
#######################################################
#                                                     #
#                        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:   110       4_A - 113_A       4.86     5.58
  LCS_AVERAGE:     97.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      11_A - 36_A        1.94     6.68
  LONGEST_CONTINUOUS_SEGMENT:    26      13_A - 38_A        1.97     6.18
  LONGEST_CONTINUOUS_SEGMENT:    26      14_A - 39_A        2.00     5.98
  LCS_AVERAGE:     16.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      15_A - 29_A        0.97     8.43
  LONGEST_CONTINUOUS_SEGMENT:    15      16_A - 30_A        0.99     8.22
  LCS_AVERAGE:      9.06

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      6    7   39      3    4    5    7    7    7    8    9   13   13   27   34   37   42   43   47   49   75   78   90 
LCS_GDT     M     3_A     M     3_A      6    8   41      3    4    6    7    7    9   13   17   28   34   42   49   53   65   70   77   88   95   99  105 
LCS_GDT     G     4_A     G     4_A      6    8  110      3    4    6    7    7   10   14   17   27   33   38   48   53   63   70   74   80   95   97  104 
LCS_GDT     L     5_A     L     5_A      6    9  110      3    4    6    7    7   10   20   25   28   35   42   49   56   65   70   80   88   95  103  105 
LCS_GDT     L     6_A     L     6_A      6    9  110      3    4    6    7    7   10   14   25   27   36   42   50   56   65   73   80   90   98  103  105 
LCS_GDT     P     7_A     P     7_A      7    9  110      3    5    7    7    8   11   20   28   38   49   59   67   77   92   99  102  105  106  107  107 
LCS_GDT     L     8_A     L     8_A      7    9  110      3    5    7    7    8   17   24   36   45   55   61   75   88   98  103  104  105  106  107  107 
LCS_GDT     K     9_A     K     9_A      7    9  110      3    5    7    8   18   27   37   49   63   80   92   97  100  103  104  105  105  106  107  107 
LCS_GDT     V    10_A     V    10_A      7   24  110      3    5   10   22   34   47   66   81   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    11_A     T    11_A      7   26  110      3    5   21   31   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     H    12_A     H    12_A     11   26  110      5   12   22   32   44   58   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    13_A     T    13_A     11   26  110      5   12   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    14_A     T    14_A     11   26  110      5   12   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L    15_A     L    15_A     15   26  110      5   12   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     C    16_A     C    16_A     15   26  110      5   12   23   33   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     W    17_A     W    17_A     15   26  110      5   13   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G    18_A     G    18_A     15   26  110      5   14   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     S    19_A     S    19_A     15   26  110      5   14   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    20_A     T    20_A     15   26  110      5   14   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     K    21_A     K    21_A     15   26  110      9   17   23   36   47   59   75   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L    22_A     L    22_A     15   26  110      9   17   23   36   47   59   75   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     R    23_A     R    23_A     15   26  110      4   17   23   36   47   59   74   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    24_A     T    24_A     15   26  110      5   17   23   36   47   59   75   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     D    25_A     D    25_A     15   26  110      4   17   23   32   47   59   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     V    26_A     V    26_A     15   26  110      9   17   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     R    27_A     R    27_A     15   26  110      9   17   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     K    28_A     K    28_A     15   26  110      5   17   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     S    29_A     S    29_A     15   26  110      4   14   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     M    30_A     M    30_A     15   26  110      4   13   22   31   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     Q    31_A     Q    31_A     14   26  110      