
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      37_B - 115_B       4.99     6.49
  LONGEST_CONTINUOUS_SEGMENT:    79      38_B - 116_B       5.00     6.51
  LCS_AVERAGE:     57.41

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      70_B - 110_B       1.98     6.93
  LCS_AVERAGE:     18.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      91_B - 104_B       0.95     6.68
  LCS_AVERAGE:      6.27

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      3    4   20      0    3    3    7   10   14   17   18   19   20   21   34   41   45   52   70   83   86   90   96 
LCS_GDT     K     3_C     K     3_B      3    4   20      3    3    3    3   10   14   17   20   20   26   28   34   41   45   63   69   74   81   92   94 
LCS_GDT     S     4_C     S     4_B      3    4   27      3    3    3    3   10   17   17   20   29   33   38   61   66   85   90   91   93   93   96  105 
LCS_GDT     K     5_C     K     5_B      3    4   28      3    3    3    7   11   15   36   50   68   78   82   85   88   92   94   98  101  103  105  106 
LCS_GDT     M     6_C     M     6_B      3    4   40      3    3    3    4    6   12   36   45   53   61   81   85   88   92   94   98  101  103  105  106 
LCS_GDT     L     7_C     L     7_B      3    4   40      3    3    3    5   11   27   38   58   68   78   82   85   88   92   94   98  101  103  105  106 
LCS_GDT     S     8_C     S     8_B      3    8   40      3    7   13   40   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     N     9_C     N     9_B      6    8   40      3   10   21   40   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    10_C     I    10_B      6    8   40      4    7   16   31   51   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     V    11_C     V    11_B      6    8   40      4   11   37   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    12_C     I    12_B      6    8   40     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     Q    13_C     Q    13_B      6    8   40      4   16   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     E    14_C     E    14_B      6    8   40      3   11   33   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     V    15_C     V    15_B      5    8   40      5    8   14   20   31   51   65   70   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     K    16_C     K    16_B      5    8   40      3    5   11   14   42   55   65   71   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     F    17_C     F    17_B      5    8   40      3    3    7   20   31   46   60   67   72   78   81   85   90   92   94   98  101  103  105  106 
LCS_GDT     A    18_C     A    18_B      3    8   40      3    3    7   14   26   31   47   57   67   75   78   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    19_C     I    19_B      3    4   40      3    3    3    4    4    5    6    6   40   44   65   73   84   85   94   97   99  101  105  106 
LCS_GDT     E    20_C     E    20_B      3    6   40      3    3    3    7    9   13   19   31   50   61   74   80   90   92   94   98  101  103  105  106 
LCS_GDT     D    21_C     D    21_B      5    6   40      3    5    6    7    9   13   20   37   55   66   76   85   90   92   94   98  101  103  105  106 
LCS_GDT     Y    22_C     Y    22_B      5    6   40      3    5    6    6    7   11   16   19   22   31   39   74   82   89   94   97   99  103  105  106 
LCS_GDT     C    23_C     C    23_B      5    6   40      3    5    6    6    9   13   22   41   57   70   78   85   90   92   94   98  101  103  105  106 
LCS_GDT     A    24_C     A    24_B      5    8   40      3    8   16   34   46   57   67   71   76   79   81   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    25_C     I    25_B      7    8   40      3   19   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    26_C     L    26_B      7    8   40     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     S    27_C     S    27_B      7    8   40     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     F    28_C     F    28_B      7    8   40     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     A    29_C     A    29_B      7    8   40     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     S    30_C     S    30_B      7   10   40     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     D    31_C     D    31_B      7   10   40      3    8   15   26   46   53   66   71   75   78   81   85   90   92   94   98  101  103  105  106 
LCS_GDT     S    32_C     S    32_B      3   10   40      3    3    7   15   21   29   39   56   65   73   79   82   90   92   94   98  101  103  105  106 
