
#######################################################
#                                                     #
#                        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       3.31     3.31
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      56_A - 104_A       1.99     3.91
  LCS_AVERAGE:     30.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      62_A - 80_A        0.96     3.90
  LCS_AVERAGE:     11.85

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      3   15  109      1    3   10   27   42   60   74   88   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     14   19  109      3    7   14   29   50   69   81   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     14   19  109     10   11   12   28   38   69   81   90   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     14   19  109     10   11   15   28   43   69   81   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     14   19  109      9   11   13   31   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     14   19  109     10   11   12   21   46   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     14   19  109     10   11   13   28   38   69   81   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     14   19  109     10   11   15   28   47   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     14   19  109     10   11   16   29   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     14   19  109     10   11   12   24   46   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     14   19  109     10   11   12   21   42   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     14   19  109     10   11   15   28   47   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     14   19  109     10   11   19   29   47   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     14   19  109      3    6   18   29   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     14   19  109      3    5   12   25   44   68   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A      3   19  109      3    3    4   24   37   53   73   86   96  101  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A      5   19  109      3   11   16   34   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A      5   19  109      4   18   20   37   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A      5   19  109      3   10   17   24   41   68   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A      5   19  109      3    7   20   33   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A      5   12  109      3    5   10   26   47   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A      3   12  109      3    3   12   22   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A      3   12  109      3    3   18   27   48   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A      8   14  109      3    7   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A      8   14  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A      8   14  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A      8   14  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A      8   14  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A      8   14  109      6   19   30   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A      8   21  109      6   15   25   36   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A      8   23  109      4   11   19   32   48   64   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A      7   23  109      4    6   17   32   48   64   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A      5   23  109      4   11   19   30   48   60   78   90   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A      9   23  109      4    6   18   24   39   61   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A      9   23  109      3   11   19   30   48   62   82   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     10   23  109      3    6   12   30   49   64   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     15   23  109      3   11   19   32   48   67   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     15   23  109      4   10   18   28   43   56   73   83   96  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     15   23  109      4   10   17   24   39   56   70   80   90  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     15   23  109      8   11   18   28   48   62   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     15   23  109      9   11   17   26   39   56   73   85   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     15   23  109      9   11   16   24   39   47   63   73   87   97  104  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     15   23  109      9   11   17   27   43   60   77   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     15   23  109      9   11   19   36   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     15   23  109      9   11   17   27   42   61   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     15   23  109      9   11   18   27   46   63   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     15   23  109      9   11   19   33   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     15   23  109      9   11   18   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     15   23  109      9   11   19   38   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     15   23  109      9   11   19   33   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     15   23  109      5   18   20   25   37   50   68   82   93  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A      5   23  109      3    6   16   33   