4   13   22   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     V    32_A     V    32_A      9   26  110      4   12   17   31   42   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     K    33_A     K    33_A      9   26  110      4   12   17   31   42   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     N    34_A     N    34_A      9   26  110      3    9   14   25   40   58   75   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    35_A     T    35_A     13   26  110      3    5   17   31   42   58   75   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     A    36_A     A    36_A     13   26  110      3    8   17   31   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     D    37_A     D    37_A     13   26  110      5    8   16   30   46   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     K    38_A     K    38_A     13   26  110      5    8   16   30   46   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     R    39_A     R    39_A     13   26  110      5    8   16   22   42   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L    40_A     L    40_A     13   20  110      4    6   16   20   37   60   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     V    41_A     V    41_A     13   20  110      4    8   16   28   41   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     I    42_A     I    42_A     13   20  110      4    9   16   25   37   59   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     R    43_A     R    43_A     13   20  110      5    9   16   28   40   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L    44_A     L    44_A     13   20  110      4    9   15   28   41   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G    45_A     G    45_A     13   20  110      5    9   16   28   41   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     I    46_A     I    46_A     13   20  110      4    9   16   27   41   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     Q    47_A     Q    47_A     13   20  110      3    9   16   25   43   59   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G    48_A     G    48_A     13   20  110      3    9   16   25   31   49   67   81   87   91   94   97  101  103  104  105  105  106  107  107 
LCS_GDT     P    49_A     P    49_A      9   20  110      3    9   16   19   25   40   57   68   80   90   94   97  101  103  104  105  105  106  107  107 
LCS_GDT     G    50_A     G    50_A      9   20  110      3    8   14   19   34   51   66   77   86   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     F    51_A     F    51_A      5   19  110      3    4   16   32   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     Q    52_A     Q    52_A      4   14  110      3    9   16   34   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L    53_A     L    53_A      5   14  110      3    9   16   30   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     V    54_A     V    54_A      5    8  110      4   13   22   36   47   61   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G    55_A     G    55_A      5    8  110      3   11   22   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    56_A     T    56_A      5    8  110      3    5    8   18   39   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     D    57_A     D    57_A      5    8  110      3    5    7    9   15   34   40   56   73   82   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     S    58_A     S    58_A      4    8  110      4    5   10   21   29   41   50   70   83   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     S    59_A     S    59_A      4    7  110      3    7   12   16   27   33   40   58   69   87   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    60_A     T    60_A      4    7  110      4   11   16   28   42   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     I    61_A     I    61_A      4    9  110      3    4   11   20   34   49   71   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    62_A     T    62_A      5    9  110      3    5    8   16   31   49   69   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L    63_A     L    63_A      5   19  110      3    5   16   20   43   61   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     Q    64_A     Q    64_A     11   21  110      3   10   21   24   44   59   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     A    65_A     A    65_A     12   22  110      3    5    5   23   26   37   55   82   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     