
#######################################################
#                                                     #
#                        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:    54      64_B - 117_B       4.80     9.19
  LCS_AVERAGE:     36.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      74_B - 97_B        1.86    11.98
  LONGEST_CONTINUOUS_SEGMENT:    24      75_B - 98_B        1.90    11.66
  LCS_AVERAGE:     11.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14     103_B - 116_B       0.28    11.18
  LCS_AVERAGE:      5.89

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   18      0    3    3    3    3    4    7   10   12   15   25   28   30   32   34   37   43   51   65   67 
LCS_GDT     K     3_C     K     3_B      4    7   20      3    3    4    4    5   10   12   13   16   19   25   29   38   42   53   56   61   66   69   74 
LCS_GDT     S     4_C     S     4_B      4    7   21      3    3    4    5    8   13   15   21   26   32   33   40   45   55   61   64   68   72   77   81 
LCS_GDT     K     5_C     K     5_B      4    7   21      3    4    8   14   17   21   25   28   35   41   48   54   64   67   73   79   82   85   88   92 
LCS_GDT     M     6_C     M     6_B      4    9   21      3    4    4    8   15   20   25   28   31   41   43   50   61   66   71   79   82   85   88   92 
LCS_GDT     L     7_C     L     7_B      4   10   21      3    4    6   10   16   20   25   30   37   43   50   59   68   72   77   79   82   85   89   92 
LCS_GDT     S     8_C     S     8_B      6   10   21      3    6    7   12   16   20   25   28   35   41   48   57   64   71   74   79   82   85   89   92 
LCS_GDT     N     9_C     N     9_B      6   10   21      3    6    8   13   18   21   25   27   31   36   42   48   53   59   63   70   77   83   85   91 
LCS_GDT     I    10_C     I    10_B      6   10   21      3    8   15   18   20   21   25   27   31   36   42   47   53   59   63   69   74   83   85   91 
LCS_GDT     V    11_C     V    11_B      6   10   21      3    6   12   18   20   21   25   27   29   32   39   44   47   54   63   66   72   83   85   87 
LCS_GDT     I    12_C     I    12_B      6   10   21      3    8   15   18   20   21   25   29   34   41   43   48   56   61   72   76   82   85   89   92 
LCS_GDT     Q    13_C     Q    13_B      6   10   21      3    6    7    9   10   13   23   26   30   33   39   48   54   58   63   66   76   83   85   88 
LCS_GDT     E    14_C     E    14_B      4   10   21      3   11   15   18   20   22   29   34   38   44   53   62   68   74   77   79   82   85   89   92 
LCS_GDT     V    15_C     V    15_B      3   10   21      3   14   15   18   20   26   32   34   41   51   60   65   72   75   77   79   82   85   89   92 
LCS_GDT     K    16_C     K    16_B      3   10   21      3    7   14   18   20   26   32   34   41   51   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     F    17_C     F    17_B      3    4   21      3    3    4    6   10   16   22   29   37   48   59   66   72   75   77   79   82   85   89   92 
LCS_GDT     A    18_C     A    18_B      3    3   22      1    3    8   13   22   29   32   38   46   53   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I    19_C     I    19_B      4    8   22      1    4    5    8   12   16   21   29   42   45   55   66   72   75   77   79   82   85   89   92 
LCS_GDT     E    20_C     E    20_B      4    8   22      3    4    4    6    7    9   13   23   24   37   45   56   65   69   73   79   82   85   89   92 
LCS_GDT     D    21_C     D    21_B      4    8   30      3    4    5    7    8   11   14   18   28   35   45   56   65   69   73   79   82   85   89   92 
LCS_GDT     Y    22_C     Y    22_B      5    9   33      3    5    7    9   12   16   21   25   42   45   53   60   71   75   77   79   82   85   89   92 
LCS_GDT     C    23_C     C    23_B      6    9   38      3    6    9   12   14   22   30   37   42   52   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     A    24_C     A    24_B      7    9   38      3    7    9   12   14   24   34   39   47   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I    25_C     I    25_B      7    9   38      4    7    9   18   26   30   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L    26_C     L    26_B      7    9   38      3    8    9   20   26   30   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     S    27_C     S    27_B      7    9   38      4    8   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     F    28_C     F    28_B      7    9   38      4    6   11   16   25   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     A    29_C     A    29_B      7    9   38      5    6   12   18   25   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     S    30_C     S    30_B      7    9   38      4    7    9   12   14   23   30   37   46   54   60   65   72   75   77   79   82   85   89   92 