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A      5   23  109      3    9   17   24   38   51   68   79   93  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A      5   22  109      3    5   10   17   20   29   42   54   66   79   89  104  108  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A      6   39  109      3    7   15   27   40   53   71   83   92  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A      6   49  109      3   18   20   33   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A      6   49  109      3    9   19   29   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A      6   49  109      4   18   20   33   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A      6   49  109      3    7   19   29   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A      6   49  109      3    5   20   34   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A      3   49  109      4    7   19   29   49   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     19   49  109      3   21   31   41   51   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     19   49  109      6   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     19   49  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     19   49  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     19   49  109      5   21   31   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     19   49  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     19   49  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     19   49  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     19   49  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     19   49  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     19   49  109      6   20   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     19   49  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     19   49  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     19   49  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     19   49  109      4   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     19   49  109      7   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     19   49  109      6   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     19   49  109      5   19   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     19   49  109      3    9   21   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     18   49  109      8   18   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     18   49  109     11   18   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     18   49  109      6   17   32   41   52   66   81   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     18   49  109      6   18   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     18   49  109     10   18   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     18   49  109     11   18   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     18   49  109     11   20   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     18   49  109     11   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     18   49  109     11   18   26   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     18   49  109     11   18   20   36   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     18   49  109     11   18   20   40   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     18   49  109     11   18   26   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     18   49  109     11   18   20   28   50   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     18   49  109     11   16   20   28   36   62   80   89   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     18   49  109     11   18   20   32   50   64   81   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     18   49  109     11   18   20   31   50   69   81   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     18   49  109      8    9   21   40   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     12   49  109      8    9   25   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     12   49  109      8    9   25   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     12   49  109      8   10   30   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     12   49  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     12   49  109      8    9   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     12   49  109      8   21   32   41   52   69   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     12   49  109      3    9   11   17   27   51   76   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     12   48  109      3    9   11   18   29   51   76   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     11   47  109      3    8   18   27   43   62   83   91   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A      6   46  109      3   11   21   29   48   61   78   89   97  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A      6    8  109      3    4    5   15   38   51   68   83   94  103  106  107  108  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A      6    7  109      3    4    5    7   12   17   26   54   66   84   97  105  108  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  47.56  (  11.85   30.84  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     11     21     32     41     52     69     83     91     97    103    106    107    108    109    109    109    109    109    109    109 
GDT PERCENT_AT  10.09  19.27  29.36  37.61  47.71  63.30  76.15  83.49  88.99  94.50  97.25  98.17  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.22   0.70   1.08   1.29   1.71   2.17   2.49   2.61   2.79   3.00   3.09   3.14   3.23   3.31   3.31   3.31   3.31   3.31   3.31   3.31