M    66_A     M    66_A     14   23  110      4   13   21   36   47   61   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     E    67_A     E    67_A     14   23  110      4   13   22   36   47   61   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     C    68_A     C    68_A     14   23  110      5   13   22   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     R    69_A     R    69_A     14   23  110      4   13   21   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     S    70_A     S    70_A     14   23  110      4   13   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     V    71_A     V    71_A     14   23  110      4   13   22   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     V    72_A     V    72_A     14   23  110      4   13   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     I    73_A     I    73_A     14   23  110      4   14   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     N    74_A     N    74_A     14   23  110      4   14   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     F    75_A     F    75_A     14   23  110      4   17   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     C    76_A     C    76_A     14   23  110      9   17   23   32   47   59   75   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     P    77_A     P    77_A     14   23  110      4   17   23   32   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     T    78_A     T    78_A     14   23  110      4   14   23   28   36   48   68   80   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     V    79_A     V    79_A     14   23  110      4   17   23   36   47   60   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     C    80_A     C    80_A     12   23  110      9   17   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G    81_A     G    81_A     12   23  110      3    8   23   32   44   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     A    82_A     A    82_A     12   23  110      3   10   21   28   41   61   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     A    83_A     A    83_A     12   23  110      3   14   23   32   43   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     I    84_A     I    84_A      8   23  110      4   14   22   32   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G    85_A     G    85_A      8   23  110      4   11   22   32   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     A    86_A     A    86_A      8   23  110      4   14   22   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L    87_A     L    87_A      8   23  110      4   11   17   35   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     S    88_A     S    88_A      8   23  110      4   11   22   35   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     F    89_A     F    89_A      8   13  110      4   11   16   25   44   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     Y    90_A     Y    90_A      8   13  110      3   11   16   30   46   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     A    91_A     A    91_A      8   13  110      4    8   15   21   29   40   64   80   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     P    92_A     P    92_A      6   13  110      4    7   16   30   46   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     P    93_A     P    93_A      5   13  110      4    4    5    8   11   28   54   75   85   91   94   97  100  103  104  105  105  106  107  107 
LCS_GDT     G    94_A     G    94_A      5   12  110      4    8   15   21   29   35   52   69   79   89   94   97  101  103  104  105  105  106  107  107 
LCS_GDT     A    95_A     A    95_A      3   12  110      3    3    6    9   22   33   52   68   79   89   93   97  101  103  104  105  105  106  107  107 
LCS_GDT     H    96_A     H    96_A      3    5  110      3    5   16   24   40   59   73   81   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     N    97_A     N    97_A      3    5  110      3    3    5    7   23   27   37   47   64   72   85   93   98  102  104  105  105  106  107  107 
LCS_GDT     S    98_A     S    98_A      3    5  110      3    3   16   23   32   40   50   64   77   85   92   97  100  103  104  105  105  106  107  107 
LCS_GDT     N    99_A     N    99_A      4   13  110      3    4    5    9   29   35   41   52   65   84   91   97  101  103  104  105  105  106  107  107 
LCS_GDT     Q   100_A     Q   100_A      4   13  110      3    4    7   10   15   20   32   49   62   84   91   97  101  103  104  105  105  106  107  107 
