
#######################################################
#                                                     #
#                        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  113 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  112 , 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       5_A - 113_A       4.63     6.25
  LCS_AVERAGE:     95.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      11_A - 36_A        1.97     7.27
  LCS_AVERAGE:     16.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      15_A - 30_A        1.00     8.63
  LCS_AVERAGE:      9.37

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     P     2_A     P     2_A      3    5   11      3    3    3    3    4    5    5    6    6    7    7    7    8    9   16   18   22   23   26   27 
LCS_GDT     M     3_A     M     3_A      4    6   19      3    3    5    5    5    6    8    9   14   16   20   23   23   26   33   36   39   43   60   67 
LCS_GDT     G     4_A     G     4_A      4    6   37      3    4    5    5    7    8   10   14   15   16   28   29   37   43   54   59   61   76   81   86 
LCS_GDT     L     5_A     L     5_A      4    6  109      3    4    5    5    7    8   10   14   15   17   28   38   44   49   60   65   69   77   92   95 
LCS_GDT     L     6_A     L     6_A      4    9  109      3    4    5    7    8    9   12   14   23   31   40   47   53   59   69   80   82   96  100  104 
LCS_GDT     P     7_A     P     7_A      7    9  109      4    6    6    7    9   10   18   26   35   45   56   65   74   90   98  102  106  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    9  109      4    6    6    7    9   14   25   36   46   57   67   81   91   99  102  105  106  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    9  109      4    6    6    8   17   29   43   50   68   82   92   97  101  104  104  105  106  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  109      4    6   13   24   37   50   67   81   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   26  109      4   14   22   31   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   26  109      4   18   22   29   46   56   69   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    13_A     T    13_A     12   26  109      4   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    14_A     T    14_A     12   26  109      4   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L    15_A     L    15_A     16   26  109      4   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     C    16_A     C    16_A     16   26  109      4   13   22   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     W    17_A     W    17_A     16   26  109      3   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G    18_A     G    18_A     16   26  109      4   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     S    19_A     S    19_A     16   26  109      4   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    20_A     T    20_A     16   26  109      4   18   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     K    21_A     K    21_A     16   26  109      7   18   25   37   47   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L    22_A     L    22_A     16   26  109      7   18   25   37   47   60   72   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     R    23_A     R    23_A     16   26  109      5   18   25   37   47   60   71   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    24_A     T    24_A     16   26  109      5   18   25   37   47   60   72   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     D    25_A     D    25_A     16   26  109      4   18   22   37   47   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     V    26_A     V    26_A     16   26  109      5   18   24   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     R    27_A     R    27_A     16   26  109      7   18   23   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     K    28_A     K    28_A     16   26  109      7   18   23   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     S    29_A     S    29_A     16   26  109      7   18   23   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     M    30_A     M    30_A     16   26  109      7   14   23   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     15   26  109      5   13   23   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     V    32_A     V    32_A     10   26  109      5   13   18   31   44   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     K    33_A     K    33_A     10   26  109      5   10   18   31   44   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     N    34_A     N    34_A     10   26  109      5    9   16   25   40   55   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    35_A     T    35_A     14   26  109      3   11   18   31   44   55   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     A    36_A     A    36_A     14   26  109      4   11   17   31   44   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     D    37_A     D    37_A     14   25  109      5   11   16   28   42   