GDT RMS_ALL_AT   7.20   4.05   4.01   4.06   3.72   3.50   3.38   3.41   3.38   3.33   3.32   3.33   3.32   3.31   3.31   3.31   3.31   3.31   3.31   3.31

# Checking swapping
#   possible swapping detected:  Y    18_A      Y    18_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   108_A      Y   108_A
#   possible swapping detected:  E   109_A      E   109_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     5.515     0    0.102   0.102     7.594   32.143   32.143
LGA    P     2_A      P     2_A     3.070     0    0.653   0.605     5.465   53.571   44.286
LGA    I     3_A      I     3_A     4.108     0    0.090   0.767     8.141   41.786   30.714
LGA    I     4_A      I     4_A     3.570     0    0.051   1.358     7.483   50.238   41.190
LGA    E     5_A      E     5_A     2.268     0    0.062   1.315     7.432   64.762   42.434
LGA    N     6_A      N     6_A     3.334     0    0.064   0.745     8.093   51.786   33.750
LGA    C     7_A      C     7_A     3.713     0    0.022   0.096     5.269   48.333   42.778
LGA    A     8_A      A     8_A     2.796     0    0.030   0.055     3.328   60.952   58.762
LGA    A     9_A      A     9_A     2.801     0    0.052   0.051     3.662   59.048   55.905
LGA    F    10_A      F    10_A     3.488     0    0.065   1.089     4.188   50.000   58.182
LGA    I    11_A      I    11_A     3.110     0    0.040   0.707     5.218   55.357   44.226
LGA    E    12_A      E    12_A     2.891     0    0.195   0.844     5.724   57.262   42.593
LGA    K    13_A      K    13_A     3.214     0    0.046   1.619     7.433   48.571   45.291
LGA    T    14_A      T    14_A     2.654     0    0.744   0.941     5.393   71.310   60.884
LGA    M    15_A      M    15_A     3.373     0    0.390   1.128     8.633   38.571   24.583
LGA    S    16_A      S    16_A     5.082     0    0.738   0.854     6.956   37.500   29.444
LGA    K    17_A      K    17_A     2.116     0    0.526   0.759     3.183   61.190   60.635
LGA    Y    18_A      Y    18_A     1.976     0    0.091   1.459    12.186   59.881   26.151
LGA    A    19_A      A    19_A     3.338     0    0.077   0.125     5.879   57.381   50.190
LGA    I    20_A      I    20_A     2.376     0    0.106   0.884     8.052   52.619   36.786
LGA    T    21_A      T    21_A     2.919     0    0.146   0.995     5.699   60.952   45.374
LGA    L    22_A      L    22_A     2.963     0    0.047   1.103     9.216   61.071   35.595
LGA    S    23_A      S    23_A     2.378     0    0.674   0.818     4.196   66.905   59.127
LGA    D    24_A      D    24_A     2.712     0    0.361   1.213     7.223   61.429   41.190
LGA    G    25_A      G    25_A     2.364     0    0.023   0.023     2.754   62.857   62.857
LGA    T    26_A      T    26_A     2.128     0    0.144   1.102     4.708   68.810   62.313
LGA    I    27_A      I    27_A     1.678     0    0.043   1.254     3.563   72.857   66.190
LGA    L    28_A      L    28_A     2.170     0    0.091   0.962     3.355   64.762   63.988
LGA    K    29_A      K    29_A     2.114     0    0.114   0.895     7.951   68.810   45.767
LGA    S    30_A      S    30_A     2.015     0    0.083   0.583     3.258   61.190   63.889
LGA    T    31_A      T    31_A     3.772     0    0.206   1.180     4.819   43.810   45.578
LGA    I    32_A      I    32_A     3.906     0    0.034   0.701     6.960   48.452   39.881
LGA    K    33_A      K    33_A     5.088     0    0.133   0.980     9.828   26.310   15.820
LGA    N    34_A      N    34_A     3.767     0    0.684   0.623     7.667   40.357   29.702
LGA    E    35_A      E    35_A     4.622     0    0.040   1.301     5.916   33.571   41.481
LGA    T    36_A      T    36_A     3.642     0    0.054   1.139     4.193   41.786   42.517
LGA    L    37_A      L    37_A     3.075     0    0.045   0.956     4.424   45.357   49.583
LGA    K    38_A      K    38_A     5.743     0    0.075   1.010    12.950   20.833   10.952
LGA    K    39_A      K    39_A     6.269     0    0.155   1.082     6.770   18.333   19.735
LGA    T    40_A      T    40_A     3.949     0    0.081   1.051     4.569   38.810   48.571
LGA    F    41_A      F    41_A     5.217     0    0.114   0.460     6.003   26.310   24.545
LGA    P    42_A      P    42_A     6.825     0    0.049   0.313     9.427   18.333   12.381
LGA    I    43_A      I    43_A     4.687     0    0.046   1.123     5.825   41.190   35.774
LGA    L    44_A      L    44_A     1.601     0    0.034   1.383     3.829   71.071   62.619
LGA    K    45_A      K    45_A     3.786     0    0.045   0.824     6.390   50.119   34.762
LGA    N    46_A      N    46_A     3.557     0    0.054   1.076     7.698   55.714   41.369
LGA    L    47_A      L    47_A     2.144     0    0.028   0.913     5.460   66.786   53.869
LGA    L    48_A      L    48_A     2.435     0    0.058   1.419     6.776   65.238   52.321
LGA    K    49_A      K    49_A     1.923     0    0.092   0.782     6.832   77.143   55.661
LGA    D    50_A      D    50_A     2.402     0    0.273   0.406     4.918   59.881   48.571
LGA    Q    51_A      Q    51_A     5.820     0    0.457   1.026    13.480   31.786   14.709
LGA    I    52_A      I    52_A     2.996     0    0.090   0.146     7.705   36.310   28.155
LGA    P    53_A      P    53_A     5.907     0    0.091   0.097     6.149   26.786   26.395
LGA    T    54_A      T    54_A     8.994     0    0.573   1.249    12.915    9.762    5.578
LGA    G    55_A      G    55_A     5.843     0    0.598   0.598     7.425   25.000   25.000
LGA    S    56_A      S    56_A     2.594     0    0.069   0.682     5.564   44.167   38.254
LGA    S    57_A      S    57_A     2.974     0    0.119   0.630     6.507   59.167   46.032
