
#######################################################
#                                                     #
#                        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       3.36     3.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      59_A - 103_A       1.98     4.35
  LCS_AVERAGE:     27.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      62_A - 79_A        0.86     4.42
  LCS_AVERAGE:     11.46

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     15   18  109     13   13   16   30   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     15   18  109     13   13   14   27   47   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     15   18  109     13   13   17   21   34   64   78   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     15   18  109     13   13   14   25   46   66   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     15   18  109     13   13   16   28   52   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     15   18  109     13   13   14   21   45   67   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     15   18  109     13   13   14   19   36   64   78   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     15   18  109     13   13   14   25   48   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     15   18  109     13   13   16   28   52   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     15   18  109     13   13   14   25   46   67   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     15   18  109     13   13   14   18   31   66   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     15   18  109     13   13   14   25   52   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     15   18  109     13   13   16   30   52   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     15   18  109      3    5   17   30   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     15   18  109      3   10   14   26   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A      3   18  109      3    3    4    6   36   61   75   88   97  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A      5   18  109      4    9   16   31   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A      5   18  109      4    8   19   33   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A      5   13  109      4    6   15   21   40   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A      5   13  109      4    8   13   30   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A      5   12  109      3    5   12   24   45   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A      3   12  109      3    3    5   20   49   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A      3   12  109      3    5   14   28   51   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A      8   11  109      3    5   18   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A      8   11  109      6   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A      8   11  109      5    9   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A      8   11  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A      8   11  109      8   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A      8   11  109      5   15   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A      8   11  109      5   11   17   33   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A      8   11  109      3    9   16   28   44   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A      8   11  109      0    5   15   27   40   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A      4    8  109      2    3    4   13   15   21   27   33   48   77   96  105  107  108  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A      4    6  109      1    3    4    6   10   12   22   24   40   51   75   97  107  108  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A      3   19  109      3    4   15   19   27   37   53   73   85   99  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     11   20  109      4   11   16   30   48   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     11   20  109      4    9   16   30   48   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     11   20  109      4    7   15   22   36   56   76   89   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     13   20  109      4    9   15   21   31   48   63   87   97  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     13   20  109      7   12   16   27   48   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     13   20  109      4   12   15   21   36   49   70   89   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     13   20  109      6   12   15   21   27   37   58   72   91   97  102  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     13   20  109      4   12   15   22   36   52   76   91   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     13   20  109      7   12   17   36   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     13   20  109      7   12   15   21   39   64   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     13   20  109      7   12   15   27   40   64   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     13   20  109      7   12   16   26   50   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     13   20  109      7   12   15   35   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     13   20  109      7   12   15   24   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     13   20  109      7   12   16   28   51   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     13   20  109      