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     K    38_A     K    38_A     14   25  109      5   11   16   26   41   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     R    39_A     R    39_A     14   25  109      4   11   16   25   41   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L    40_A     L    40_A     14   21  109      4    8   16   25   33   59   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     V    41_A     V    41_A     14   21  109      4   11   16   25   38   59   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     I    42_A     I    42_A     14   21  109      4    7   16   25   33   57   72   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     R    43_A     R    43_A     14   21  109      5   11   16   25   38   59   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L    44_A     L    44_A     14   21  109      4    9   14   25   38   59   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G    45_A     G    45_A     14   21  109      5   11   16   26   39   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     I    46_A     I    46_A     14   21  109      5   11   16   26   39   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     14   21  109      4   11   18   26   46   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G    48_A     G    48_A     14   21  109      3   11   16   21   31   47   65   79   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     P    49_A     P    49_A     14   21  109      3    8   16   20   26   37   55   68   79   89   94   97  101  104  104  105  106  106  107  107 
LCS_GDT     G    50_A     G    50_A     11   21  109      3    6   13   21   32   54   65   76   86   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     F    51_A     F    51_A      5   19  109      3    5   20   31   46   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      6   14  109      3    6   16   30   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L    53_A     L    53_A      6   14  109      3    5   16   28   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     V    54_A     V    54_A      6    8  109      7   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G    55_A     G    55_A      6    8  109      3   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    56_A     T    56_A      6    8  109      3    5   11   21   41   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     D    57_A     D    57_A      6    8  109      3    5    6    8   13   20   41   55   72   84   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    8  109      3    4   10   20   28   40   53   75   87   91   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    7  109      5    7   11   14   28   32   40   53   67   89   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    7  109      4    7   14   25   41   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    8  109      3    4    6   20   30   47   68   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    62_A     T    62_A      5    8  109      3    5    6   16   30   46   67   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   18  109      3    5   16   20   38   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     Q    64_A     Q    64_A     13   18  109      3   11   19   24   42   57   72   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     A    65_A     A    65_A     13   20  109      3    5    5   19   26   33   51   77   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   22  109      7   14   22   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   22  109      3   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   22  109      3   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   22  109      4   13   22   30   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   22  109      4   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   22  109      5   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   22  109      7   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   22  109      7   14   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   22  109      7   18   24   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   22  109      7   18   22   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   22  109      7   18   22   31   46   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   22  109      4   15   22   31   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   22  109      4   10   22   28   37   49   65   76   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   22  109      5   15   22   37   47   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     C    80_A     C    80_A     12   22  109      7   18   22   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G    81_A     G    81_A     12   22  109      3    7   22   29   46   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     A    82_A     A    82_A     12   22  109      3    9   20   28   39   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     A    83_A     A    83_A     12   22  109      3   15   22   29   46   60   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   