LCS_GDT     Y    33_C     Y    33_B      3   10   40      3    3    7    7   21   29   44   60   67   74   79   85   90   92   94   98  101  103  105  106 
LCS_GDT     E    34_C     E    34_B      4   10   40      3    4    5    8    9   14   16   20   28   45   60   74   80   85   88   93   94   98  100  103 
LCS_GDT     V    35_C     V    35_B      4   10   40      3    4    7   11   17   22   33   46   60   70   76   82   85   92   94   97   99  102  105  106 
LCS_GDT     P    36_C     P    36_B      4   10   40      3    4   15   20   25   42   54   67   74   77   79   85   90   92   94   98  101  103  105  106 
LCS_GDT     E    37_C     E    37_B      4   10   79      4    8   13   26   41   52   67   71   75   78   81   85   90   92   94   98  101  103  105  106 
LCS_GDT     Q    38_C     Q    38_B      6   10   79      4   10   35   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     Y    39_C     Y    39_B      6   10   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     F    40_C     F    40_B      6    9   79      6   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    41_C     I    41_B      6    9   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    42_C     I    42_B      6    9   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     T    43_C     T    43_B      6    9   79     10   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     R    44_C     R    44_B      6    9   79      3    4   14   41   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     S    45_C     S    45_B      4    9   79      3    3    6    8   11   30   43   58   69   75   80   85   88   92   94   98  101  103  105  106 
LCS_GDT     T    46_C     T    46_B      4    9   79      3    4    6    8   10   15   23   39   55   66   80   83   87   90   94   98  101  103  105  106 
LCS_GDT     T    47_C     T    47_B      3    9   79      0    3    4    8    9   11   22   28   54   74   80   85   88   90   94   98  101  103  105  106 
LCS_GDT     E    48_C     E    48_B      3    7   79      3    3    9   15   22   44   53   60   68   75   82   85   88   90   93   94   97  101  102  105 
LCS_GDT     R    49_C     R    49_B      4    7   79      4    7   10   14   27   34   53   60   68   75   77   83   87   90   93   94   95   98  102  105 
LCS_GDT     S    50_C     S    50_B      4    6   79      4    4    5    5    7   10   13   50   54   56   69   71   80   84   88   91   95   96   97   99 
LCS_GDT     G    51_C     G    51_B      4    6   79      4    4    5    5    6    8   10   11   13   44   52   55   68   76   82   86   91   95   97  101 
LCS_GDT     G    52_C     G    52_B      4    6   79      4    4    9   12   13   18   24   27   40   46   52   56   73   82   83   89   92   96   98  102 
LCS_GDT     I    53_C     I    53_B      4    6   79      4    4    6    8   17   22   28   33   46   53   60   74   78   84   91   94   99  100  104  105 
LCS_GDT     P    54_C     P    54_B      4    6   79      4    4    5    7   17   22   28   34   60   63   70   76   83   91   94   97   99  102  104  106 
LCS_GDT     E    55_C     E    55_B      4    6   79      4    4    5    5   10   22   36   49   61   70   76   80   87   92   94   97   99  103  105  106 
LCS_GDT     G    56_C     G    56_B      4    6   79      4    4    4    5   14   27   40   53   63   73   78   85   90   92   94   97  101  103  105  106 
LCS_GDT     D    57_C     D    57_B      4    9   79      4    4    4   12   26   39   55   66   72   77   81   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    58_C     I    58_B      5   10   79      4    5    9   27   46   57   65   72   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     Y    59_C     Y    59_B      6   10   79     10   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    60_C     L    60_B      6   10   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     E    61_C     E    61_B      6   10   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     S    62_C     S    62_B      6   10   79      6   19   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     N    63_C     N    63_B      6   10   79      3   15   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    64_C     L    64_B      6   10   79      3   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     F    65_C     F    65_B      5   10   79      3    8   19   32   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    66_C     L    66_B      5   10   79      3    5   11   23   39   55   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     D    67_C     D    67_B      5   10   79      3    5    5    7   19   28   47   61   72   79   82   85   88   92   93   97  101  103  105  106 