5   12   15   23   30   48   65   89   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A      6   20  109      3    9   19   34   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A      6   20  109      3    8   15   21   30   42   58   79   91  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A      6   20  109      3    5   10   18   23   34   46   56   67   84  104  106  107  108  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A      6   20  109      3    5   10   20   31   44   58   79   92  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A      6   38  109      5   13   20   34   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A      6   38  109      5    8   20   29   50   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A      6   44  109      5    5    6   17   36   58   78   91   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A      6   45  109      5    5   17   30   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A      6   45  109      5   13   20   24   37   58   78   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A      7   45  109      3    9   25   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     18   45  109      3   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     18   45  109      6   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     18   45  109      4   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     18   45  109      4   14   28   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     18   45  109      5   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     18   45  109      5   19   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     18   45  109      8   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     18   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     18   45  109      6   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     18   45  109      6   17   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A      6   45  109      3    4   10   25   46   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     17   45  109      8   14   20   39   50   64   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     17   45  109      8   14   20   39   50   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     17   45  109      8   14   25   39   49   61   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     17   45  109      8   14   28   39   50   67   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     17   45  109      8   14   28   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     17   45  109      9   14   26   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     17   45  109      8   16   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     17   45  109      9   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     17   45  109      9   14   25   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     17   45  109      9   14   20   36   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     17   45  109      9   14   20   37   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     17   45  109      9   14   26   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     17   45  109      9   14   19   27   42   61   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     17   45  109      9   14   18   23   34   49   67   90   98  101  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     17   45  109      9   14   20   27   46   58   78   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     17   45  109      8   14   20   27   46   58   78   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     17   45  109      6   10   20   37   52   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     13   45  109      6    9   26   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     13   45  109      6    9   25   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     13   45  109      6   19   28   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     13   45  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     13   45  109      6   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     13   45  109      6   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     13   44  109      6    9   14   22   48   62   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     13   26  109      3    9   14   21   36   53   77   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     13   26  109      3    9   14   32   48   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     12   26  109      3    9   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A      6   26  109     11   23   29   39   53   68   80   92   98  102  105  106  107  108  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A      3   13  109      3    4   20   26   39   47   60   76   91  100  105  106  107  108  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  46.20  (  11.46   27.14  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     13     23     29     39     53     68     80     92     98    102    105    106    107    108    109    109    109    109    109    109 
GDT PERCENT_AT  11.93  21.10  26.61  35.78  48.62  62.39  73.39  84.40  89.91  93.58  96.33  97.25  98.17  99.08 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.75   0.96   1.32   1.87   2.19   2.42   2.65   2.79   2.95   3.08   3.12   3.18   3.27   3.36   3.36   3.36   3.36   3.36   3.36
GDT RMS_ALL_AT  14.08   4.15   4.10   4.14   3.64   3.47   3.45   3.42   3.41   3.38   3.38   3.38   3.38   3.37   3.36   3.36   3.36   3.36   3.36   3.36

