
#######################################################
#                                                     #
#                        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       4.32     4.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      62_A - 103_A       1.96     5.18
  LCS_AVERAGE:     25.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      62_A - 78_A        0.99     5.17
  LCS_AVERAGE:     10.46

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   20  109     12   13   21   41   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     P     2_A     P     2_A     15   20  109     12   13   16   34   60   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I     3_A     I     3_A     15   20  109     12   13   20   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I     4_A     I     4_A     15   20  109     12   13   23   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E     5_A     E     5_A     15   20  109     12   13   21   41   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     N     6_A     N     6_A     15   20  109     12   13   14   23   60   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     C     7_A     C     7_A     15   20  109     12   13   14   29   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     A     8_A     A     8_A     15   20  109     12   13   23   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     A     9_A     A     9_A     15   20  109     12   13   21   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    10_A     F    10_A     15   20  109     12   13   18   29   54   73   84   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    11_A     I    11_A     15   20  109     12   13   15   31   55   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E    12_A     E    12_A     15   20  109     12   13   19   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    13_A     K    13_A     15   20  109      9   13   21   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    14_A     T    14_A     15   20  109      3    6   20   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     M    15_A     M    15_A     15   20  109      3    6   19   41   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     S    16_A     S    16_A      3   20  109      3    7   11   33   50   73   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    17_A     K    17_A      5   20  109      4    7   23   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     Y    18_A     Y    18_A      5   20  109      4    7   23   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     A    19_A     A    19_A      5   20  109      4    5   13   32   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    20_A     I    20_A      5   20  109      4    7   23   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    21_A     T    21_A      5   16  109      2    5   14   34   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    22_A     L    22_A      3   16  109      0    5   19   34   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     S    23_A     S    23_A      3   16  109      3    8   19   39   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     D    24_A     D    24_A      8   16  109      4   16   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     G    25_A     G    25_A      8   16  109      3   17   29   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    26_A     T    26_A      8   16  109      8   18   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    27_A     I    27_A      8   16  109      8   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    28_A     L    28_A      8   14  109      8   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    29_A     K    29_A      8   14  109      6   17   30   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     S    30_A     S    30_A      8   14  109      6   13   26   41   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    31_A     T    31_A      8   14  109      6   12   21   26   43   67   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    32_A     I    32_A      7   14  109      3    3    6   13   20   38   63   79   92  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    33_A     K    33_A      7   19  109      3    9   17   22   35   59   80   91   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     N    34_A     N    34_A      7   19  109      3    6   13   17   22   54   70   84   92   99  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E    35_A     E    35_A     13   19  109      3    9   16   27   48   70   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    36_A     T    36_A     14   19  109      4   12   27   43   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    37_A     L    37_A     14   19  109      4   18   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    38_A     K    38_A     14   19  109      4    8   15   22   36   55   80   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    39_A     K    39_A     14   19  109      4    9   15   