LCS_GDT     F    68_C     F    68_B      5    8   79      3    5    5   14   24   43   59   71   75   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     N    69_C     N    69_B      5    8   79      3    5    5    7   13   39   59   67   75   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     P    70_C     P    70_B      4   41   79      4   24   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     Y    71_C     Y    71_B      4   41   79     10   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     G    72_C     G    72_B      4   41   79      4   19   32   45   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    73_C     L    73_B      5   41   79      0    5   20   43   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     S    74_C     S    74_B      5   41   79      2    6   24   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     G    75_C     G    75_B     10   41   79      3   11   21   36   50   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     Y    76_C     Y    76_B     10   41   79      3   13   21   45   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    77_C     L    77_B     10   41   79      7   14   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    78_C     L    78_B     10   41   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     S    79_C     S    79_B     10   41   79      4   14   35   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     E    80_C     E    80_B     10   41   79      3   11   17   29   44   55   67   71   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     P    81_C     P    81_B     10   41   79      4   14   30   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     N    82_C     N    82_B     10   41   79      4   24   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     C    83_C     C    83_B     10   41   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     V    84_C     V    84_B     10   41   79      7   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     D    85_C     D    85_B      8   41   79      7   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    86_C     L    86_B      8   41   79      4   13   21   39   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    87_C     L    87_B      7   41   79      4   14   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    88_C     I    88_B      7   41   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     E    89_C     E    89_B      7   41   79      4   13   36   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     P    90_C     P    90_B      8   41   79      7   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     N    91_C     N    91_B     14   41   79      4   17   38   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     N    92_C     N    92_B     14   41   79      4   19   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     Y    93_C     Y    93_B     14   41   79      4   20   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     V    94_C     V    94_B     14   41   79      7   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     R    95_C     R    95_B     14   41   79      7   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    96_C     L    96_B     14   41   79      7   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     R    97_C     R    97_B     14   41   79     13   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L    98_C     L    98_B     14   41   79      7   27   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I    99_C     I    99_B     14   41   79      4   23   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     E   100_C     E   100_B     14   41   79      4   18   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     K   101_C     K   101_B     14   41   79      5   26   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I   102_C     I   102_B     14   41   79      4   24   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     D   103_C     D   103_B     14   41   79      4   18   39   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     I   104_C     I   104_B     14   41   79      4   11   19   39   52   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L   105_C     L   105_B     13   41   79      5   11   22   46   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     E   106_C     E   106_B     13   41   79      5   11   22   41   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     V   107_C     V   107_B     13   41   79      5   11   21   37   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     E   108_C     E   108_B     13   41   79      5   12   32   47   55   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     N   109_C     N   109_B     13   41   79      5   11   22   38   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     H   110_C     H   110_B     13   41   79      4   11   20   36   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     L   111_C     L   111_B     13   39   79      4   11   21   36   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     K   112_C     K   112_B     13   38   79      4   11   18   34   48   60   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     F   113_C     F   113_B     13   35   79      4   11   12   30   44   54   68   73   75   79   82   85   88   92   93   97  101  103  105  106 