LCS_GDT     P   101_A     P   101_A     11   13  110      3    9   14   25   44   59   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G   102_A     G   102_A     11   13  110      4   11   21   35   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L   103_A     L   103_A     11   13  110      5   12   16   27   44   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     E   104_A     E   104_A     11   13  110      5   11   22   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     I   105_A     I   105_A     11   13  110      5   12   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     P   106_A     P   106_A     11   13  110      5   11   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     L   107_A     L   107_A     11   13  110      5   11   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     Y   108_A     Y   108_A     11   13  110      5   11   22   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G   109_A     G   109_A     11   13  110      4   17   23   32   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     Y   110_A     Y   110_A     11   13  110      9   17   23   32   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G   111_A     G   111_A     11   13  110      9   17   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     G   112_A     G   112_A      6   13  110      9   17   23   36   47   62   76   85   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_GDT     S   113_A     S   113_A      3   13  110      3    3    6   11   19   39   57   81   87   91   95   97  101  103  104  105  105  106  107  107 
LCS_AVERAGE  LCS_A:  40.90  (   9.06   16.54   97.10 )

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     17     23     36     47     62     76     85     87     91     95     97    101    103    104    105    105    106    107    107 
GDT PERCENT_AT   8.04  15.18  20.54  32.14  41.96  55.36  67.86  75.89  77.68  81.25  84.82  86.61  90.18  91.96  92.86  93.75  93.75  94.64  95.54  95.54
GDT RMS_LOCAL    0.33   0.63   0.91   1.47   1.74   2.24   2.48   2.64   2.72   2.87   3.07   3.15   3.46   3.59   3.63   3.73   3.73   3.84   3.97   3.97
GDT RMS_ALL_AT  13.84  12.10  11.89   7.08   7.20   6.12   6.25   6.30   6.19   6.38   6.22   6.29   6.16   6.04   6.08   6.01   6.01   5.96   5.89   5.89

# 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:  E   104_A      E   104_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    27.973     0    0.396   0.433    30.618    0.000    0.000
LGA    M     3_A      M     3_A    23.587     0    0.067   0.956    25.819    0.000    0.000
LGA    G     4_A      G     4_A    22.348     0    0.122   0.122    22.348    0.000    0.000
LGA    L     5_A      L     5_A    19.942     0    0.130   0.967    20.701    0.000    0.000
LGA    L     6_A      L     6_A    17.840     0    0.251   0.997    22.009    0.000    0.000
LGA    P     7_A      P     7_A    12.869     0    0.198   0.419    15.899    0.000    0.000
LGA    L     8_A      L     8_A    11.085     0    0.112   1.028    13.734    0.238    0.179
LGA    K     9_A      K     9_A     8.068     0    0.035   1.407     9.649    8.214    5.608
LGA    V    10_A      V    10_A     4.910     0    0.074   0.352     6.001   32.262   30.476
LGA    T    11_A      T    11_A     2.456     0    0.723   0.957     4.037   67.024   57.959
LGA    H    12_A      H    12_A     3.364     0    0.457   1.530    10.975   61.190   30.143
LGA    T    13_A      T    13_A     2.089     0    0.037   1.361     4.986   69.048   59.388
LGA    T    14_A      T    14_A     1.921     0    0.051   0.076     3.296   68.810   62.789
LGA    L    15_A      L    15_A     1.422     0    0.066   0.240     2.336   72.976   80.595
LGA    C    16_A      C    16_A     2.643     0    0.046   0.636     4.103   66.905   58.016
LGA    W    17_A      W    17_A     1.566     0    0.075   0.583     3.061   63.095   76.973
LGA    G    18_A      G    18_A     2.082     0    0.104   0.104     2.115   70.952   70.952
LGA    S    19_A      S    19_A     2.809     0    0.120   0.616     3.425   62.976   61.111
LGA    T    20_A      T    20_A     2.353     0    0.062   0.152     3.366   57.262   60.544
LGA    K    21_A      K    21_A     3.346     0    0.032   0.707     6.010   51.786   37.249
LGA    L    22_A      L    22_A     3.580     0    0.601   0.938     6.816   34.524   42.679
LGA    R    23_A      R    23_A     3.755     0    0.251   1.229     7.612   37.976   27.619
LGA    T    24_A      T    24_A     3.560     0    0.049   0.277     4.645   50.119   48.571