18   29   41   58   86   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    40_A     T    40_A     14   19  109      4   10   19   40   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    41_A     F    41_A     14   19  109      5   10   15   25   43   67   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     P    42_A     P    42_A     14   19  109      5   10   15   16   17   31   53   66   82  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    43_A     I    43_A     14   19  109      6   10   15   25   42   67   83   92   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    44_A     L    44_A     14   19  109      6   18   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    45_A     K    45_A     14   19  109      6   10   15   25   42   60   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     N    46_A     N    46_A     14   19  109      6   10   19   38   55   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    47_A     L    47_A     14   19  109      6   10   15   40   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    48_A     L    48_A     14   19  109      6   12   24   41   54   70   84   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    49_A     K    49_A     14   19  109      6   10   19   38   60   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     D    50_A     D    50_A      4   19  109      4    4   21   43   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     Q    51_A     Q    51_A      4   19  109      4    5   24   41   54   67   84   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    52_A     I    52_A      5   18  109      3    4    6    6   13   21   72   86   96  100  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     P    53_A     P    53_A      5   27  109      4   10   16   35   52   66   81   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    54_A     T    54_A      5   27  109      4    5   15   31   53   72   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     G    55_A     G    55_A      6   27  109      4    7   25   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     S    56_A     S    56_A      6   27  109      5   13   23   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     S    57_A     S    57_A      6   27  109      5    5   14   40   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    58_A     F    58_A      6   27  109      5   12   24   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    59_A     F    59_A      6   27  109      5    8   25   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    60_A     K    60_A      6   27  109      5   12   16   39   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    61_A     L    61_A      7   27  109      3    5   10   34   62   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     P    62_A     P    62_A     17   42  109      5   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     V    63_A     V    63_A     17   42  109      4   18   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     V    64_A     V    64_A     17   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    65_A     F    65_A     17   42  109      8   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    66_A     F    66_A     17   42  109      8   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     R    67_A     R    67_A     17   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     V    68_A     V    68_A     17   42  109      3   18   29   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    69_A     T    69_A     17   42  109      3   13   29   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     D    70_A     D    70_A     17   42  109      4    5   21   39   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     N    71_A     N    71_A     17   42  109      8   18   29   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     V    72_A     V    72_A     17   42  109      8   18   30   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    73_A     I    73_A     17   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     V    74_A     V    74_A     17   42  109      8   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    75_A     I    75_A     17   42  109      5   18   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    76_A     L    76_A     17   42  109      4   18   30   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    77_A     L    77_A     17   42  109      4   18   30   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    78_A     T    78_A     17   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     N    79_A     N    79_A      9   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E    80_A     E    80_A      6   42  109      2    5   11   27   58   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    81_A     K    81_A      3   42  109      3    3    3   25   38   65   79   93   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E    82_A     E    82_A      4   42  109      3    4    4   13   20   34   42   71   87   94  100  102  104  105  105  105  105  106  106  107 