22  109      5   18   22   31   46   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   22  109      3   10   22   31   46   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   22  109      4   14   23   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   22  109      4   10   16   34   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   14  109      4   10   16   34   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   14  109      4    9   14   29   42   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   14  109      3    9   14   30   42   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   14  109      4    7   14   23   29   40   56   79   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     P    92_A     P    92_A      5   14  109      4    7   14   30   44   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     P    93_A     P    93_A      4   14  109      4    4    5    7   26   35   56   78   86   91   94   97  101  104  104  105  106  106  107  107 
LCS_GDT     G    94_A     G    94_A      4   14  109      4    4   14   20   29   33   50   67   79   87   94   98  101  104  104  105  106  106  107  107 
LCS_GDT     A    95_A     A    95_A      3   14  109      3    3    7   16   23   28   50   67   78   86   93   98  101  104  104  105  106  106  107  107 
LCS_GDT     H    96_A     H    96_A      3   14  109      3   11   16   25   34   51   68   78   85   91   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     N    97_A     N    97_A      3    5  109      3    3    4    6   16   31   37   47   61   71   82   91   99  102  104  105  106  106  107  107 
LCS_GDT     S    98_A     S    98_A      3    5  109      3    3   16   25   31   40   49   63   74   84   91   97  101  104  104  105  106  106  107  107 
LCS_GDT     N    99_A     N    99_A      4   12  109      3    4    4    8   27   37   40   51   67   84   90   97  101  104  104  105  106  106  107  107 
LCS_GDT     Q   100_A     Q   100_A      4   13  109      3    4    7   10   13   18   36   44   73   85   92   97  101  104  104  105  106  106  107  107 
LCS_GDT     P   101_A     P   101_A     11   13  109      3    6   14   27   42   58   72   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   13  109      5   13   14   31   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   13  109      5   13   14   27   45   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   13  109      5   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   13  109      6   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   13  109      6   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   13  109      6   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   13  109      6   13   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   13  109      4   18   22   33   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   13  109      7   15   22   33   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   13  109      7   18   23   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     G   112_A     G   112_A      6   13  109      4   18   25   37   47   61   73   85   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_GDT     S   113_A     S   113_A      3   13  109      3    3    4   10   35   43   69   81   87   92   95   98  101  104  104  105  106  106  107  107 
LCS_AVERAGE  LCS_A:  40.32  (   9.37   16.36   95.25 )

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      7     18     25     37     47     61     73     85     87     92     95     98    101    104    104    105    106    106    107    107 
GDT PERCENT_AT   6.25  16.07  22.32  33.04  41.96  54.46  65.18  75.89  77.68  82.14  84.82  87.50  90.18  92.86  92.86  93.75  94.64  94.64  95.54  95.54
GDT RMS_LOCAL    0.28   0.64   1.10   1.43   1.73   2.22   2.48   2.70   2.79   2.95   3.11   3.30   3.52   3.68   3.68   3.78   3.87   3.87   4.01   4.01
GDT RMS_ALL_AT   7.53  11.05   7.91   7.74   7.50   6.75   6.85   6.85   6.90   6.89   6.76   6.76   6.54   6.60   6.60   6.54   6.49   6.49   6.43   6.43

# Checking swapping
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  Y   110_A      Y   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    32.724     0    0.393   0.577    34.994    0.000    0.000
LGA    M     3_A      M     3_A    28.752     0    0.070   0.783    33.108    0.000    0.000
LGA    G     4_A      G     4_A    25.137     0    0.465   0.465    25.694    0.000    0.000
LGA    L     5_A      L     5_A    21.326     0    0.049   0.850    22.628    0.000    0.000
LGA    L     6_A      L     6_A    18.162     0    0.396   0.923    20.811    0.000    0.000
LGA    P     7_A      P     7_A    13.068     0    0.196   0.241    16.569    0.000    0.000
LGA    L     8_A      L     8_A    10.835     0    0.088   1.086    13.256    0.476    0.417
LGA    K     9_A      K     9_A     7.882     0    0.045   1.092     8.923    9.167   10.741
LGA    V    10_A      V    10_A     4.645     0    0.064   0.314     5.771   34.881   33.605
LGA    T    11_A      T    11_A     2.433     0    0.702   0.981     4.345   67.024   56.054