LGA    D    25_A      D    25_A     3.336     0    0.104   0.485     5.853   53.571   41.310
LGA    V    26_A      V    26_A     1.777     0    0.094   0.235     2.351   68.810   75.510
LGA    R    27_A      R    27_A     2.139     0    0.083   0.582     4.318   66.786   53.853
LGA    K    28_A      K    28_A     2.085     0    0.106   0.701     2.141   66.786   68.360
LGA    S    29_A      S    29_A     2.429     0    0.074   0.552     3.590   60.952   57.381
LGA    M    30_A      M    30_A     2.610     0    0.077   1.361     8.558   64.881   45.833
LGA    Q    31_A      Q    31_A     2.183     0    0.040   1.010     7.017   57.262   39.101
LGA    V    32_A      V    32_A     2.877     0    0.071   0.074     4.156   62.976   56.599
LGA    K    33_A      K    33_A     3.030     0    0.064   1.275     6.694   43.690   33.439
LGA    N    34_A      N    34_A     3.888     0    0.054   0.274     8.163   57.976   39.464
LGA    T    35_A      T    35_A     3.535     0    0.590   1.292     6.670   54.167   39.660
LGA    A    36_A      A    36_A     2.463     0    0.050   0.067     3.140   61.071   58.857
LGA    D    37_A      D    37_A     1.863     0    0.111   0.332     3.279   65.119   62.143
LGA    K    38_A      K    38_A     2.347     0    0.024   0.763     5.810   68.810   53.915
LGA    R    39_A      R    39_A     2.776     0    0.236   1.362     4.499   57.143   54.416
LGA    L    40_A      L    40_A     3.455     0    0.066   1.099     5.489   50.000   41.607
LGA    V    41_A      V    41_A     3.204     0    0.106   0.101     3.682   48.333   49.048
LGA    I    42_A      I    42_A     3.614     0    0.039   1.175     7.678   48.333   35.060
LGA    R    43_A      R    43_A     3.238     0    0.061   1.148     3.443   50.000   59.784
LGA    L    44_A      L    44_A     3.181     0    0.076   0.363     4.666   50.000   46.012
LGA    G    45_A      G    45_A     3.143     0    0.056   0.056     3.143   51.786   51.786
LGA    I    46_A      I    46_A     3.326     0    0.100   1.742     6.003   46.667   41.071
LGA    Q    47_A      Q    47_A     4.074     0    0.078   0.891     7.160   38.690   31.111
LGA    G    48_A      G    48_A     5.455     0    0.282   0.282     5.528   26.310   26.310
LGA    P    49_A      P    49_A     7.011     0    0.136   0.248     8.589   11.667    8.776
LGA    G    50_A      G    50_A     5.649     0    0.347   0.347     6.011   24.048   24.048
LGA    F    51_A      F    51_A     2.466     0    0.058   1.269     7.013   73.929   43.463
LGA    Q    52_A      Q    52_A     2.146     0    0.127   1.490    10.561   79.643   43.598
LGA    L    53_A      L    53_A     2.165     0    0.408   0.385     3.903   59.167   53.810
LGA    V    54_A      V    54_A     2.727     0    0.112   1.174     4.682   59.048   52.585
LGA    G    55_A      G    55_A     1.874     0    0.069   0.069     3.025   73.690   73.690
LGA    T    56_A      T    56_A     3.368     0    0.448   0.425     5.094   43.929   37.891
LGA    D    57_A      D    57_A     6.908     0    0.592   1.358    10.091   20.833   11.369
LGA    S    58_A      S    58_A     5.989     0    0.042   0.716     6.650   17.262   20.238
LGA    S    59_A      S    59_A     6.747     0    0.077   0.746     8.894   17.262   13.175
LGA    T    60_A      T    60_A     2.908     0    0.663   1.316     5.192   42.619   56.871
LGA    I    61_A      I    61_A     3.803     0    0.145   1.099     6.301   48.452   37.500
LGA    T    62_A      T    62_A     3.704     0    0.240   0.224     4.107   41.786   42.449
LGA    L    63_A      L    63_A     2.928     0    0.235   1.178     5.858   57.262   45.417
LGA    Q    64_A      Q    64_A     3.663     0    0.085   1.123     7.973   52.143   34.656
LGA    A    65_A      A    65_A     5.018     0    0.649   0.607     6.308   29.048   26.667
LGA    M    66_A      M    66_A     2.447     0    0.255   0.580     3.378   62.857   57.321
LGA    E    67_A      E    67_A     2.480     0    0.147   0.992     3.221   70.952   62.540
LGA    C    68_A      C    68_A     2.218     0    0.046   0.713     6.330   59.167   50.635
LGA    R    69_A      R    69_A     2.183     0    0.085   0.934     9.435   72.976   42.338
LGA    S    70_A      S    70_A     1.951     0    0.083   0.719     4.704   66.905   59.365
LGA    V    71_A      V    71_A     1.807     0    0.118   1.036     4.346   72.857   66.599
LGA    V    72_A      V    72_A     1.552     0    0.125   0.144     2.084   70.833   76.667
LGA    I    73_A      I    73_A     2.214     0    0.070   0.754     2.594   68.810   64.881
