65   68   80   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     K    99_A     K    99_A     17   23  109      9   17   28   34   42   57   65   71   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L   100_A     L   100_A     17   23  109      5   16   28   34   43   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     A   101_A     A   101_A      9   23  109      5    9   20   32   43   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     L   102_A     L   102_A      9   23  109      5   15   24   34   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     E   103_A     E   103_A      9   23  109      5   14   21   33   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     Y   104_A     Y   104_A      9   23  109      5    8   19   32   45   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     P   105_A     P   105_A      4   23  109      4   14   21   33   42   58   65   73   82   88   94   97  101  104  104  105  106  107  107  107 
LCS_GDT     R   106_A     R   106_A      4   23  109      9   17   27   32   39   49   53   62   73   82   88   94   98  104  104  105  106  107  107  107 
LCS_GDT     T   107_A     T   107_A      4    5  109      4    4    4    6   14   22   42   55   66   75   87   91   98  104  104  105  106  107  107  107 
LCS_GDT     Y   108_A     Y   108_A      4    5  109      4    4    4    4    6    7    7   10   13   16   22   30   34   42   58   89   97   97  100  103 
LCS_GDT     E   109_A     E   109_A      3    3  109      3    3    3    4    6    6    6    7    8    8   10   14   19   24   24   28   77   79   92   99 
LCS_AVERAGE  LCS_A:  41.87  (   8.94   16.67  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT      9     17     28     34     45     58     65     73     82     88     94     97    101    104    104    105    106    107    107    107 
GDT PERCENT_AT   8.26  15.60  25.69  31.19  41.28  53.21  59.63  66.97  75.23  80.73  86.24  88.99  92.66  95.41  95.41  96.33  97.25  98.17  98.17  98.17
GDT RMS_LOCAL    0.28   0.60   1.06   1.26   1.95   2.17   2.34   2.77   3.04   3.23   3.44   3.56   3.75   3.90   3.90   3.97   4.07   4.17   4.17   4.17
GDT RMS_ALL_AT   5.68   5.65   5.21   5.12   6.07   5.92   5.87   4.72   4.72   4.83   4.76   4.76   4.71   4.67   4.67   4.66   4.66   4.66   4.66   4.66

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  F    10_A      F    10_A
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    65_A      F    65_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    70_A      D    70_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  Y   108_A      Y   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     5.518     0    0.443   0.443     5.518   29.048   29.048
LGA    P     2_A      P     2_A     5.117     0    0.061   0.228     5.990   27.500   24.898
LGA    I     3_A      I     3_A     5.864     0    0.062   0.697     8.637   23.810   16.845
LGA    I     4_A      I     4_A     4.840     0    0.064   1.346     7.309   36.071   30.417
LGA    E     5_A      E     5_A     2.799     0    0.047   0.592     3.497   53.571   63.439
LGA    N     6_A      N     6_A     4.345     0    0.037   0.330     5.960   38.690   32.500
LGA    C     7_A      C     7_A     4.612     0    0.051   0.081     6.366   37.381   32.143
LGA    A     8_A      A     8_A     2.311     0    0.040   0.068     3.035   67.262   68.381
LGA    A     9_A      A     9_A     1.715     0    0.059   0.057     2.443   68.810   68.000
LGA    F    10_A      F    10_A     3.540     0    0.043   0.221     6.631   50.119   32.641
LGA    I    11_A      I    11_A     2.627     0    0.036   1.106     6.248   67.143   50.655
LGA    E    12_A      E    12_A     0.800     0    0.154   0.940     5.389   77.738   56.667
LGA    K    13_A      K    13_A     3.465     0    0.023   1.127     6.707   44.524   35.503
LGA    T    14_A      T    14_A     4.862     0    0.771   0.691     7.147   38.810   31.156
LGA    M    15_A      M    15_A     2.661     0    0.203   1.461     5.804   39.762   39.702
LGA    S    16_A      S    16_A     5.799     0    0.716   0.842     8.678   33.214   23.413
LGA    K    17_A      K    17_A     1.963     0    0.587   1.312     3.257   69.524   68.995
LGA    Y    18_A      Y    18_A     1.724     0    0.101   1.432    11.781   58.452   25.357
LGA    A    19_A      A    19_A     2.566     0    0.042   0.084     4.704   75.476   66.667
LGA    I    20_A      I    20_A     2.318     0    0.120   0.630     8.276   51.310   33.869