LCS_GDT     N    83_A     N    83_A     15   42  109      4    7   16   39   54   69   84   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    84_A     I    84_A     15   42  109      6   16   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     I    85_A     I    85_A     15   42  109      6   15   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    86_A     L    86_A     15   42  109      6   16   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     S    87_A     S    87_A     15   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     M    88_A     M    88_A     15   42  109      7   15   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    89_A     F    89_A     15   42  109      7   15   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E    90_A     E    90_A     15   42  109      7   16   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L    91_A     L    91_A     15   42  109      7   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    92_A     F    92_A     15   42  109      7   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     S    93_A     S    93_A     15   42  109      7   13   21   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     T    94_A     T    94_A     15   42  109      7   13   23   42   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     Q    95_A     Q    95_A     15   42  109      5   15   29   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     F    96_A     F    96_A     15   42  109      4   13   27   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     A    97_A     A    97_A     15   42  109      4   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E    98_A     E    98_A     10   42  109      5   17   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     K    99_A     K    99_A     10   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L   100_A     L   100_A     10   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     A   101_A     A   101_A     10   42  109      5   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     L   102_A     L   102_A     10   42  109      6   19   32   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     E   103_A     E   103_A     10   42  109      4    7   27   43   63   78   85   94   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     Y   104_A     Y   104_A      5   24  109      4    7   17   34   53   73   84   92   98  101  103  103  104  105  105  105  105  106  106  107 
LCS_GDT     P   105_A     P   105_A      5    7  109      4    4    6   12   31   39   51   62   80   95   99  102  103  105  105  105  105  106  106  107 
LCS_GDT     R   106_A     R   106_A      5    7  109      4    4    6    7   11   21   32   37   45   52   72   84   96   98  101  102  105  106  106  107 
LCS_GDT     T   107_A     T   107_A      5    7  109      4    4    6    7   10   15   20   24   35   45   53   64   68   73   79   98  101  101  106  107 
LCS_GDT     Y   108_A     Y   108_A      5    7  109      1    4    6    7    8    9    9   11   13   14   25   27   39   46   49   55   59   88   91   95 
LCS_GDT     E   109_A     E   109_A      3    4  109      0    3    4    4    7   12   13   19   23   26   53   58   65   70   79   84   92  101  102  104 
LCS_AVERAGE  LCS_A:  45.30  (  10.46   25.45  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     12     19     32     43     63     78     85     94     98    101    103    103    104    105    105    105    105    106    106    107 
GDT PERCENT_AT  11.01  17.43  29.36  39.45  57.80  71.56  77.98  86.24  89.91  92.66  94.50  94.50  95.41  96.33  96.33  96.33  96.33  97.25  97.25  98.17
GDT RMS_LOCAL    0.28   0.74   1.04   1.30   1.84   2.05   2.23   2.46   2.59   2.76   2.85   2.85   2.91   3.02   3.02   3.02   3.02   3.24   3.24   3.55
GDT RMS_ALL_AT  13.74   4.97   4.92   4.99   4.60   4.61   4.58   4.63   4.59   4.56   4.56   4.56   4.57   4.52   4.52   4.52   4.52   4.46   4.46   4.39

# Checking swapping
#   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    58_A      F    58_A
#   possible swapping detected:  F    65_A      F    65_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E    98_A      E    98_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     2.474     0    0.124   0.124     3.860   59.405   59.405
LGA    P     2_A      P     2_A     2.784     0    0.040   0.059     3.672   60.952   54.354
LGA    I     3_A      I     3_A     2.254     0    0.046   0.700     3.798   68.810   59.464
LGA    I     4_A      I     4_A     2.194     0    0.074   1.290     6.735   70.833   53.333
LGA    E     5_A      E     5_A     2.382     0    0.032   1.363     9.392   66.786   37.407
LGA    N     6_A      N     6_A     3.093     0    0.060   0.161     5.358   57.262   43.750
LGA    C     7_A      C     7_A     2.992     0    0.026   0.707     6.578   59.048   48.810
LGA    A     8_A      A     8_A     1.861     0    0.035   0.062     2.492   75.000   72.952
LGA    A     9_A      A     9_A     2.031     0    0.033   0.037     3.239   68.929   65.143
