
#######################################################
#                                                     #
#                        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:   107       1_A - 107_A       4.93     5.91
  LCS_AVERAGE:     96.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      58_A - 100_A       1.97     7.18
  LCS_AVERAGE:     24.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      64_A - 79_A        0.95     7.00
  LCS_AVERAGE:      9.54

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A     14   20  107      6   13   14   33   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     P     2_A     P     2_A     14   20  107      8   13   13   28   55   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I     3_A     I     3_A     14   20  107      9   13   13   24   48   67   74   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I     4_A     I     4_A     14   20  107      9   13   15   30   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E     5_A     E     5_A     14   20  107      9   13   14   29   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     N     6_A     N     6_A     14   20  107      9   13   13   21   41   65   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     C     7_A     C     7_A     14   20  107      9   13   13   22   41   64   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     A     8_A     A     8_A     14   20  107      9   13   15   30   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     A     9_A     A     9_A     14   20  107      9   13   14   29   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    10_A     F    10_A     14   20  107      9   13   13   23   30   64   73   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    11_A     I    11_A     14   20  107      9   13   13   23   41   59   73   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E    12_A     E    12_A     14   20  107      3   13   14   30   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    13_A     K    13_A     14   20  107      9   13   14   29   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    14_A     T    14_A     14   20  107      3    5   10   27   51   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     M    15_A     M    15_A      5   20  107      3    8   14   31   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     S    16_A     S    16_A      3   20  107      3    3    5    8   17   59   72   79   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    17_A     K    17_A      5   20  107      4    8   15   31   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     Y    18_A     Y    18_A      5   20  107      4    8   15   31   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     A    19_A     A    19_A      5   20  107      4    7   12   26   53   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    20_A     I    20_A      5   20  107      6   11   16   31   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    21_A     T    21_A      5   12  107      2    5   13   26   53   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    22_A     L    22_A      4   12  107      2    4   15   29   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     S    23_A     S    23_A      3   12  107      3    8   16   29   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     D    24_A     D    24_A      7   10  107      3    7   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     G    25_A     G    25_A      7   10  107      3   19   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    26_A     T    26_A      7   10  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    27_A     I    27_A      7   10  107      5   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    28_A     L    28_A      7   10  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    29_A     K    29_A      7   10  107      6   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     S    30_A     S    30_A      7   10  107      5   11   23   35   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    31_A     T    31_A      7   10  107      5    9   16   25   40   65   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    32_A     I    32_A      4   10  107      3    3   10   18   31   39   60   79   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    33_A     K    33_A      4   10  107      3    3   11   17   31   39   54   74   84   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     N    34_A     N    34_A      4   10  107      3    5   11   16   30   39   54   74   83   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E    35_A     E    35_A      4   10  107      3    9   13   22   34   47   71   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    36_A     T    36_A      7   16  107      4    7   10   20   38   51   72   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    37_A     L    37_A      7   16  107      4    7   10   18   34   50   71   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    38_A     K    38_A      7   16  107      4    7    9   18   26   41   60   