LCS_GDT     L   114_C     L   114_B     13   35   79      4   11   20   32   44   60   68   73   75   79   82   85   88   92   93   98  101  103  105  106 
LCS_GDT     F   115_C     F   115_B     13   35   79      4   11   22   36   53   62   68   73   76   79   82   85   90   92   94   98  101  103  105  106 
LCS_GDT     D   116_C     D   116_B      5   25   79      4    5    9   18   27   44   53   60   72   78   82   85   88   92   94   98  101  103  105  106 
LCS_GDT     N   117_C     N   117_B      3   25   70      3    3    9   19   36   44   68   72   74   79   82   85   88   92   94   98  101  103  105  106 
LCS_AVERAGE  LCS_A:  27.31  (   6.27   18.24   57.41 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     13     27     39     47     55     62     68     73     76     79     82     85     90     92     94     98    101    103    105    106 
GDT PERCENT_AT  11.21  23.28  33.62  40.52  47.41  53.45  58.62  62.93  65.52  68.10  70.69  73.28  77.59  79.31  81.03  84.48  87.07  88.79  90.52  91.38
GDT RMS_LOCAL    0.35   0.66   1.01   1.18   1.44   1.75   1.94   2.20   2.35   2.54   2.80   3.08   3.58   3.75   4.04   4.24   4.38   4.60   4.78   4.86
GDT RMS_ALL_AT   6.83   6.76   6.63   6.63   6.67   6.57   6.59   6.64   6.51   6.52   6.60   6.68   6.61   6.68   6.45   6.37   6.38   6.37   6.40   6.39

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  Y    33_C      Y    33_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  D    85_C      D    85_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  Y    93_C      Y    93_B
#   possible swapping detected:  F   113_C      F   113_B
#   possible swapping detected:  F   115_C      F   115_B
#   possible swapping detected:  D   116_C      D   116_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    18.239     0    0.057   0.952    19.260    0.000    0.000
LGA    K     3_C      K     3_B    18.484     0    0.557   1.106    25.696    0.000    0.000
LGA    S     4_C      S     4_B    13.613     0    0.612   0.634    15.657    0.000    0.000
LGA    K     5_C      K     5_B     8.855     0    0.595   0.987    10.437    1.786    2.857
LGA    M     6_C      M     6_B     9.228     0    0.598   1.326    10.485    2.143    1.905
LGA    L     7_C      L     7_B     7.589     0    0.065   0.140    11.376   11.667    7.321
LGA    S     8_C      S     8_B     2.875     0    0.694   0.767     3.965   48.452   46.746
LGA    N     9_C      N     9_B     2.944     0    0.556   0.778     3.639   53.690   54.583
LGA    I    10_C      I    10_B     3.287     0    0.046   0.549     5.741   57.381   42.619
LGA    V    11_C      V    11_B     1.588     0    0.049   0.052     2.328   68.810   69.388
LGA    I    12_C      I    12_B     1.375     0    0.167   1.650     4.194   81.429   71.786
LGA    Q    13_C      Q    13_B     1.275     0    0.661   1.330     4.273   68.452   66.190
LGA    E    14_C      E    14_B     1.279     0    0.016   0.800     8.466   69.762   44.286
LGA    V    15_C      V    15_B     4.945     0    0.032   0.096     9.262   40.476   25.782
LGA    K    16_C      K    16_B     5.164     0    0.059   0.485     8.954   19.167   18.095
LGA    F    17_C      F    17_B     7.032     0    0.633   0.559    11.116   10.833    4.978
LGA    A    18_C      A    18_B    10.277     0    0.661   0.623    13.621    0.357    0.286
LGA    I    19_C      I    19_B    15.164     0    0.620   0.674    19.692    0.000    0.000
LGA    E    20_C      E    20_B    12.701     0    0.081   0.981    13.061    0.000    0.000
LGA    D    21_C      D    21_B    12.567     0    0.326   0.484    13.066    0.000    0.000
LGA    Y    22_C      Y    22_B    14.161     0    0.213   0.177    23.338    0.000    0.000
LGA    C    23_C      C    23_B     9.745     0    0.084   0.682    11.388    5.238    3.571
LGA    A    24_C      A    24_B     5.678     0    0.668   0.602     7.075   27.976   25.048
LGA    I    25_C      I    25_B     1.773     0    0.566   1.136     5.181   68.929   53.571