LCS_GDT     D    31_C     D    31_B      6    9   38      3    4    8    9   13   15   19   21   24   29   38   50   56   62   69   75   79   81   83   86 
LCS_GDT     S    32_C     S    32_B      4    8   38      3    4    5    8   13   15   19   21   24   25   26   31   34   36   49   59   63   71   73   76 
LCS_GDT     Y    33_C     Y    33_B      4    8   38      3    5    8    9   13   15   19   21   24   25   27   31   34   38   49   59   65   71   73   76 
LCS_GDT     E    34_C     E    34_B      3    8   38      3    3    4    7   13   15   19   21   24   25   27   31   34   36   38   59   63   65   70   73 
LCS_GDT     V    35_C     V    35_B      3    8   38      3    3    6    8   13   15   19   21   24   25   27   31   34   38   50   59   63   71   74   80 
LCS_GDT     P    36_C     P    36_B      4   11   38      3    3    5    7    9   10   15   20   24   25   27   31   34   38   49   59   65   72   78   82 
LCS_GDT     E    37_C     E    37_B      4   11   38      3    4    8    9   13   15   19   21   24   30   44   49   56   66   71   76   79   81   83   85 
LCS_GDT     Q    38_C     Q    38_B      8   11   38      3    4    9   12   20   27   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     Y    39_C     Y    39_B      8   11   38      3    5    9   12   14   29   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     F    40_C     F    40_B      8   11   38      5    8   14   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I    41_C     I    41_B      8   11   38      5    8   13   20   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I    42_C     I    42_B      8   11   38      5    8   14   20   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     T    43_C     T    43_B      8   11   38      5    8   14   20   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     R    44_C     R    44_B      8   11   38      5    8   10   20   26   30   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     S    45_C     S    45_B      8   11   38      5    8   10   17   22   29   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     T    46_C     T    46_B      5   11   38      4    5   13   20   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     T    47_C     T    47_B      4   10   38      3    3    5    9   22   29   35   42   48   54   60   64   70   72   76   78   81   83   84   88 
LCS_GDT     E    48_C     E    48_B      4    4   38      3    3    4    5   12   15   19   21   24   44   52   56   58   64   69   72   76   79   82   85 
LCS_GDT     R    49_C     R    49_B      4    5   38      3    3    6    8   11   15   19   21   24   25   35   45   55   59   65   71   78   81   82   85 
LCS_GDT     S    50_C     S    50_B      3    5   38      3    3    4   14   14   18   21   26   31   35   40   53   55   61   69   74   78   81   82   85 
LCS_GDT     G    51_C     G    51_B      3    5   38      3    3    4   14   14   20   26   28   31   40   47   53   59   65   70   75   78   81   82   87 
LCS_GDT     G    52_C     G    52_B      3    5   38      1    6   11   16   20   26   30   38   47   54   60   64   70   74   76   79   82   84   88   91 
LCS_GDT     I    53_C     I    53_B      3    5   38      3   10   12   19   25   30   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     P    54_C     P    54_B      3    5   38      3    3    5   13   20   26   30   38   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     E    55_C     E    55_B      4    5   38      3    4    5   12   19   24   32   38   46   52   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     G    56_C     G    56_B      4    5   38      3    4    4    6    9   11   14   23   35   42   49   59   67   73   77   79   82   85   89   92 
LCS_GDT     D    57_C     D    57_B      4    6   38      3    4    4    6    7    8   10   14   18   23   27   41   47   52   59   65   76   81   83   89 
LCS_GDT     I    58_C     I    58_B      4    7   38      3    4    4    6    7    8   11   12   21   27   32   41   47   52   68   72   77   83   89   92 
LCS_GDT     Y    59_C     Y    59_B      5    7   38      4    4    6    7    8    8   11   12   14   20   27   31   34   36   59   65   67   76   83   87 