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    39_A     K    39_A     12   16  107      4    7   10   15   26   38   57   72   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    40_A     T    40_A     12   16  107      3   11   12   18   29   47   69   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    41_A     F    41_A     12   16  107      3   11   12   15   23   44   60   76   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     P    42_A     P    42_A     12   16  107      8   11   12   14   21   33   51   61   74   87   96  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    43_A     I    43_A     12   16  107      8   11   12   18   26   40   57   72   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    44_A     L    44_A     12   16  107      8   11   16   27   50   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    45_A     K    45_A     12   16  107      8   11   12   18   41   56   73   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     N    46_A     N    46_A     12   16  107      7   11   12   22   34   55   73   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    47_A     L    47_A     12   16  107      8   11   15   25   42   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    48_A     L    48_A     12   16  107      8   11   15   32   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    49_A     K    49_A     12   16  107      8   11   15   29   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     D    50_A     D    50_A     12   16  107      8   11   16   25   42   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     Q    51_A     Q    51_A     12   16  107      4    6   13   21   36   54   73   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    52_A     I    52_A      4   14  107      4    4    4    5    6   28   54   77   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     P    53_A     P    53_A      4    8  107      4    6   16   25   39   65   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    54_A     T    54_A      4    9  107      4    4    4   14   19   28   49   61   74   88   96  101  103  103  103  103  103  103  104  104 
LCS_GDT     G    55_A     G    55_A      7    9  107      5    9   13   23   34   53   69   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     S    56_A     S    56_A      7   24  107      5    7   16   37   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     S    57_A     S    57_A      7   41  107      5    9   16   27   51   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    58_A     F    58_A      7   43  107      5    9   23   37   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    59_A     F    59_A      7   43  107      5    8   14   37   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    60_A     K    60_A      7   43  107      5    6    7   25   48   64   71   78   84   92   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    61_A     L    61_A      7   43  107      3    6   13   27   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     P    62_A     P    62_A      6   43  107      4   20   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     V    63_A     V    63_A      6   43  107      4    5    6   19   33   55   71   77   84   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     V    64_A     V    64_A     16   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    65_A     F    65_A     16   43  107      4    5   24   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    66_A     F    66_A     16   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     R    67_A     R    67_A     16   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     V    68_A     V    68_A     16   43  107      3   18   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    69_A     T    69_A     16   43  107      7   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     D    70_A     D    70_A     16   43  107      7   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     N    71_A     N    71_A     16   43  107      7   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     V    72_A     V    72_A     16   43  107      6   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    73_A     I    73_A     16   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     V    74_A     V    74_A     16   43  107      7   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    75_A     I    75_A     16   43  107      6   18   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    76_A     L    76_A     16   43  107      6   18   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    77_A     L    77_A     16   43  107      4   11   27   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    78_A     T    78_A     16   43  107      7   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     N    79_A     N    79_A     16   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E    80_A     E    80_A      4   43  107      3    4   10   23   42   64   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    81_A     K    81_A      3   43  107      3    4   11   