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  F    10_A      F    10_A
#   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:  F    59_A      F    59_A
#   possible swapping detected:  F    96_A      F    96_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  Y   104_A      Y   104_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     2.223     0    0.042   0.042     2.806   62.857   62.857
LGA    P     2_A      P     2_A     3.017     0    0.097   0.216     3.769   53.571   52.109
LGA    I     3_A      I     3_A     3.798     0    0.040   1.015     8.180   46.667   31.786
LGA    I     4_A      I     4_A     3.449     0    0.069   1.394     8.003   53.571   41.548
LGA    E     5_A      E     5_A     2.706     0    0.044   0.856     6.433   59.048   42.116
LGA    N     6_A      N     6_A     3.448     0    0.060   1.266     8.261   51.786   32.679
LGA    C     7_A      C     7_A     3.695     0    0.019   0.066     5.251   48.333   42.778
LGA    A     8_A      A     8_A     2.771     0    0.023   0.051     3.319   60.952   58.762
LGA    A     9_A      A     9_A     2.713     0    0.048   0.050     3.625   59.048   55.905
LGA    F    10_A      F    10_A     3.480     0    0.028   0.243     7.293   51.786   31.558
LGA    I    11_A      I    11_A     3.249     0    0.027   1.056     7.596   53.571   37.917
LGA    E    12_A      E    12_A     2.653     0    0.155   0.186     5.604   57.262   44.603
LGA    K    13_A      K    13_A     2.832     0    0.037   1.086     3.777   55.595   54.868
LGA    T    14_A      T    14_A     2.715     0    0.101   0.099     4.676   64.881   56.871
LGA    M    15_A      M    15_A     2.466     0    0.437   1.122     8.406   52.262   32.738
LGA    S    16_A      S    16_A     4.806     0    0.723   0.622     6.587   42.024   33.095
LGA    K    17_A      K    17_A     2.251     0    0.582   1.100     3.174   62.976   60.688
LGA    Y    18_A      Y    18_A     1.853     0    0.074   1.471    12.474   59.881   26.905
LGA    A    19_A      A    19_A     3.398     0    0.071   0.116     5.933   57.381   50.190
LGA    I    20_A      I    20_A     2.327     0    0.070   0.143     8.784   52.619   36.548
LGA    T    21_A      T    21_A     3.221     0    0.181   0.259     7.007   59.167   41.429
LGA    L    22_A      L    22_A     3.139     0    0.054   1.083     9.385   57.500   33.452
LGA    S    23_A      S    23_A     2.454     0    0.675   0.821     4.379   64.881   57.778
LGA    D    24_A      D    24_A     2.622     0    0.347   1.189     7.246   63.214   42.083
LGA    G    25_A      G    25_A     2.562     0    0.032   0.032     3.007   57.262   57.262
LGA    T    26_A      T    26_A     2.388     0    0.142   1.104     4.787   64.762   60.000
LGA    I    27_A      I    27_A     1.672     0    0.064   1.228     3.036   72.857   68.095
LGA    L    28_A      L    28_A     2.586     0    0.085   1.015     2.961   59.048   67.083
LGA    K    29_A      K    29_A     2.477     0    0.078   0.931     7.449   64.762   47.090
LGA    S    30_A      S    30_A     2.424     0    0.097   0.704     3.543   59.167   58.810
LGA    T    31_A      T    31_A     3.693     0    0.653   1.407     5.026   40.714   40.068
LGA    I    32_A      I    32_A     4.233     0    0.122   1.213     7.404   26.905   32.798
LGA    K    33_A      K    33_A     8.752     0    0.529   0.885    13.928    4.881    2.222
LGA    N    34_A      N    34_A     9.348     0    0.669   0.557    14.076    1.548    0.774
LGA    E    35_A      E    35_A     6.427     0    0.597   1.273     9.701   16.667   10.000
LGA    T    36_A      T    36_A     3.637     0    0.594   1.349     5.761   50.119   44.082
LGA    L    37_A      L    37_A     3.270     0    0.029   0.954     4.230   46.667   45.893
LGA    K    38_A      K    38_A     4.761     0    0.120   0.678     9.536   31.548   20.688
LGA    K    39_A      K    39_A     5.071     0    0.151   0.941     9.212   27.619   20.476
LGA    T    40_A      T    40_A     3.483     0    0.116   1.127     4.226   46.667   53.061
LGA    F    41_A      F    41_A     4.833     0    0.113   0.647     5.523   31.548   29.134
LGA    P    42_A      P    42_A     6.335     0    0.059   0.306     8.800   22.738   15.850
LGA    I    43_A      I    43_A     4.403     0    0.034   1.176     5.706   43.929   38.631
LGA    L    44_A      L    44_A     1.294     0    0.038   0.934     3.959   75.119   63.750
LGA    K    45_A      K    45_A     3.637     0    0.023   0.524     9.445   51.905   27.672
LGA    N    46_A      N    46_A     4.071     0    0.066   1.157     9.659   45.119   27.143
LGA    L    47_A      L    47_A     2.948     0    0.027   1.007     6.681   59.048   43.214
LGA    L    48_A      L    48_A     2.535     0    0.056   0.167     5.032   61.190   50.179
LGA    K    49_A      K    49_A     2.367     0    0.090   1.176    11.344   72.976   44.603
LGA    D    50_A      D    50_A     2.725     0    0.280   0.873     4.145   55.833   51.369
LGA    Q    51_A      Q    51_A     5.490     0    0.344   1.089    13.092   28.571   13.651
LGA    I    52_A      I    52_A     2.376     0    0.048   0.650     5.230   46.071   54.762
LGA    P    53_A      P    53_A     6.127     0    0.070   0.241     7.131   26.786   22.381
LGA    T    54_A      T    54_A     7.806     0    0.571   1.011    12.053   15.714    8.980
LGA    G    55_A      G    55_A     6.181     0    0.694   0.694     7.389   23.929   23.929
LGA    S    56_A      S    56_A     2.433     0    0.084   0.150     6.469   46.071   39.762
LGA    S    57_A      S    57_A     2.908     0    0.068   0.185     4.437   57.262   50.556
LGA    F    58_A      F    58_A     4.380     0    0.060   1.432    10.851   37.500   15.411