LCS_GDT     L    60_C     L    60_B      5    7   38      4    4    6    7    8    8   11   12   14   21   27   31   47   52   63   67   77   83   89   92 
LCS_GDT     E    61_C     E    61_B      5    7   38      4    4    6    7    8    8   13   15   17   23   33   41   47   52   59   72   77   83   89   92 
LCS_GDT     S    62_C     S    62_B      5    7   17      4    4    5    7    9   13   14   17   20   23   33   43   47   52   68   72   77   83   89   92 
LCS_GDT     N    63_C     N    63_B      5    7   53      3    4    6    9   10   13   15   17   20   23   24   43   47   52   59   65   71   78   81   86 
LCS_GDT     L    64_C     L    64_B      4    7   54      3    4    6    9   10   12   14   17   20   27   36   43   47   59   68   72   76   83   89   92 
LCS_GDT     F    65_C     F    65_B      4    5   54      3    4    4    5    8   10   14   17   20   32   41   47   51   64   71   78   82   85   89   92 
LCS_GDT     L    66_C     L    66_B      4    5   54      3    6    6   13   21   28   32   36   41   52   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     D    67_C     D    67_B      3    5   54      3    3    6   12   16   21   26   35   42   52   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     F    68_C     F    68_B      4   11   54      3    4    6    9   13   20   26   30   37   46   53   62   68   75   77   79   82   85   89   92 
LCS_GDT     N    69_C     N    69_B      4   11   54      3    4    4    9   13   14   25   30   37   40   53   57   64   71   76   79   82   85   89   92 
LCS_GDT     P    70_C     P    70_B      4   11   54      3    4    8    9   16   21   28   38   46   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     Y    71_C     Y    71_B      4   11   54      3    4    4    9   12   23   30   39   47   54   60   65   72   75   77   79   82   85   89   92 
LCS_GDT     G    72_C     G    72_B      6   11   54      3    4    8    9   16   21   28   35   45   52   60   65   72   75   77   79   82   85   89   92 
LCS_GDT     L    73_C     L    73_B      6   18   54      3    4    8   12   19   24   32   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     S    74_C     S    74_B      6   24   54      3    4    8   19   21   25   32   38   47   53   60   65   72   75   77   79   82   85   89   92 
LCS_GDT     G    75_C     G    75_B      6   24   54      3   10   16   20   25   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     Y    76_C     Y    76_B      6   24   54      3    9   16   21   25   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L    77_C     L    77_B      6   24   54      3    5   14   19   25   29   35   40   47   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L    78_C     L    78_B     10   24   54      5   10   16   21   25   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     S    79_C     S    79_B     10   24   54      3   10   16   21   25   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     E    80_C     E    80_B     10   24   54      3   10   16   21   25   29   35   42   48   54   60   65   72   75   77   79   82   85   89   92 
LCS_GDT     P    81_C     P    81_B     10   24   54      3    5   14   21   25   29   32   40   47   53   59   64   70   74   76   79   82   85   89   91 
LCS_GDT     N    82_C     N    82_B     10   24   54      3   10   16   21   25   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     C    83_C     C    83_B     10   24   54      5   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     V    84_C     V    84_B     10   24   54      5   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     D    85_C     D    85_B     10   24   54      5   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L    86_C     L    86_B     10   24   54      5   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L    87_C     L    87_B     10   24   54      4   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I    88_C     I    88_B      8   24   54      3   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     E    89_C     E    89_B      8   24   54      2    7   15   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     P    90_C     P    90_B      4   24   54      3   11   16   18   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     N    91_C     N    91_B      7   24   54      3    5   13   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     N    92_C     N    92_B      9   24   54      3    8   14   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     