LGA    L    26_C      L    26_B     2.079     0    0.107   1.371     4.087   70.833   67.440
LGA    S    27_C      S    27_B     1.626     0    0.048   0.654     3.565   70.833   66.587
LGA    F    28_C      F    28_B     1.337     0    0.070   0.384     2.611   83.690   75.455
LGA    A    29_C      A    29_B     1.673     0    0.033   0.044     2.141   72.857   71.238
LGA    S    30_C      S    30_B     2.004     0    0.682   0.858     5.110   51.786   51.508
LGA    D    31_C      D    31_B     5.777     0    0.032   0.875     8.123   17.619   39.107
LGA    S    32_C      S    32_B    10.807     0    0.696   0.780    15.381    0.714    0.476
LGA    Y    33_C      Y    33_B    11.168     0    0.583   1.511    13.390    0.000    0.000
LGA    E    34_C      E    34_B    16.293     0    0.121   0.981    23.549    0.000    0.000
LGA    V    35_C      V    35_B    12.543     0    0.302   1.105    15.571    1.310    0.748
LGA    P    36_C      P    36_B     8.289     0    0.177   0.278    12.073    4.881    2.993
LGA    E    37_C      E    37_B     5.706     0    0.063   0.920     7.218   23.929   20.847
LGA    Q    38_C      Q    38_B     2.439     0    0.046   1.065     5.777   67.262   49.153
LGA    Y    39_C      Y    39_B     0.860     0    0.139   1.448     8.523   90.595   53.968
LGA    F    40_C      F    40_B     0.703     0    0.135   0.740     2.236   90.476   78.615
LGA    I    41_C      I    41_B     1.176     0    0.103   0.190     1.822   83.690   80.417
LGA    I    42_C      I    42_B     1.750     0    0.080   0.138     2.650   72.857   67.917
LGA    T    43_C      T    43_B     2.014     0    0.525   0.490     2.919   64.881   69.660
LGA    R    44_C      R    44_B     2.747     0    0.028   1.085     6.560   46.310   39.957
LGA    S    45_C      S    45_B     6.908     0    0.065   0.629    10.196   22.024   15.476
LGA    T    46_C      T    46_B     8.035     0    0.441   1.208    10.368    3.690    2.925
LGA    T    47_C      T    47_B     7.696     0    0.688   1.373     9.285    6.429   10.748
LGA    E    48_C      E    48_B     8.036     0    0.180   1.002     8.964   11.548    7.143
LGA    R    49_C      R    49_B     8.776     0    0.620   1.014    10.836    1.190    0.519
LGA    S    50_C      S    50_B    11.507     0    0.477   0.798    13.750    0.119    0.079
LGA    G    51_C      G    51_B    13.279     0    0.196   0.196    13.279    0.000    0.000
LGA    G    52_C      G    52_B    14.206     0    0.591   0.591    15.696    0.000    0.000
LGA    I    53_C      I    53_B    14.133     0    0.064   0.254    16.179    0.000    0.000
LGA    P    54_C      P    54_B    12.565     0    0.670   0.627    16.169    0.000    0.000
LGA    E    55_C      E    55_B    12.784     0    0.621   0.909    14.701    0.000    0.000
LGA    G    56_C      G    56_B    10.994     0    0.269   0.269    11.515    0.000    0.000
LGA    D    57_C      D    57_B     8.302     0    0.133   1.006    13.316   14.048    7.202
LGA    I    58_C      I    58_B     4.976     0    0.647   0.657    11.075   35.476   19.405
LGA    Y    59_C      Y    59_B     1.510     0    0.113   1.202     4.818   73.214   62.619
LGA    L    60_C      L    60_B     1.141     0    0.067   0.192     1.370   85.952   83.690
LGA    E    61_C      E    61_B     0.555     0    0.052   0.376     2.263   92.976   83.915
LGA    S    62_C      S    62_B     1.372     0    0.168   0.218     2.242   77.381   74.524
LGA    N    63_C      N    63_B     1.616     0    0.595   1.095     4.328   65.595   60.179
LGA    L    64_C      L    64_B     1.326     0    0.525   0.515     5.284   69.762   55.952
LGA    F    65_C      F    65_B     3.671     0    0.539   1.479     5.734   41.667   40.736
LGA    L    66_C      L    66_B     4.704     0    0.027   1.255     7.389   34.524   26.250
LGA    D    67_C      D    67_B     7.723     0    0.048   0.940    14.302    9.405    4.702
LGA    F    68_C      F    68_B     5.953     0    0.110   1.181     6.385   18.214   30.823
LGA    N    69_C      N    69_B     6.400     0    0.356   0.829    11.709   25.714   13.333
LGA    P    70_C      P    70_B     0.690     0    0.672   0.688     4.693   88.810   67.619
LGA    Y    71_C      Y    71_B     1.129     0    0.430   1.262     5.883   81.548   62.897
LGA    G    72_C      G    72_B     3.650     0    0.716   0.716     4.996   43.810   43.810
LGA    L    73_C      L    73_B     3.236     0    0.204   0.491     8.531   61.429   37.143
LGA    S    74_C      S    74_B     1.935     0    0.634   0.536     5.157   68.810   56.429
LGA    G    75_C      G    75_B     2.800     0    0.180   0.180     2.800   60.952   60.952
LGA    Y    76_C      Y    76_B     2.172     0    0.157   1.006     5.761   66.786   62.381