LGA    T    21_A      T    21_A     3.363     0    0.111   0.198     7.017   71.548   49.116
LGA    L    22_A      L    22_A     2.589     0    0.038   0.872     8.532   45.476   30.060
LGA    S    23_A      S    23_A     3.486     0    0.761   0.668     3.789   52.024   51.429
LGA    D    24_A      D    24_A     6.318     0    0.475   0.385     9.769   17.619   10.714
LGA    G    25_A      G    25_A     6.454     0    0.062   0.062     6.866   16.310   16.310
LGA    T    26_A      T    26_A     6.384     0    0.033   0.043     6.831   19.286   17.823
LGA    I    27_A      I    27_A     5.801     0    0.036   0.110     6.510   20.357   18.810
LGA    L    28_A      L    28_A     5.223     0    0.105   0.120     5.907   25.000   30.476
LGA    K    29_A      K    29_A     5.268     0    0.137   0.614     9.332   30.238   21.005
LGA    S    30_A      S    30_A     4.074     0    0.064   0.704     5.371   37.143   36.349
LGA    T    31_A      T    31_A     4.329     0    0.640   0.982     6.660   33.214   31.769
LGA    I    32_A      I    32_A     2.963     0    0.191   1.203     4.549   47.262   57.560
LGA    K    33_A      K    33_A     6.279     0    0.202   1.260     8.999   17.262   11.534
LGA    N    34_A      N    34_A     8.296     0    0.658   1.124    13.277    9.524    4.762
LGA    E    35_A      E    35_A     5.553     0    0.024   1.105     7.859   30.357   20.582
LGA    T    36_A      T    36_A     1.838     0    0.451   0.460     3.307   67.143   61.837
LGA    L    37_A      L    37_A     2.318     0    0.072   1.413     6.480   64.762   48.869
LGA    K    38_A      K    38_A     2.988     0    0.139   1.105     4.522   60.952   50.635
LGA    K    39_A      K    39_A     1.286     0    0.199   0.440     4.035   72.976   68.360
LGA    T    40_A      T    40_A     2.368     0    0.130   0.233     3.561   60.952   59.592
LGA    F    41_A      F    41_A     3.895     0    0.118   0.784     4.871   41.905   38.961
LGA    P    42_A      P    42_A     4.391     0    0.054   0.329     5.564   37.143   33.265
LGA    I    43_A      I    43_A     3.482     0    0.041   1.167     5.046   48.333   52.976
LGA    L    44_A      L    44_A     2.603     0    0.034   0.133     2.854   57.143   59.048
LGA    K    45_A      K    45_A     3.186     0    0.031   0.291     5.251   51.786   43.915
LGA    N    46_A      N    46_A     3.339     0    0.054   0.916     7.438   50.000   37.857
LGA    L    47_A      L    47_A     2.528     0    0.049   0.943     3.560   60.952   57.500
LGA    L    48_A      L    48_A     2.469     0    0.049   0.862     3.581   60.952   59.226
LGA    K    49_A      K    49_A     2.731     0    0.068   1.020     5.525   57.143   50.899
LGA    D    50_A      D    50_A     2.162     0    0.325   1.221     4.333   59.405   58.690
LGA    Q    51_A      Q    51_A     2.953     0    0.417   1.356     8.647   71.071   36.772
LGA    I    52_A      I    52_A     2.539     0    0.223   0.694     8.879   54.286   34.107
LGA    P    53_A      P    53_A     4.377     0    0.072   0.109     7.655   26.905   43.401
LGA    T    54_A      T    54_A    10.525     0    0.217   0.952    14.220    1.905    1.088
LGA    G    55_A      G    55_A    11.162     0    0.699   0.699    11.359    0.714    0.714
LGA    S    56_A      S    56_A     7.763     0    0.064   0.550     9.475    4.048    3.968
LGA    S    57_A      S    57_A     7.703     0    0.076   0.626    10.304    9.286    6.984
LGA    F    58_A      F    58_A     7.298     0    0.025   0.113    10.589   10.119    4.416
LGA    F    59_A      F    59_A     6.651     0    0.183   1.186    14.343   11.786    5.238
LGA    K    60_A      K    60_A     6.197     0    0.489   1.338     7.669   25.714   17.407
LGA    L    61_A      L    61_A     4.661     0    0.620   0.526     9.983   40.000   23.690
LGA    P    62_A      P    62_A     0.499     0    0.721   0.572     4.022   72.857   76.599
LGA    V    63_A      V    63_A     3.664     0    0.077   0.097     7.956   59.524   38.912
LGA    V    64_A      V    64_A     1.235     0    0.071   0.946     5.451   58.690   47.211
LGA    F    65_A      F    65_A     3.484     0    0.086   1.233    11.903   67.143   27.706
LGA    F    66_A      F    66_A     1.565     0    0.145   1.258     9.387   51.548   28.745
LGA    R    67_A      R    67_A     3.744     0    0.304   1.212    14.841   61.429   25.628
LGA    V    68_A      V    68_A     3.662     0    0.644   0.948     8.391   43.452   29.388
LGA    T    69_A      T    69_A     3.450     0    0.133   1.103     6.671   50.119   43.197