Y    93_C     Y    93_B      9   24   54      4    8   14   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     V    94_C     V    94_B      9   24   54      5   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     R    95_C     R    95_B      9   24   54      5   10   16   21   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L    96_C     L    96_B      9   24   54      5   10   16   21   25   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     R    97_C     R    97_B      9   24   54      3    8   12   16   25   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L    98_C     L    98_B      9   24   54      3    8   12   16   25   29   32   36   47   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I    99_C     I    99_B      9   22   54      3    6   12   16   25   29   32   36   47   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     E   100_C     E   100_B      9   20   54      3    4   10   16   25   29   32   38   47   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     K   101_C     K   101_B      3   20   54      2   10   16   20   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I   102_C     I   102_B      3   16   54      3    3    4    8   19   25   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     D   103_C     D   103_B     14   16   54     14   14   16   19   23   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     I   104_C     I   104_B     14   16   54     14   14   16   18   25   29   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L   105_C     L   105_B     14   16   54     14   14   16   18   25   29   32   40   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     E   106_C     E   106_B     14   16   54     14   14   16   20   26   30   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     V   107_C     V   107_B     14   16   54     14   14   16   20   26   30   35   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     E   108_C     E   108_B     14   16   54     14   14   16   18   26   30   34   42   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     N   109_C     N   109_B     14   16   54     14   14   16   18   25   29   33   39   46   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     H   110_C     H   110_B     14   16   54     14   14   16   18   25   29   33   39   46   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     L   111_C     L   111_B     14   16   54     14   14   16   18   25   30   34   40   48   54   60   66   72   75   77   79   82   85   89   92 
LCS_GDT     K   112_C     K   112_B     14   16   54     14   14   16   18   25   29   32   37   42   52   59   66   72   75   77   79   82   85   89   92 
LCS_GDT     F   113_C     F   113_B     14   16   54     14   14   16   18   25   29   32   37   42   48   58   66   72   75   77   79   82   85   89   92 
LCS_GDT     L   114_C     L   114_B     14   16   54     14   14   16   18   25   29   32   37   42   48   58   66   72   75   77   79   82   85   89   92 
LCS_GDT     F   115_C     F   115_B     14   16   54     14   14   16   18   25   29   32   37   42   45   55   66   72   75   77   79   82   85   89   92 
LCS_GDT     D   116_C     D   116_B     14   16   54     14   14   16   18   25   29   32   35   41   45   52   59   67   73   77   79   82   85   89   92 
LCS_GDT     N   117_C     N   117_B      3   16   54      3    3    4    5   16   22   30   37   42   45   54   64   71   75   77   79   82   85   89   92 
LCS_AVERAGE  LCS_A:  17.94  (   5.89   11.32   36.63 )

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     14     14     16     21     26     30     35     42     48     54     60     66     72     75     77     79     82     85     89     92 
GDT PERCENT_AT  12.07  12.07  13.79  18.10  22.41  25.86  30.17  36.21  41.38  46.55  51.72  56.90  62.07  64.66  66.38  68.10  70.69  73.28  76.72  79.31
GDT RMS_LOCAL    0.28   0.28   0.57   1.42   1.81   2.00   2.42   2.66   2.97   3.29   3.65   4.14   4.34   4.52   4.66   4.78   5.05   5.27   5.68   5.94
GDT RMS_ALL_AT  11.18  11.18  11.05  11.41   9.91   9.79  10.41  10.14   9.90   9.73   9.64   9.17   9.17   9.12   9.11   9.16   9.09   9.08   9.09   9.13

# 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:  Y    22_C      Y    22_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  E    34_C      E    34_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  D    85_C      D    85_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_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    29.797     0    0.063   1.004    31.110    0.000    0.000
LGA    K     3_C      K     3_B    26.648     0    0.671   0.740    35.340    0.000    0.000