35   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E    82_A     E    82_A     15   43  107      4    4    8   15   18   42   58   72   83   92   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     N    83_A     N    83_A     15   43  107      4    9   28   38   49   65   74   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    84_A     I    84_A     15   43  107      8   24   31   38   56   67   74   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     I    85_A     I    85_A     15   43  107      8   17   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    86_A     L    86_A     15   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     S    87_A     S    87_A     15   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     M    88_A     M    88_A     15   43  107      7   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    89_A     F    89_A     15   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E    90_A     E    90_A     15   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L    91_A     L    91_A     15   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    92_A     F    92_A     15   43  107      8   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     S    93_A     S    93_A     15   43  107      5   13   26   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     T    94_A     T    94_A     15   43  107      5   13   21   37   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     Q    95_A     Q    95_A     15   43  107      7   13   27   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     F    96_A     F    96_A     15   43  107      7   13   26   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     A    97_A     A    97_A     15   43  107      7   24   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E    98_A     E    98_A      9   43  107      7   10   26   36   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     K    99_A     K    99_A      9   43  107      7   16   31   38   56   67   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L   100_A     L   100_A      9   43  107      7    8    9   33   42   65   74   81   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     A   101_A     A   101_A      9   40  107      7    8    8   10   31   51   67   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     L   102_A     L   102_A      9   20  107      7    8   11   21   35   52   69   80   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     E   103_A     E   103_A      4   13  107      3    3   10   15   27   45   60   74   88   94   99  102  103  103  103  103  103  103  104  104 
LCS_GDT     Y   104_A     Y   104_A      4    6  107      3    3    6    6    6    8   12   15   20   22   42   59   74   82   91   98  102  103  104  104 
LCS_GDT     P   105_A     P   105_A      4    6  107      3    4    6    6    6    8    9   19   23   25   27   29   35   40   65   71   86   92  102  103 
LCS_GDT     R   106_A     R   106_A      4    6  107      3    4    6    6    6    8    8   11   12   16   18   19   23   25   26   49   57   63   68   72 
LCS_GDT     T   107_A     T   107_A      4    6  107      3    4    4    5    5    7    8   10   10   20   20   24   30   36   37   40   44   46   50   54 
LCS_GDT     Y   108_A     Y   108_A      4    6   16      3    4    4    5    5    7    9   12   14   20   20   24   30   36   37   49   53   57   58   72 
LCS_GDT     E   109_A     E   109_A      4    6   14      3    4    4    5    5    7    8    8   10   11   13   24   30   36   37   40   44   46   50   54 
LCS_AVERAGE  LCS_A:  43.45  (   9.54   24.20   96.62 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT      9     24     31     38     56     67     74     81     88     94     99    102    103    103    103    103    103    103    104    104 
GDT PERCENT_AT   8.26  22.02  28.44  34.86  51.38  61.47  67.89  74.31  80.73  86.24  90.83  93.58  94.50  94.50  94.50  94.50  94.50  94.50  95.41  95.41
GDT RMS_LOCAL    0.18   0.75   0.92   1.21   1.90   2.12   2.31   2.63   2.79   3.04   3.20   3.33   3.39   3.39   3.39   3.39   3.39   3.39   3.61   3.61
GDT RMS_ALL_AT  15.32   6.95   6.95   6.98   6.64   6.54   6.52   6.37   6.33   6.20   6.25   6.23   6.25   6.25   6.25   6.25   6.25   6.25   6.18   6.18

# Checking swapping
#   possible swapping detected:  F    10_A      F    10_A
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  Y   104_A      Y   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.448     0    0.299   0.299     2.035   77.262   77.262
LGA    P     2_A      P     2_A     2.508     0    0.054   0.209     3.431   60.952   58.299
LGA    I     3_A      I     3_A     3.474     0    0.066   1.006     8.563   53.571   36.726
LGA    I     4_A      I     4_A     2.623     0    0.082   1.284     6.500   66.905   51.905
LGA    E     5_A      E     5_A     1.723     0    0.030   0.683     6.566   75.000   48.042
LGA    N     6_A      N     6_A     3.308     0    0.053   1.137     6.680   51.786   39.405
LGA    C     7_A      C     7_A     3.667     0    0.031   0.061     5.257   48.333   42.778