LGA    F    59_A      F    59_A     2.392     0    0.212   1.223     8.327   52.262   32.987
LGA    K    60_A      K    60_A     4.341     0    0.486   0.785    10.030   43.690   23.175
LGA    L    61_A      L    61_A     1.618     0    0.126   0.315     8.677   66.310   41.190
LGA    P    62_A      P    62_A     2.171     0    0.086   0.401     2.569   62.857   64.830
LGA    V    63_A      V    63_A     2.618     0    0.042   1.037     5.321   59.048   55.034
LGA    V    64_A      V    64_A     2.436     0    0.104   0.203     2.594   62.857   63.673
LGA    F    65_A      F    65_A     2.061     0    0.025   1.342     7.172   64.762   47.792
LGA    F    66_A      F    66_A     2.095     0    0.155   0.309     3.824   68.810   57.576
LGA    R    67_A      R    67_A     1.718     0    0.248   1.148     8.336   75.000   47.619
LGA    V    68_A      V    68_A     1.884     0    0.537   1.293     3.770   72.857   65.238
LGA    T    69_A      T    69_A     1.639     0    0.071   0.103     2.447   77.143   72.993
LGA    D    70_A      D    70_A     1.199     0    0.067   0.141     1.298   81.429   81.429
LGA    N    71_A      N    71_A     1.492     0    0.278   1.206     3.772   73.214   72.560
LGA    V    72_A      V    72_A     1.902     0    0.174   1.082     4.111   75.000   67.823
LGA    I    73_A      I    73_A     1.821     0    0.050   0.247     2.920   72.857   66.905
LGA    V    74_A      V    74_A     1.776     0    0.058   0.094     1.851   72.857   72.857
LGA    I    75_A      I    75_A     2.001     0    0.039   1.226     3.757   70.833   63.214
LGA    L    76_A      L    76_A     1.955     0    0.052   1.344     3.556   68.810   68.274
LGA    L    77_A      L    77_A     2.050     0    0.069   0.210     3.288   70.833   64.048
LGA    T    78_A      T    78_A     0.854     0    0.149   1.179     2.439   88.214   81.837
LGA    N    79_A      N    79_A     0.603     0    0.683   1.252     4.020   84.048   76.190
LGA    E    80_A      E    80_A     3.051     0    0.636   1.060     6.954   61.190   35.503
LGA    K    81_A      K    81_A     3.642     0    0.267   1.389     8.200   53.810   31.005
LGA    E    82_A      E    82_A     3.255     0    0.037   0.356     4.420   51.786   46.455
LGA    N    83_A      N    83_A     3.748     0    0.080   0.842     4.772   48.452   48.750
LGA    I    84_A      I    84_A     3.060     0    0.052   1.032     5.657   57.381   47.440
LGA    I    85_A      I    85_A     2.058     0    0.027   0.637     4.323   70.952   66.488
LGA    L    86_A      L    86_A     1.804     0    0.061   0.229     3.258   75.000   66.131
LGA    S    87_A      S    87_A     1.304     0    0.086   0.077     1.950   81.548   78.651
LGA    M    88_A      M    88_A     1.365     0    0.048   1.469     6.474   81.429   63.988
LGA    F    89_A      F    89_A     1.892     0    0.036   1.307     4.552   72.976   63.939
LGA    E    90_A      E    90_A     2.199     0    0.035   0.547     2.827   64.881   63.122
LGA    L    91_A      L    91_A     2.273     0    0.040   1.174     4.577   62.857   56.190
LGA    F    92_A      F    92_A     2.103     0    0.048   0.080     2.988   60.952   62.771
LGA    S    93_A      S    93_A     3.512     0    0.025   0.593     4.440   45.238   45.714
LGA    T    94_A      T    94_A     4.364     0    0.039   0.969     4.900   37.262   35.578
LGA    Q    95_A      Q    95_A     3.782     0    0.072   0.995     6.802   41.786   37.566
LGA    F    96_A      F    96_A     3.885     0    0.162   0.559     7.146   46.667   32.987
LGA    A    97_A      A    97_A     2.528     0    0.044   0.052     3.068   63.214   63.524
LGA    E    98_A      E    98_A     1.739     0    0.037   0.943     2.983   75.000   65.079
LGA    K    99_A      K    99_A     2.433     0    0.064   1.050     6.812   66.786   43.862
LGA    L   100_A      L   100_A     2.451     0    0.073   0.979     6.962   64.762   45.119
LGA    A   101_A      A   101_A     1.666     0    0.089   0.087     1.723   75.000   74.571
LGA    L   102_A      L   102_A     1.102     0    0.052   0.932     3.139   81.429   78.631
LGA    E   103_A      E   103_A     1.608     0    0.071   0.622     2.804   69.048   67.619
LGA    Y   104_A      Y   104_A     3.395     0    0.308   0.268     5.100   48.452   38.571
LGA    P   105_A      P   105_A     3.638     0    0.060   0.392     3.743   50.119   49.116
LGA    R   106_A      R   106_A     2.874     0    0.129   1.249     3.745   55.357   52.078
LGA    T   107_A      T   107_A     2.209     0    0.156   1.260     4.559   68.810   60.204
LGA    Y   108_A      Y   108_A     1.315     0    0.582   1.404    12.280   63.690   31.706
LGA    E   109_A      E   109_A     7.112     0    0.604   1.210    10.097   10.714    7.937

# 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):     3.363          3.322                  4.573           55.904   47.323

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0     92    2.65    60.321    56.458     3.349

LGA_LOCAL      RMSD:   2.647  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.425  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   3.363  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.912996 * X  +   0.048824 * Y  +   0.405035 * Z  + -25.448801
  Y_new =  -0.087848 * X  +  -0.945996 * Y  +   0.312050 * Z  +  12.386291
  Z_new =   0.398397 * X  +  -0.320482 * Y  +  -0.859402 * Z  +  23.849260 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.095924 -0.409769 -2.784653   [DEG:   -5.4960  -23.4780 -159.5489 ]
ZXZ:  2.227243  2.604894  2.248232   [DEG:  127.6116  149.2495  128.8142 ]
 
# END of job