LGA    S     4_C      S     4_B    21.238     0    0.149   0.646    23.672    0.000    0.000
LGA    K     5_C      K     5_B    15.876     0    0.226   0.893    17.175    0.000    0.000
LGA    M     6_C      M     6_B    16.549     0    0.021   0.162    22.684    0.000    0.000
LGA    L     7_C      L     7_B    12.868     0    0.690   1.033    13.577    0.000    0.595
LGA    S     8_C      S     8_B    14.858     0    0.185   0.230    15.782    0.000    0.000
LGA    N     9_C      N     9_B    18.071     0    0.100   0.877    22.232    0.000    0.000
LGA    I    10_C      I    10_B    17.037     0    0.098   0.533    17.794    0.000    0.000
LGA    V    11_C      V    11_B    18.299     0    0.037   0.035    21.915    0.000    0.000
LGA    I    12_C      I    12_B    13.278     0    0.066   0.984    15.350    0.000    0.238
LGA    Q    13_C      Q    13_B    15.658     0    0.215   1.069    23.585    0.000    0.000
LGA    E    14_C      E    14_B    10.647     0    0.322   0.861    12.176    0.000    0.000
LGA    V    15_C      V    15_B     8.105     0    0.659   0.961     8.930    3.810    9.252
LGA    K    16_C      K    16_B     8.707     0    0.623   0.661    12.486    1.786    1.005
LGA    F    17_C      F    17_B     8.890     0    0.620   1.127     9.102    3.452    9.654
LGA    A    18_C      A    18_B     7.546     0    0.607   0.593     8.869    5.476    5.810
LGA    I    19_C      I    19_B    10.367     0    0.633   0.658    13.791    0.714    0.774
LGA    E    20_C      E    20_B    16.105     0    0.652   1.049    20.622    0.000    0.000
LGA    D    21_C      D    21_B    16.974     0    0.514   1.205    20.194    0.000    0.000
LGA    Y    22_C      Y    22_B    11.990     0    0.561   1.507    13.591    0.000    0.000
LGA    C    23_C      C    23_B     8.290     0    0.319   0.718     9.998   10.000    7.222
LGA    A    24_C      A    24_B     5.339     0    0.175   0.247     6.559   25.595   23.905
LGA    I    25_C      I    25_B     3.570     0    0.140   0.196     4.279   46.905   47.679
LGA    L    26_C      L    26_B     2.298     0    0.136   1.364     3.286   75.357   68.393
LGA    S    27_C      S    27_B     1.178     0    0.048   0.649     3.002   67.262   66.508
LGA    F    28_C      F    28_B     4.170     0    0.141   1.253    12.675   48.571   19.827
LGA    A    29_C      A    29_B     2.847     0    0.120   0.159     5.447   40.952   44.190
LGA    S    30_C      S    30_B     5.439     0    0.294   0.601     6.802   23.452   30.079
LGA    D    31_C      D    31_B    10.023     0    0.094   0.979    11.667    1.786    0.893
LGA    S    32_C      S    32_B    15.911     0    0.488   0.718    19.408    0.000    0.000
LGA    Y    33_C      Y    33_B    17.491     0    0.651   0.972    20.596    0.000    0.000
LGA    E    34_C      E    34_B    18.375     0    0.645   0.972    25.013    0.000    0.000
LGA    V    35_C      V    35_B    15.543     0    0.570   0.599    18.369    0.000    0.000
LGA    P    36_C      P    36_B    14.019     0    0.651   0.783    15.986    0.000    0.000
LGA    E    37_C      E    37_B     8.656     0    0.091   0.989    10.364    9.286    5.397
LGA    Q    38_C      Q    38_B     3.492     0    0.076   0.557     8.713   35.238   26.561
LGA    Y    39_C      Y    39_B     3.266     0    0.159   1.539    14.767   57.381   23.889
LGA    F    40_C      F    40_B     1.244     0    0.129   1.337     5.526   72.976   56.494
LGA    I    41_C      I    41_B     1.553     0    0.083   1.076     4.814   72.976   58.571
LGA    I    42_C      I    42_B     1.771     0    0.109   0.173     2.982   75.000   69.940
LGA    T    43_C      T    43_B     2.131     0    0.021   0.193     4.112   56.190   58.912
LGA    R    44_C      R    44_B     2.998     0    0.125   1.024     3.232   51.786   59.610
LGA    S    45_C      S    45_B     4.094     0    0.694   0.805     4.998   45.238   40.635
LGA    T    46_C      T    46_B     2.820     0    0.630   1.406     6.587   55.595   42.721
LGA    T    47_C      T    47_B     2.215     0    0.155   0.191     5.973   54.524   43.265
LGA    E    48_C      E    48_B     7.492     0    0.579   1.219    15.982   10.476    4.709
LGA    R    49_C      R    49_B    11.745     0    0.217   1.517    17.751    0.000    0.000
LGA    S    50_C      S    50_B    12.795     0    0.112   0.200    15.158    0.000    0.000