LGA    N    74_A      N    74_A     2.324     0    0.090   0.286     2.988   60.952   65.893
LGA    F    75_A      F    75_A     2.589     0    0.052   0.829     2.784   59.048   67.186
LGA    C    76_A      C    76_A     3.519     0    0.159   0.183     4.600   42.024   40.397
LGA    P    77_A      P    77_A     2.783     0    0.110   0.150     3.314   53.571   60.680
LGA    T    78_A      T    78_A     4.742     0    0.023   1.124     6.069   34.286   29.592
LGA    V    79_A      V    79_A     3.140     0    0.065   1.039     5.417   59.762   54.490
LGA    C    80_A      C    80_A     0.775     0    0.053   0.065     1.616   86.071   81.667
LGA    G    81_A      G    81_A     2.670     0    0.057   0.057     2.680   67.143   67.143
LGA    A    82_A      A    82_A     4.078     0    0.329   0.348     5.153   41.786   38.667
LGA    A    83_A      A    83_A     3.415     0    0.084   0.102     3.698   46.667   46.000
LGA    I    84_A      I    84_A     2.747     0    0.043   1.241     3.466   60.952   59.226
LGA    G    85_A      G    85_A     2.343     0    0.078   0.078     2.530   69.048   69.048
LGA    A    86_A      A    86_A     1.230     0    0.029   0.054     1.776   81.548   81.524
LGA    L    87_A      L    87_A     1.331     0    0.089   0.290     2.797   81.548   73.214
LGA    S    88_A      S    88_A     1.444     0    0.050   0.740     2.530   77.143   74.524
LGA    F    89_A      F    89_A     2.763     0    0.117   0.808     6.129   57.262   43.766
LGA    Y    90_A      Y    90_A     2.480     0    0.119   1.221    10.304   53.810   33.849
LGA    A    91_A      A    91_A     4.917     0    0.091   0.125     7.592   38.810   32.476
LGA    P    92_A      P    92_A     2.159     0    0.068   0.072     6.380   42.262   38.095
LGA    P    93_A      P    93_A     6.251     0    0.656   0.589     6.831   22.143   23.605
LGA    G    94_A      G    94_A     7.319     0    0.527   0.527     7.675   10.357   10.357
LGA    A    95_A      A    95_A     8.557     0    0.399   0.383     9.461    5.714    4.857
LGA    H    96_A      H    96_A     5.417     0    0.182   1.170     7.053   18.690   26.714
LGA    N    97_A      N    97_A    11.227     0    0.584   0.818    17.166    0.357    0.179
LGA    S    98_A      S    98_A     9.361     0    0.616   0.766     9.626    2.381    3.254
LGA    N    99_A      N    99_A     9.238     0    0.038   0.779    11.982    1.071    0.893
LGA    Q   100_A      Q   100_A     8.942     0    0.262   0.853    14.909    8.095    3.598
LGA    P   101_A      P   101_A     3.583     0    0.108   0.310     5.967   32.381   33.197
LGA    G   102_A      G   102_A     2.260     0    0.405   0.405     3.784   59.524   59.524
LGA    L   103_A      L   103_A     2.778     0    0.069   0.183     4.783   64.881   51.964
LGA    E   104_A      E   104_A     1.480     0    0.069   1.158     5.211   75.119   65.344
LGA    I   105_A      I   105_A     0.642     0    0.057   0.160     1.428   90.476   88.214
LGA    P   106_A      P   106_A     0.858     0    0.155   0.438     2.360   90.476   84.218
LGA    L   107_A      L   107_A     0.329     0    0.265   1.315     3.200   95.357   85.655
LGA    Y   108_A      Y   108_A     0.598     0    0.115   0.335     1.932   90.476   88.333
LGA    G   109_A      G   109_A     1.419     0    0.208   0.208     2.031   75.119   75.119
LGA    Y   110_A      Y   110_A     1.446     0    0.103   1.541    12.020   83.690   41.865
LGA    G   111_A      G   111_A     0.713     0    0.043   0.043     1.518   83.810   83.810
LGA    G   112_A      G   112_A     2.321     0    0.209   0.209     3.638   59.524   59.524
LGA    S   113_A      S   113_A     5.201     0    0.292   0.334     8.855   35.952   25.635

# 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):     5.488          5.425                  5.945           50.106   45.110

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     85    2.64    54.241    48.195     3.098

LGA_LOCAL      RMSD:   2.644  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.296  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   5.488  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.582162 * X  +  -0.742502 * Y  +   0.331328 * Z  +   6.137979
  Y_new =  -0.573789 * X  +  -0.086459 * Y  +   0.814427 * Z  + -59.963100
  Z_new =  -0.576067 * X  +  -0.664241 * Y  +  -0.476373 * Z  +  15.649905 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.778155  0.613909 -2.192952   [DEG:  -44.5850   35.1744 -125.6469 ]
ZXZ:  2.755218  2.067321 -2.427166   [DEG:  157.8623  118.4488 -139.0663 ]
 
# END of job