LGA    L    77_C      L    77_B     1.320     0    0.075   0.188     1.492   81.429   81.429
LGA    L    78_C      L    78_B     1.086     0    0.053   0.935     3.659   77.143   70.417
LGA    S    79_C      S    79_B     2.934     0    0.105   0.648     5.002   59.167   52.143
LGA    E    80_C      E    80_B     4.726     0    0.052   0.956     5.990   31.548   25.926
LGA    P    81_C      P    81_B     2.694     0    0.476   1.335     7.075   50.833   40.680
LGA    N    82_C      N    82_B     1.553     0    0.078   0.851     4.005   77.143   69.583
LGA    C    83_C      C    83_B     0.409     0    0.019   0.181     0.718   95.238   95.238
LGA    V    84_C      V    84_B     0.439     0    0.041   0.112     0.621   95.238   94.558
LGA    D    85_C      D    85_B     0.818     0    0.092   0.430     1.622   85.952   84.881
LGA    L    86_C      L    86_B     2.428     0    0.205   0.828     3.624   70.833   63.333
LGA    L    87_C      L    87_B     0.976     0    0.167   0.904     3.821   81.548   71.548
LGA    I    88_C      I    88_B     2.373     0    0.021   1.322     5.673   61.190   51.310
LGA    E    89_C      E    89_B     2.688     0    0.072   1.048     9.753   55.357   33.651
LGA    P    90_C      P    90_B     3.256     0    0.084   0.427     6.603   50.119   38.912
LGA    N    91_C      N    91_B     1.570     0    0.133   0.837     6.029   72.976   56.786
LGA    N    92_C      N    92_B     1.923     0    0.090   0.163     3.366   77.143   65.417
LGA    Y    93_C      Y    93_B     1.014     0    0.093   1.308     4.323   81.429   71.190
LGA    V    94_C      V    94_B     1.651     0    0.017   0.204     2.978   75.000   69.524
LGA    R    95_C      R    95_B     1.252     0    0.040   1.007     3.561   81.429   73.420
LGA    L    96_C      L    96_B     0.809     0    0.066   1.403     3.612   90.476   78.214
LGA    R    97_C      R    97_B     0.642     0    0.028   0.993     5.693   88.214   59.827
LGA    L    98_C      L    98_B     1.191     0    0.078   1.222     4.789   88.214   71.429
LGA    I    99_C      I    99_B     0.845     0    0.167   1.206     3.261   90.476   79.881
LGA    E   100_C      E   100_B     1.021     0    0.064   0.918     4.141   92.976   71.323
LGA    K   101_C      K   101_B     0.560     0    0.007   0.255     3.143   90.595   79.206
LGA    I   102_C      I   102_B     1.395     0    0.048   0.152     3.174   79.286   70.179
LGA    D   103_C      D   103_B     1.779     0    0.080   0.100     2.431   70.952   74.107
LGA    I   104_C      I   104_B     3.576     0    0.183   0.187     5.997   50.119   38.869
LGA    L   105_C      L   105_B     2.478     0    0.042   0.141     3.139   64.881   61.071
LGA    E   106_C      E   106_B     2.716     0    0.057   0.594     3.851   57.143   57.407
LGA    V   107_C      V   107_B     2.951     0    0.024   0.175     3.392   59.048   55.170
LGA    E   108_C      E   108_B     1.305     0    0.066   0.884     2.067   72.976   77.831
LGA    N   109_C      N   109_B     2.279     0    0.029   0.086     3.095   61.190   63.988
LGA    H   110_C      H   110_B     3.010     0    0.088   1.131     4.455   53.571   50.190
LGA    L   111_C      L   111_B     2.692     0    0.016   0.181     3.122   57.143   56.250
LGA    K   112_C      K   112_B     3.441     0    0.044   0.518     4.385   46.905   48.677
LGA    F   113_C      F   113_B     4.618     0    0.031   0.245     7.225   34.524   23.896
LGA    L   114_C      L   114_B     3.851     0    0.040   1.388     8.166   45.000   35.833
LGA    F   115_C      F   115_B     2.881     0    0.110   0.410     5.060   44.405   45.714
LGA    D   116_C      D   116_B     6.880     0    0.612   0.482    12.155   13.929    7.321
LGA    N   117_C      N   117_B     5.106     0    0.184   0.992     8.527   36.190   22.738

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     6.219          6.127                  6.756           47.078   41.428

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     73    2.20    52.802    46.362     3.175

LGA_LOCAL      RMSD:   2.199  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.635  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   6.219  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.828824 * X  +  -0.417360 * Y  +  -0.372642 * Z  + -34.713089
  Y_new =   0.535268 * X  +   0.397547 * Y  +   0.745281 * Z  +  18.007692
  Z_new =  -0.162908 * X  +  -0.817170 * Y  +   0.552896 * Z  + -72.405151 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.573429  0.163637 -0.975949   [DEG:   32.8551    9.3757  -55.9178 ]
ZXZ: -2.677944  0.984960 -2.944816   [DEG: -153.4349   56.4341 -168.7255 ]
 
# END of job