LGA    F    10_A      F    10_A     3.386     0    0.027   0.263     6.089   51.786   35.281
LGA    I    11_A      I    11_A     3.289     0    0.038   0.634     4.790   55.357   46.310
LGA    E    12_A      E    12_A     2.063     0    0.143   0.718     5.491   66.786   51.481
LGA    K    13_A      K    13_A     1.993     0    0.052   1.122     4.517   69.048   65.661
LGA    T    14_A      T    14_A     2.481     0    0.075   1.244     5.675   72.976   59.048
LGA    M    15_A      M    15_A     2.189     0    0.420   1.009     8.841   58.690   36.667
LGA    S    16_A      S    16_A     3.775     0    0.695   0.606     5.759   55.595   44.206
LGA    K    17_A      K    17_A     2.051     0    0.571   1.357     3.914   59.405   62.434
LGA    Y    18_A      Y    18_A     2.310     0    0.047   1.301     8.171   59.405   33.095
LGA    A    19_A      A    19_A     2.925     0    0.042   0.058     5.486   57.500   51.238
LGA    I    20_A      I    20_A     2.483     0    0.110   1.195     8.195   59.405   39.643
LGA    T    21_A      T    21_A     2.658     0    0.127   0.190     6.525   57.500   40.952
LGA    L    22_A      L    22_A     3.129     0    0.029   1.140     9.347   63.214   36.905
LGA    S    23_A      S    23_A     3.134     0    0.636   0.575     6.263   53.690   43.016
LGA    D    24_A      D    24_A     0.982     0    0.379   0.665     3.786   85.952   71.786
LGA    G    25_A      G    25_A     1.946     0    0.064   0.064     2.085   70.833   70.833
LGA    T    26_A      T    26_A     1.760     0    0.178   0.206     2.311   70.833   71.701
LGA    I    27_A      I    27_A     1.161     0    0.071   0.650     1.824   81.429   82.619
LGA    L    28_A      L    28_A     1.979     0    0.085   0.124     2.645   68.810   65.833
LGA    K    29_A      K    29_A     2.061     0    0.060   1.054     9.132   70.833   43.598
LGA    S    30_A      S    30_A     2.414     0    0.158   0.537     4.206   54.167   54.127
LGA    T    31_A      T    31_A     4.260     0    0.621   1.248     5.717   36.190   32.789
LGA    I    32_A      I    32_A     6.286     0    0.043   0.582     9.759   20.357   12.321
LGA    K    33_A      K    33_A     5.250     0    0.074   1.270     6.539   21.786   23.280
LGA    N    34_A      N    34_A     6.070     0    0.695   1.153    10.324   20.476   13.393
LGA    E    35_A      E    35_A     3.971     0    0.585   1.028     4.130   48.452   47.884
LGA    T    36_A      T    36_A     2.386     0    0.061   1.037     4.206   60.952   59.796
LGA    L    37_A      L    37_A     1.486     0    0.048   0.953     5.809   73.095   57.202
LGA    K    38_A      K    38_A     4.923     0    0.117   0.829    11.794   30.595   16.190
LGA    K    39_A      K    39_A     5.920     0    0.129   0.832    13.285   22.738   12.751
LGA    T    40_A      T    40_A     2.578     0    0.111   1.168     3.349   61.190   60.680
LGA    F    41_A      F    41_A     3.729     0    0.158   1.271     6.996   45.238   30.390
LGA    P    42_A      P    42_A     6.849     0    0.046   0.186     8.744   19.405   14.626
LGA    I    43_A      I    43_A     4.681     0    0.036   1.242     7.375   44.286   30.893
LGA    L    44_A      L    44_A     0.917     0    0.042   1.045     4.181   81.548   69.762
LGA    K    45_A      K    45_A     3.853     0    0.042   0.776     7.908   50.119   29.947
LGA    N    46_A      N    46_A     3.380     0    0.059   0.902     8.248   59.167   40.714
LGA    L    47_A      L    47_A     2.817     0    0.058   0.918     6.344   61.190   43.929
LGA    L    48_A      L    48_A     3.634     0    0.420   0.823     8.047   53.810   32.321
LGA    K    49_A      K    49_A     2.670     0    0.104   0.640     6.604   54.048   42.910
LGA    D    50_A      D    50_A     2.621     0    0.487   1.231     4.858   71.190   56.726
LGA    Q    51_A      Q    51_A     3.784     0    0.437   1.313    11.909   53.810   28.042
LGA    I    52_A      I    52_A     5.369     0    0.592   0.988    10.110   25.238   14.107
LGA    P    53_A      P    53_A     4.159     0    0.065   0.071     4.385   46.905   44.558
LGA    T    54_A      T    54_A     3.531     0    0.579   1.265     5.816   52.500   43.673
LGA    G    55_A      G    55_A     1.838     0    0.253   0.253     2.989   65.000   65.000
LGA    S    56_A      S    56_A     1.852     0    0.102   0.123     4.577   65.476   56.111
LGA    S    57_A      S    57_A     2.415     0    0.049   0.191     5.771   69.048   54.841
LGA    F    58_A      F    58_A     2.612     0    0.017   1.428     9.316   59.524   27.619
LGA    F    59_A      F    59_A     1.582     0    0.033   0.156    10.118   71.429   33.333
LGA    K    60_A      K    60_A     2.806     0    0.515   1.078     7.305   59.167   39.312
LGA    L    61_A      L    61_A     2.859     0    0.078   0.919    10.171   63.214   36.786
LGA    P    62_A      P    62_A     1.099     0    0.570   0.484     2.182   79.524   80.340
LGA    V    63_A      V    63_A     1.458     0    0.117   1.064     3.611   79.286   72.313