LGA    A     8_A      A     8_A     2.255     0    0.050   0.074     2.500   68.810   68.000
LGA    A     9_A      A     9_A     2.046     0    0.041   0.044     3.125   66.786   63.429
LGA    F    10_A      F    10_A     3.727     0    0.027   0.337     5.618   48.452   34.372
LGA    I    11_A      I    11_A     3.650     0    0.024   1.297     8.852   51.905   35.417
LGA    E    12_A      E    12_A     2.294     0    0.156   0.733     7.363   64.881   41.270
LGA    K    13_A      K    13_A     2.151     0    0.086   0.945     3.291   63.095   60.741
LGA    T    14_A      T    14_A     2.666     0    0.072   1.235     5.503   64.881   54.422
LGA    M    15_A      M    15_A     2.024     0    0.381   1.229     7.855   55.595   37.560
LGA    S    16_A      S    16_A     4.666     0    0.708   0.611     6.567   43.810   34.286
LGA    K    17_A      K    17_A     2.664     0    0.584   0.785     4.417   59.286   53.651
LGA    Y    18_A      Y    18_A     2.185     0    0.042   1.383    13.164   52.619   23.016
LGA    A    19_A      A    19_A     3.090     0    0.059   0.090     5.512   57.381   50.190
LGA    I    20_A      I    20_A     2.563     0    0.100   0.692     7.885   55.952   36.964
LGA    T    21_A      T    21_A     2.580     0    0.124   0.210     6.314   63.214   46.122
LGA    L    22_A      L    22_A     2.677     0    0.035   1.165     9.487   63.214   37.560
LGA    S    23_A      S    23_A     1.985     0    0.704   0.840     3.788   72.976   65.397
LGA    D    24_A      D    24_A     2.784     0    0.422   0.355     6.521   59.286   43.155
LGA    G    25_A      G    25_A     2.868     0    0.072   0.072     3.251   57.262   57.262
LGA    T    26_A      T    26_A     2.644     0    0.108   0.137     2.870   60.952   60.408
LGA    I    27_A      I    27_A     2.351     0    0.164   0.567     3.556   64.762   58.333
LGA    L    28_A      L    28_A     2.692     0    0.069   0.098     2.902   57.143   57.143
LGA    K    29_A      K    29_A     2.444     0    0.103   0.952     9.049   66.786   44.286
LGA    S    30_A      S    30_A     1.925     0    0.150   0.551     3.763   61.548   64.127
LGA    T    31_A      T    31_A     3.461     0    0.670   1.394     4.642   45.476   42.789
LGA    I    32_A      I    32_A     5.545     0    0.160   0.238     7.377   25.119   21.845
LGA    K    33_A      K    33_A     6.219     0    0.146   0.949     7.596   16.190   14.762
LGA    N    34_A      N    34_A     6.372     0    0.677   0.754     7.257   15.357   15.417
LGA    E    35_A      E    35_A     4.905     0    0.115   1.209     7.489   27.976   24.974
LGA    T    36_A      T    36_A     4.575     0    0.617   0.941     7.076   37.857   29.864
LGA    L    37_A      L    37_A     4.795     0    0.025   1.066     7.082   28.810   25.536
LGA    K    38_A      K    38_A     5.787     0    0.154   0.695     7.359   19.524   15.503
LGA    K    39_A      K    39_A     6.207     0    0.135   0.774    11.045   17.262   12.328
LGA    T    40_A      T    40_A     4.944     0    0.158   1.203     5.243   28.810   32.449
LGA    F    41_A      F    41_A     6.041     0    0.106   0.928     6.770   19.286   18.398
LGA    P    42_A      P    42_A     7.626     0    0.049   0.301    10.257   11.905    7.415
LGA    I    43_A      I    43_A     5.743     0    0.034   1.217     7.347   29.762   24.821
LGA    L    44_A      L    44_A     2.314     0    0.032   1.074     3.632   63.095   63.333
LGA    K    45_A      K    45_A     3.875     0    0.046   0.882     5.305   50.119   47.778
LGA    N    46_A      N    46_A     4.049     0    0.082   0.636     7.372   45.119   33.690
LGA    L    47_A      L    47_A     3.118     0    0.053   0.931     5.520   53.571   43.631
LGA    L    48_A      L    48_A     2.829     0    0.033   0.192     5.124   57.262   47.500
LGA    K    49_A      K    49_A     2.407     0    0.082   1.506    10.061   64.762   44.180
LGA    D    50_A      D    50_A     3.138     0    0.521   0.506     6.067   43.333   37.024
LGA    Q    51_A      Q    51_A     4.612     0    0.581   1.301    11.119   40.357   21.640
LGA    I    52_A      I    52_A     4.749     0    0.035   1.140     9.231   31.548   20.357
LGA    P    53_A      P    53_A     3.571     0    0.120   0.146     5.053   36.071   36.599
LGA    T    54_A      T    54_A     7.167     0    0.588   1.004    11.573   19.762   11.905
LGA    G    55_A      G    55_A     4.292     0    0.144   0.144     5.179   42.619   42.619
LGA    S    56_A      S    56_A     1.403     0    0.088   0.184     4.073   62.024   58.095
LGA    S    57_A      S    57_A     2.333     0    0.074   0.597     5.979   69.048   55.794
LGA    F    58_A      F    58_A     3.057     0    0.029   1.426     9.820   52.262   23.550
LGA    F    59_A      F    59_A     1.730     0    0.029   0.121     9.132   61.548   36.667
LGA    K    60_A      K    60_A     5.129     0    0.509   0.935    10.460   27.976   14.868
LGA    L    61_A      L    61_A     2.717     0    0.346   0.507     8.181   59.286   38.690
LGA    P    62_A      P    62_A     1.886     0    0.680   0.605     3.818   61.548   65.238
LGA    V    63_A      V    63_A     5.254     0    0.059   0.123     9.761   39.167   23.673