LGA    H    12_A      H    12_A     3.710     0    0.452   0.864    10.181   57.500   27.429
LGA    T    13_A      T    13_A     2.080     0    0.029   1.369     4.786   69.048   59.388
LGA    T    14_A      T    14_A     1.937     0    0.057   0.086     2.964   68.810   65.986
LGA    L    15_A      L    15_A     1.425     0    0.076   0.197     2.347   72.976   80.595
LGA    C    16_A      C    16_A     2.707     0    0.039   0.637     4.230   64.881   56.667
LGA    W    17_A      W    17_A     1.863     0    0.062   0.523     3.143   63.095   74.524
LGA    G    18_A      G    18_A     1.974     0    0.068   0.068     2.166   68.810   68.810
LGA    S    19_A      S    19_A     2.916     0    0.135   0.617     3.516   60.952   58.651
LGA    T    20_A      T    20_A     2.400     0    0.062   0.159     3.399   57.262   60.544
LGA    K    21_A      K    21_A     3.362     0    0.043   1.047     4.869   51.786   47.460
LGA    L    22_A      L    22_A     3.505     0    0.600   0.931     6.755   35.952   43.393
LGA    R    23_A      R    23_A     3.822     0    0.252   0.944     5.845   37.976   37.619
LGA    T    24_A      T    24_A     3.587     0    0.042   0.363     4.524   50.119   48.571
LGA    D    25_A      D    25_A     3.319     0    0.098   1.079     8.690   53.571   34.345
LGA    V    26_A      V    26_A     1.839     0    0.093   1.186     3.625   68.810   68.776
LGA    R    27_A      R    27_A     2.135     0    0.085   0.661     5.894   66.786   48.701
LGA    K    28_A      K    28_A     2.078     0    0.084   1.305     3.526   66.786   62.434
LGA    S    29_A      S    29_A     2.477     0    0.065   0.521     3.489   60.952   58.492
LGA    M    30_A      M    30_A     2.572     0    0.093   1.166     7.305   64.881   47.917
LGA    Q    31_A      Q    31_A     2.293     0    0.026   1.068     7.973   57.262   39.788
LGA    V    32_A      V    32_A     2.794     0    0.057   0.122     3.897   62.976   59.592
LGA    K    33_A      K    33_A     3.055     0    0.073   1.210     4.819   43.690   40.212
LGA    N    34_A      N    34_A     3.969     0    0.052   0.190     7.668   55.833   39.345
LGA    T    35_A      T    35_A     3.669     0    0.597   1.294     6.832   52.143   38.503
LGA    A    36_A      A    36_A     2.780     0    0.046   0.070     3.342   57.262   55.810
LGA    D    37_A      D    37_A     2.367     0    0.124   0.772     5.815   59.167   45.119
LGA    K    38_A      K    38_A     2.758     0    0.015   1.000     9.576   64.881   41.481
LGA    R    39_A      R    39_A     2.848     0    0.246   1.169     4.367   57.143   57.359
LGA    L    40_A      L    40_A     3.470     0    0.042   1.408     8.033   50.000   34.940
LGA    V    41_A      V    41_A     3.396     0    0.103   1.098     5.900   46.667   45.034
LGA    I    42_A      I    42_A     3.678     0    0.044   1.152     7.216   43.333   33.690
LGA    R    43_A      R    43_A     3.430     0    0.094   1.085     3.665   50.000   60.519
LGA    L    44_A      L    44_A     3.344     0    0.073   0.711     5.750   50.000   41.667
LGA    G    45_A      G    45_A     3.175     0    0.069   0.069     3.175   51.786   51.786
LGA    I    46_A      I    46_A     3.457     0    0.096   1.470     6.027   45.119   37.976
LGA    Q    47_A      Q    47_A     4.004     0    0.099   1.216     9.094   38.690   28.042
LGA    G    48_A      G    48_A     5.474     0    0.273   0.273     5.564   26.310   26.310
LGA    P    49_A      P    49_A     7.062     0    0.127   0.239     8.630   11.667    8.776
LGA    G    50_A      G    50_A     5.610     0    0.336   0.336     6.011   24.048   24.048
LGA    F    51_A      F    51_A     2.544     0    0.054   1.282     6.771   72.024   43.074
LGA    Q    52_A      Q    52_A     2.192     0    0.143   1.015    10.671   82.024   42.963
LGA    L    53_A      L    53_A     2.183     0    0.370   0.719     3.219   59.167   59.107
LGA    V    54_A      V    54_A     2.426     0    0.123   1.157     4.632   64.881   57.959
LGA    G    55_A      G    55_A     1.661     0    0.076   0.076     2.876   80.119   80.119
LGA    T    56_A      T    56_A     2.944     0    0.469   0.468     4.740   49.048   43.197
LGA    D    57_A      D    57_A     6.635     0    0.602   0.886     9.099   23.095   13.036
LGA    S    58_A      S    58_A     5.578     0    0.027   0.071     6.231   19.286   22.460
LGA    S    59_A      S    59_A     6.867     0    0.065   0.367     7.926   17.262   13.889
LGA    T    60_A      T    60_A     2.999     0    0.662   1.319     5.228   40.952   55.918
LGA    I    61_A      I    61_A     3.923     0    0.136   1.072     6.315   48.452   37.500
LGA    T    62_A      T    62_A     3.768     0    0.239   0.219     4.220   41.786   42.449
LGA    L    63_A      L    63_A     2.949     0    0.247   1.171     5.783   57.262   44.762
LGA    Q    64_A      Q    64_A     3.856     0    0.086   0.940     5.381   50.238   39.365
LGA    A    65_A      A    65_A     5.180     0    0.652   0.608     6.521   27.619   24.762
LGA    M    66_A      M    66_A     2.346     0    0.203   0.629     2.997   62.857   60.952
LGA    E    67_A      E    67_A     2.543     0    0.133   0.878     3.148   67.024   61.693