LGA    F    58_A      F    58_A     2.831     0    0.050   1.367     9.619   52.143   24.545
LGA    F    59_A      F    59_A     2.516     0    0.176   1.019    12.372   59.167   25.974
LGA    K    60_A      K    60_A     2.587     0    0.398   0.910     7.544   69.405   41.640
LGA    L    61_A      L    61_A     2.933     0    0.347   0.449    10.378   57.619   32.976
LGA    P    62_A      P    62_A     2.554     0    0.551   0.502     4.645   71.071   58.571
LGA    V    63_A      V    63_A     2.125     0    0.085   0.170     2.431   64.762   64.762
LGA    V    64_A      V    64_A     1.968     0    0.064   0.972     3.532   68.810   67.551
LGA    F    65_A      F    65_A     1.545     0    0.031   1.374     6.583   72.857   54.935
LGA    F    66_A      F    66_A     1.864     0    0.151   0.275     3.988   75.000   60.519
LGA    R    67_A      R    67_A     1.478     0    0.206   1.354     7.103   79.286   60.087
LGA    V    68_A      V    68_A     1.271     0    0.064   1.158     3.656   83.690   77.347
LGA    T    69_A      T    69_A     1.369     0    0.114   1.061     4.455   81.429   70.408
LGA    D    70_A      D    70_A     1.299     0    0.630   0.533     3.603   69.762   76.726
LGA    N    71_A      N    71_A     1.631     0    0.053   0.994     5.813   72.857   56.786
LGA    V    72_A      V    72_A     1.782     0    0.089   1.198     3.827   72.857   67.483
LGA    I    73_A      I    73_A     1.624     0    0.057   0.622     2.293   72.857   71.845
LGA    V    74_A      V    74_A     1.617     0    0.047   0.139     1.642   72.857   74.082
LGA    I    75_A      I    75_A     1.758     0    0.025   1.280     3.510   72.857   65.238
LGA    L    76_A      L    76_A     1.661     0    0.053   0.885     3.598   68.929   64.167
LGA    L    77_A      L    77_A     1.904     0    0.072   0.275     3.615   77.143   65.476
LGA    T    78_A      T    78_A     0.536     0    0.089   0.110     1.190   88.214   87.891
LGA    N    79_A      N    79_A     0.757     0    0.462   0.485     2.753   86.071   77.560
LGA    E    80_A      E    80_A     1.176     0    0.120   0.362     4.744   79.286   60.000
LGA    K    81_A      K    81_A     2.813     0    0.080   0.983     5.283   62.976   45.661
LGA    E    82_A      E    82_A     2.737     0    0.057   0.940     6.883   59.048   41.376
LGA    N    83_A      N    83_A     3.349     0    0.072   1.046     5.813   53.571   40.714
LGA    I    84_A      I    84_A     2.657     0    0.082   0.129     3.733   62.976   57.440
LGA    I    85_A      I    85_A     1.686     0    0.027   1.258     3.958   72.976   69.226
LGA    L    86_A      L    86_A     1.646     0    0.087   1.423     4.673   77.143   64.881
LGA    S    87_A      S    87_A     1.234     0    0.042   0.114     2.186   81.429   77.222
LGA    M    88_A      M    88_A     1.135     0    0.034   1.781     6.982   81.429   62.857
LGA    F    89_A      F    89_A     1.707     0    0.054   0.230     3.399   72.976   64.416
LGA    E    90_A      E    90_A     2.194     0    0.036   0.785     3.956   64.881   57.566
LGA    L    91_A      L    91_A     2.169     0    0.034   0.952     4.053   62.857   61.369
LGA    F    92_A      F    92_A     2.000     0    0.030   0.195     2.717   64.881   66.364
LGA    S    93_A      S    93_A     3.324     0    0.028   0.646     4.228   46.905   47.937
LGA    T    94_A      T    94_A     4.200     0    0.043   0.101     5.223   35.952   35.782
LGA    Q    95_A      Q    95_A     3.746     0    0.031   0.884     4.911   41.786   42.275
LGA    F    96_A      F    96_A     3.777     0    0.157   1.356    10.645   46.667   24.026
LGA    A    97_A      A    97_A     2.847     0    0.046   0.057     3.254   59.167   58.762
LGA    E    98_A      E    98_A     2.271     0    0.058   1.217     5.670   66.786   50.159
LGA    K    99_A      K    99_A     2.847     0    0.048   0.998     6.216   60.952   41.005
LGA    L   100_A      L   100_A     2.667     0    0.054   1.405     7.102   60.952   42.798
LGA    A   101_A      A   101_A     1.725     0    0.083   0.083     1.872   72.857   72.857
LGA    L   102_A      L   102_A     1.521     0    0.052   0.922     4.658   79.286   69.881
LGA    E   103_A      E   103_A     1.765     0    0.091   0.663     3.216   66.905   65.079
LGA    Y   104_A      Y   104_A     3.672     0    0.386   0.385     5.447   45.238   34.286
LGA    P   105_A      P   105_A     3.722     0    0.077   0.144     3.735   48.452   46.259
LGA    R   106_A      R   106_A     3.813     0    0.043   0.810     6.845   43.333   30.519
LGA    T   107_A      T   107_A     5.331     0    0.201   0.252     6.101   25.476   24.422
LGA    Y   108_A      Y   108_A     6.427     0    0.623   1.113    15.217   17.262    7.421
LGA    E   109_A      E   109_A     9.319     0    0.647   1.376    14.039    1.071    0.476

# 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):     3.314          3.252                  4.495           56.233   47.400

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0     91    2.61    60.092    57.794     3.353

LGA_LOCAL      RMSD:   2.614  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.411  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   3.314  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.655733 * X  +  -0.721513 * Y  +   0.222338 * Z  +   9.554635
  Y_new =  -0.708780 * X  +  -0.486849 * Y  +   0.510499 * Z  +   9.147431
  Z_new =  -0.260086 * X  +  -0.492339 * Y  +  -0.830637 * Z  +  67.561066 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.824255  0.263112 -2.606539   [DEG:  -47.2263   15.0752 -149.3437 ]
ZXZ:  2.730837  2.551046 -2.655588   [DEG:  156.4654  146.1642 -152.1540 ]
 
# END of job