LGA    D    70_A      D    70_A     4.366     0    0.569   1.157     6.649   35.952   31.488
LGA    N    71_A      N    71_A     4.807     0    0.177   0.238     5.129   32.857   33.869
LGA    V    72_A      V    72_A     3.761     0    0.079   0.924     4.791   43.452   45.714
LGA    I    73_A      I    73_A     3.616     0    0.021   1.437     5.480   45.000   50.476
LGA    V    74_A      V    74_A     3.322     0    0.060   0.109     3.430   50.000   50.000
LGA    I    75_A      I    75_A     3.684     0    0.075   1.379     6.339   48.333   46.190
LGA    L    76_A      L    76_A     2.932     0    0.038   0.104     3.471   51.786   56.369
LGA    L    77_A      L    77_A     3.369     0    0.094   1.382     5.695   50.000   51.548
LGA    T    78_A      T    78_A     2.444     0    0.041   0.045     2.778   64.881   67.143
LGA    N    79_A      N    79_A     2.332     0    0.725   1.254     5.618   61.071   50.417
LGA    E    80_A      E    80_A     3.125     0    0.608   1.142     8.006   61.071   33.439
LGA    K    81_A      K    81_A     5.714     0    0.336   1.040     9.002   21.429   12.116
LGA    E    82_A      E    82_A     7.369     0    0.692   1.027     8.518   13.452    9.788
LGA    N    83_A      N    83_A     7.050     0    0.148   0.943    10.670   22.143   12.619
LGA    I    84_A      I    84_A     1.231     0    0.660   0.917     4.884   75.357   58.095
LGA    I    85_A      I    85_A     1.396     0    0.043   1.028     3.347   81.429   68.571
LGA    L    86_A      L    86_A     1.319     0    0.069   0.878     2.306   79.286   75.060
LGA    S    87_A      S    87_A     1.282     0    0.044   0.756     3.272   81.429   76.190
LGA    M    88_A      M    88_A     0.819     0    0.034   1.076     3.964   88.214   73.393
LGA    F    89_A      F    89_A     1.369     0    0.083   0.712     2.120   75.119   76.104
LGA    E    90_A      E    90_A     1.917     0    0.034   0.864     3.197   70.833   62.487
LGA    L    91_A      L    91_A     0.737     0    0.079   0.097     1.131   83.690   88.274
LGA    F    92_A      F    92_A     2.205     0    0.103   1.408     9.687   62.976   34.719
LGA    S    93_A      S    93_A     3.020     0    0.071   0.136     3.433   51.786   52.381
LGA    T    94_A      T    94_A     3.076     0    0.043   0.084     3.490   51.786   51.020
LGA    Q    95_A      Q    95_A     3.007     0    0.057   0.978     5.862   51.786   46.349
LGA    F    96_A      F    96_A     3.034     0    0.192   1.192     8.014   51.786   36.926
LGA    A    97_A      A    97_A     3.066     0    0.036   0.052     3.881   48.452   48.762
LGA    E    98_A      E    98_A     5.190     0    0.039   0.941     9.503   31.548   18.095
LGA    K    99_A      K    99_A     4.375     0    0.117   1.075     5.671   40.476   32.698
LGA    L   100_A      L   100_A     2.525     0    0.051   0.959     4.605   61.190   57.857
LGA    A   101_A      A   101_A     2.869     0    0.071   0.071     3.872   62.976   59.048
LGA    L   102_A      L   102_A     1.854     0    0.040   1.421     6.134   75.119   53.393
LGA    E   103_A      E   103_A     1.744     0    0.029   1.158     2.311   72.976   76.878
LGA    Y   104_A      Y   104_A     1.463     0    0.512   0.533     8.425   83.810   44.127
LGA    P   105_A      P   105_A     1.536     0    0.673   0.710     2.365   75.238   76.667
LGA    R   106_A      R   106_A     6.174     0    0.047   1.045    18.474   18.929    7.013
LGA    T   107_A      T   107_A     7.220     0    0.146   1.196    10.061    6.905   13.197
LGA    Y   108_A      Y   108_A    14.513     0    0.284   1.103    21.230    0.000    0.000
LGA    E   109_A      E   109_A    16.273     0    0.151   1.251    18.336    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     4.638          4.578                  5.792           46.950   39.944

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0     73    2.77    52.523    47.819     2.546

LGA_LOCAL      RMSD:   2.767  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.716  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   4.638  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.332328 * X  +  -0.351458 * Y  +  -0.875234 * Z  + -13.791032
  Y_new =   0.285157 * X  +   0.921989 * Y  +  -0.261958 * Z  +  11.202801
  Z_new =   0.899024 * X  +  -0.162524 * Y  +   0.406624 * Z  +  -3.312926 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.709154 -1.117535 -0.380239   [DEG:   40.6315  -64.0300  -21.7861 ]
ZXZ: -1.279982  1.152041  1.749643   [DEG:  -73.3376   66.0071  100.2471 ]
 
# END of job