LGA    C    68_A      C    68_A     2.379     0    0.034   0.100     5.220   55.595   48.651
LGA    R    69_A      R    69_A     2.523     0    0.126   1.362     9.409   68.929   38.182
LGA    S    70_A      S    70_A     2.215     0    0.076   0.720     4.748   62.857   56.667
LGA    V    71_A      V    71_A     1.867     0    0.105   1.015     4.051   72.857   67.823
LGA    V    72_A      V    72_A     1.636     0    0.125   0.161     2.221   70.833   75.374
LGA    I    73_A      I    73_A     2.181     0    0.054   0.478     2.678   66.786   64.821
LGA    N    74_A      N    74_A     2.286     0    0.104   0.363     3.025   59.167   65.060
LGA    F    75_A      F    75_A     2.556     0    0.062   0.862     2.751   59.048   69.481
LGA    C    76_A      C    76_A     3.481     0    0.148   0.813     4.446   45.119   48.413
LGA    P    77_A      P    77_A     2.665     0    0.140   0.159     3.246   53.571   61.837
LGA    T    78_A      T    78_A     4.786     0    0.023   1.119     6.175   34.286   29.592
LGA    V    79_A      V    79_A     3.308     0    0.066   1.048     5.779   57.738   52.653
LGA    C    80_A      C    80_A     0.993     0    0.136   0.251     1.837   88.452   84.683
LGA    G    81_A      G    81_A     2.500     0    0.054   0.054     2.506   67.143   67.143
LGA    A    82_A      A    82_A     4.057     0    0.345   0.372     5.138   41.786   38.667
LGA    A    83_A      A    83_A     3.438     0    0.094   0.110     3.705   46.667   46.000
LGA    I    84_A      I    84_A     2.765     0    0.057   1.442     3.519   60.952   55.536
LGA    G    85_A      G    85_A     2.479     0    0.074   0.074     2.627   66.905   66.905
LGA    A    86_A      A    86_A     1.491     0    0.031   0.058     1.986   79.286   79.714
LGA    L    87_A      L    87_A     1.479     0    0.093   0.226     3.273   81.429   68.452
LGA    S    88_A      S    88_A     1.477     0    0.055   0.763     2.407   77.143   75.794
LGA    F    89_A      F    89_A     2.782     0    0.114   0.690     6.229   57.262   43.117
LGA    Y    90_A      Y    90_A     2.541     0    0.110   1.182     9.699   51.905   35.040
LGA    A    91_A      A    91_A     5.030     0    0.119   0.186     7.581   35.952   30.190
LGA    P    92_A      P    92_A     2.213     0    0.054   0.050     6.456   42.262   39.796
LGA    P    93_A      P    93_A     6.056     0    0.656   0.596     6.423   23.214   26.395
LGA    G    94_A      G    94_A     7.519     0    0.528   0.528     7.996    9.643    9.643
LGA    A    95_A      A    95_A     8.926     0    0.400   0.383     9.591    3.214    2.667
LGA    H    96_A      H    96_A     6.598     0    0.122   1.140    10.818   12.738   10.238
LGA    N    97_A      N    97_A    11.662     0    0.581   1.202    16.858    0.000    0.000
LGA    S    98_A      S    98_A     9.685     0    0.615   0.551     9.995    1.786    1.746
LGA    N    99_A      N    99_A     9.554     0    0.056   0.873    11.675    0.357    0.238
LGA    Q   100_A      Q   100_A     9.009     0    0.224   0.410    14.362    7.738    3.439
LGA    P   101_A      P   101_A     3.844     0    0.103   0.327     6.102   29.762   29.388
LGA    G   102_A      G   102_A     2.561     0    0.393   0.393     3.998   55.595   55.595
LGA    L   103_A      L   103_A     2.781     0    0.062   0.958     6.121   62.976   52.619
LGA    E   104_A      E   104_A     1.382     0    0.051   0.641     4.718   77.143   59.683
LGA    I   105_A      I   105_A     0.610     0    0.047   0.647     2.093   92.857   88.452
LGA    P   106_A      P   106_A     0.705     0    0.164   0.444     1.896   92.857   88.027
LGA    L   107_A      L   107_A     0.396     0    0.257   1.304     3.463   95.357   84.524
LGA    Y   108_A      Y   108_A     0.631     0    0.122   0.301     1.771   90.476   88.333
LGA    G   109_A      G   109_A     1.447     0    0.210   0.210     2.118   75.119   75.119
LGA    Y   110_A      Y   110_A     1.512     0    0.112   1.500    11.614   77.143   39.960
LGA    G   111_A      G   111_A     0.730     0    0.040   0.040     1.644   83.810   83.810
LGA    G   112_A      G   112_A     2.502     0    0.194   0.194     3.401   61.190   61.190
LGA    S   113_A      S   113_A     4.784     0    0.612   0.557     8.739   43.690   31.270

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     6.064          5.968                  6.404           49.680   44.699

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     85    2.70    54.688    48.313     3.034

LGA_LOCAL      RMSD:   2.702  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.851  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   6.064  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.565385 * X  +  -0.754861 * Y  +   0.332453 * Z  +   6.525512
  Y_new =  -0.578760 * X  +  -0.075887 * Y  +   0.811959 * Z  + -60.410973
  Z_new =  -0.587687 * X  +  -0.651480 * Y  +  -0.479789 * Z  +  14.879592 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.797088  0.628197 -2.205575   [DEG:  -45.6698   35.9931 -126.3702 ]
ZXZ:  2.752970  2.071211 -2.407629   [DEG:  157.7336  118.6716 -137.9470 ]
 
# END of job