LGA    V    64_A      V    64_A     1.396     0    0.063   1.024     4.930   55.000   54.218
LGA    F    65_A      F    65_A     3.101     0    0.191   1.237    11.873   63.333   26.017
LGA    F    66_A      F    66_A     0.854     0    0.129   0.323     2.908   90.476   75.714
LGA    R    67_A      R    67_A     0.908     0    0.191   0.590     5.029   88.214   68.398
LGA    V    68_A      V    68_A     1.527     0    0.641   0.695     3.115   69.286   72.041
LGA    T    69_A      T    69_A     1.835     0    0.022   1.124     3.773   70.833   65.238
LGA    D    70_A      D    70_A     1.491     0    0.076   0.226     1.720   79.286   79.286
LGA    N    71_A      N    71_A     1.624     0    0.247   1.142     2.689   68.929   72.202
LGA    V    72_A      V    72_A     1.681     0    0.118   0.146     1.943   72.857   72.857
LGA    I    73_A      I    73_A     1.746     0    0.037   1.197     4.000   72.857   68.452
LGA    V    74_A      V    74_A     1.739     0    0.066   0.073     2.131   72.857   70.544
LGA    I    75_A      I    75_A     2.042     0    0.040   1.108     4.059   70.833   67.440
LGA    L    76_A      L    76_A     2.294     0    0.078   1.384     3.563   59.167   59.345
LGA    L    77_A      L    77_A     2.636     0    0.090   0.302     3.990   62.857   56.488
LGA    T    78_A      T    78_A     1.557     0    0.076   0.094     2.071   75.119   77.891
LGA    N    79_A      N    79_A     0.898     0    0.690   1.164     3.182   79.881   74.643
LGA    E    80_A      E    80_A     3.363     0    0.027   1.117    10.369   57.381   28.836
LGA    K    81_A      K    81_A     2.267     0    0.473   1.480     6.252   53.095   44.233
LGA    E    82_A      E    82_A     6.047     0    0.608   1.192    13.922   30.714   14.180
LGA    N    83_A      N    83_A     3.651     0    0.033   1.262     4.572   49.167   49.702
LGA    I    84_A      I    84_A     2.976     0    0.061   1.052     5.850   57.262   48.095
LGA    I    85_A      I    85_A     2.739     0    0.028   1.093     3.415   59.048   56.310
LGA    L    86_A      L    86_A     2.395     0    0.039   0.154     2.779   62.857   61.905
LGA    S    87_A      S    87_A     2.343     0    0.043   0.051     2.810   66.786   63.571
LGA    M    88_A      M    88_A     2.261     0    0.065   1.063     6.239   66.786   53.095
LGA    F    89_A      F    89_A     1.664     0    0.037   0.727     3.202   75.000   71.861
LGA    E    90_A      E    90_A     1.980     0    0.031   0.642     5.746   70.833   51.429
LGA    L    91_A      L    91_A     2.450     0    0.060   0.074     3.594   64.762   57.440
LGA    F    92_A      F    92_A     1.852     0    0.025   0.417     2.026   70.833   76.061
LGA    S    93_A      S    93_A     1.996     0    0.039   0.642     3.906   66.905   63.968
LGA    T    94_A      T    94_A     2.521     0    0.044   0.108     3.172   57.262   57.279
LGA    Q    95_A      Q    95_A     2.665     0    0.047   1.147     6.741   59.048   46.825
LGA    F    96_A      F    96_A     2.479     0    0.221   1.428    10.818   68.810   33.550
LGA    A    97_A      A    97_A     2.060     0    0.038   0.053     2.724   64.881   64.857
LGA    E    98_A      E    98_A     2.733     0    0.034   0.390     6.665   62.976   43.704
LGA    K    99_A      K    99_A     1.657     0    0.045   0.649     4.638   70.833   59.048
LGA    L   100_A      L   100_A     3.157     0    0.055   1.075     6.384   47.381   42.143
LGA    A   101_A      A   101_A     4.934     0    0.119   0.119     5.704   30.595   29.714
LGA    L   102_A      L   102_A     4.894     0    0.622   0.798     7.446   23.571   30.774
LGA    E   103_A      E   103_A     6.447     0    0.034   1.188    10.657   10.000   23.016
LGA    Y   104_A      Y   104_A    13.734     0    0.168   1.426    19.844    0.000    0.000
LGA    P   105_A      P   105_A    17.383     0    0.124   0.177    20.944    0.000    0.000
LGA    R   106_A      R   106_A    22.926     0    0.113   1.206    29.843    0.000    0.000
LGA    T   107_A      T   107_A    25.657     0    0.101   1.238    28.041    0.000    0.000
LGA    Y   108_A      Y   108_A    25.587     0    0.533   1.428    27.006    0.000    0.000
LGA    E   109_A      E   109_A    29.480     0    0.323   0.886    32.318    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):     5.826          5.832                  6.942           51.530   43.732

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0     81    2.63    56.422    53.446     2.967

LGA_LOCAL      RMSD:   2.630  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.371  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   5.826  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.605855 * X  +  -0.132142 * Y  +  -0.784524 * Z  +  23.899498
  Y_new =  -0.260732 * X  +   0.898669 * Y  +  -0.352721 * Z  + -24.922718
  Z_new =   0.751637 * X  +   0.418248 * Y  +   0.510010 * Z  + -36.746506 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.406397 -0.850541  0.686865   [DEG:  -23.2848  -48.7324   39.3545 ]
ZXZ: -1.148277  1.035600  1.063015   [DEG:  -65.7914   59.3355   60.9063 ]
 
# END of job