LGA    V    64_A      V    64_A     1.085     0    0.094   0.993     3.088   83.690   78.231
LGA    F    65_A      F    65_A     1.213     0    0.099   1.375     6.867   81.429   55.541
LGA    F    66_A      F    66_A     1.363     0    0.106   0.359     3.397   79.286   69.697
LGA    R    67_A      R    67_A     1.315     0    0.570   0.957     4.247   69.762   57.619
LGA    V    68_A      V    68_A     2.689     0    0.644   1.415     4.633   54.643   50.748
LGA    T    69_A      T    69_A     2.235     0    0.515   1.406     5.306   61.071   52.109
LGA    D    70_A      D    70_A     2.837     0    0.516   0.700     6.760   69.048   45.952
LGA    N    71_A      N    71_A     2.308     0    0.200   1.143     6.043   61.071   52.440
LGA    V    72_A      V    72_A     2.206     0    0.080   1.033     4.495   66.786   62.041
LGA    I    73_A      I    73_A     1.490     0    0.133   1.454     3.836   81.429   73.512
LGA    V    74_A      V    74_A     1.643     0    0.039   0.060     2.175   75.000   71.769
LGA    I    75_A      I    75_A     1.585     0    0.057   1.085     3.529   75.000   71.310
LGA    L    76_A      L    76_A     1.955     0    0.049   1.418     3.786   68.810   65.119
LGA    L    77_A      L    77_A     2.033     0    0.049   0.850     3.251   70.833   65.952
LGA    T    78_A      T    78_A     1.347     0    0.123   0.139     1.753   79.286   78.980
LGA    N    79_A      N    79_A     0.925     0    0.680   1.321     3.008   77.619   73.512
LGA    E    80_A      E    80_A     3.452     0    0.620   1.166     9.435   59.167   29.524
LGA    K    81_A      K    81_A     4.568     0    0.599   1.156     8.609   33.452   21.746
LGA    E    82_A      E    82_A     7.032     0    0.599   1.173    15.113   18.690    8.466
LGA    N    83_A      N    83_A     4.035     0    0.091   0.780     4.981   43.929   42.143
LGA    I    84_A      I    84_A     2.544     0    0.043   1.071     4.935   61.190   53.512
LGA    I    85_A      I    85_A     2.331     0    0.043   1.518     5.936   68.810   58.571
LGA    L    86_A      L    86_A     1.835     0    0.057   1.395     3.769   72.976   65.238
LGA    S    87_A      S    87_A     1.310     0    0.077   0.690     3.595   81.548   73.730
LGA    M    88_A      M    88_A     1.723     0    0.077   1.132     7.297   77.143   56.845
LGA    F    89_A      F    89_A     1.540     0    0.059   1.067     3.164   75.000   72.554
LGA    E    90_A      E    90_A     1.319     0    0.047   0.901     5.116   79.286   61.164
LGA    L    91_A      L    91_A     1.445     0    0.072   0.084     2.168   79.286   75.060
LGA    F    92_A      F    92_A     1.419     0    0.033   1.495     7.140   77.143   52.944
LGA    S    93_A      S    93_A     2.381     0    0.043   0.087     3.222   62.976   59.841
LGA    T    94_A      T    94_A     2.725     0    0.040   0.112     3.329   57.262   56.190
LGA    Q    95_A      Q    95_A     2.424     0    0.059   0.696     4.313   62.857   53.757
LGA    F    96_A      F    96_A     2.399     0    0.162   0.340     5.943   68.810   46.580
LGA    A    97_A      A    97_A     1.452     0    0.039   0.050     1.579   77.143   76.286
LGA    E    98_A      E    98_A     1.467     0    0.076   0.144     4.354   81.429   63.492
LGA    K    99_A      K    99_A     1.295     0    0.060   1.088     2.661   81.429   73.122
LGA    L   100_A      L   100_A     1.136     0    0.041   0.283     1.590   83.690   82.619
LGA    A   101_A      A   101_A     0.903     0    0.102   0.100     1.522   90.476   86.952
LGA    L   102_A      L   102_A     1.088     0    0.113   1.222     3.389   81.548   71.369
LGA    E   103_A      E   103_A     2.020     0    0.565   1.125     8.661   71.190   41.481
LGA    Y   104_A      Y   104_A     4.473     0    0.412   1.315     6.807   31.190   40.476
LGA    P   105_A      P   105_A     8.862     0    0.086   0.374    10.796    3.214    3.741
LGA    R   106_A      R   106_A    13.255     0    0.070   1.185    20.936    0.000    0.000
LGA    T   107_A      T   107_A    16.771     0    0.186   1.292    18.878    0.000    0.000
LGA    Y   108_A      Y   108_A    22.401     0    0.308   1.329    26.060    0.000    0.000
LGA    E   109_A      E   109_A    20.074     0    0.242   0.953    22.411    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):     4.320          4.232                  5.691           59.558   49.335

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0     94    2.46    59.862    57.140     3.672

LGA_LOCAL      RMSD:   2.460  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.629  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   4.320  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.455043 * X  +  -0.266985 * Y  +  -0.849503 * Z  +  35.254204
  Y_new =  -0.339578 * X  +   0.829874 * Y  +  -0.442713 * Z  + -17.302353
  Z_new =   0.823179 * X  +   0.489926 * Y  +   0.286966 * Z  + -35.098068 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.641101 -0.966987  1.040933   [DEG:  -36.7324  -55.4043   59.6411 ]
ZXZ: -1.090377  1.279738  1.033940   [DEG:  -62.4740   73.3236   59.2404 ]
 
# END of job