LGA    G    51_C      G    51_B    11.579     0    0.308   0.308    11.886    2.857    2.857
LGA    G    52_C      G    52_B     6.845     0    0.512   0.512     9.098   15.595   15.595
LGA    I    53_C      I    53_B     4.639     0    0.170   0.315     7.769   20.357   26.726
LGA    P    54_C      P    54_B     6.062     0    0.625   0.574     6.062   21.548   25.850
LGA    E    55_C      E    55_B     8.269     0    0.105   0.387    15.711    4.762    2.169
LGA    G    56_C      G    56_B    13.324     0    0.073   0.073    14.242    0.000    0.000
LGA    D    57_C      D    57_B    17.933     0    0.303   0.442    21.133    0.000    0.000
LGA    I    58_C      I    58_B    16.267     0    0.240   1.164    19.267    0.000    0.060
LGA    Y    59_C      Y    59_B    17.187     0    0.315   1.310    28.634    0.000    0.000
LGA    L    60_C      L    60_B    14.504     0    0.058   0.206    16.109    0.000    0.000
LGA    E    61_C      E    61_B    14.793     0    0.067   0.267    17.738    0.000    0.000
LGA    S    62_C      S    62_B    13.640     0    0.202   0.638    15.315    0.000    0.000
LGA    N    63_C      N    63_B    16.368     0    0.602   0.902    21.339    0.000    0.000
LGA    L    64_C      L    64_B    13.819     0    0.068   1.291    14.409    0.000    0.060
LGA    F    65_C      F    65_B    13.952     0    0.152   1.325    21.655    0.000    0.000
LGA    L    66_C      L    66_B     9.749     0    0.658   1.401    11.034    4.167    5.655
LGA    D    67_C      D    67_B     9.515     0    0.603   1.331    13.695    0.119    0.060
LGA    F    68_C      F    68_B    10.430     0    0.568   1.306    11.183    0.357    0.130
LGA    N    69_C      N    69_B    10.521     0    0.072   0.208    13.588    1.905    0.952
LGA    P    70_C      P    70_B     6.394     0    0.515   0.594     9.274   13.095   10.000
LGA    Y    71_C      Y    71_B     5.217     0    0.280   1.214     8.013   22.738   32.421
LGA    G    72_C      G    72_B     6.567     0    0.661   0.661     6.567   18.333   18.333
LGA    L    73_C      L    73_B     4.578     0    0.061   0.864     8.696   44.405   29.048
LGA    S    74_C      S    74_B     5.103     0    0.513   0.629     7.845   24.286   19.048
LGA    G    75_C      G    75_B     3.790     0    0.236   0.236     4.062   46.905   46.905
LGA    Y    76_C      Y    76_B     3.250     0    0.256   1.459    10.824   37.976   21.944
LGA    L    77_C      L    77_B     4.374     0    0.191   1.022     5.853   46.905   36.607
LGA    L    78_C      L    78_B     2.804     0    0.141   0.842     3.905   50.119   62.917
LGA    S    79_C      S    79_B     3.457     0    0.606   0.746     5.146   44.167   49.921
LGA    E    80_C      E    80_B     3.707     0    0.053   1.028     7.237   37.500   30.370
LGA    P    81_C      P    81_B     4.925     0    0.604   0.838     6.498   29.286   25.986
LGA    N    82_C      N    82_B     1.840     0    0.217   0.766     2.093   68.810   74.107
LGA    C    83_C      C    83_B     1.063     0    0.084   0.740     3.437   81.429   77.698
LGA    V    84_C      V    84_B     0.921     0    0.138   0.147     1.025   88.214   89.184
LGA    D    85_C      D    85_B     1.282     0    0.158   0.217     1.833   81.429   80.357
LGA    L    86_C      L    86_B     1.135     0    0.134   0.987     2.440   83.690   76.310
LGA    L    87_C      L    87_B     1.422     0    0.390   0.428     3.357   69.286   74.286
LGA    I    88_C      I    88_B     1.456     0    0.665   0.889     3.427   69.286   64.286
LGA    E    89_C      E    89_B     2.048     0    0.060   0.960     9.103   54.524   32.487
LGA    P    90_C      P    90_B     3.013     0    0.656   1.110     4.116   50.357   48.367
LGA    N    91_C      N    91_B     3.301     0    0.291   0.810     5.777   53.571   41.310
LGA    N    92_C      N    92_B     2.905     0    0.073   0.859     5.709   61.190   46.131
LGA    Y    93_C      Y    93_B     1.789     0    0.173   1.213     6.789   72.976   56.548
LGA    V    94_C      V    94_B     0.506     0    0.061   0.242     1.376   92.857   89.252
LGA    R    95_C      R    95_B     1.250     0    0.086   0.975     3.278   77.381   72.554
LGA    L    96_C      L    96_B     2.279     0    0.215   1.375     4.502   68.810   61.667
LGA    R    97_C      R    97_B     4.352     0    0.074   1.621     7.977   37.500   29.004
LGA    L    98_C      L    98_B     6.180     0    0.609   0.781     9.450   13.690   22.440
LGA    I    99_C      I    99_B     6.784     0    0.534   1.011     8.418   21.310   14.762
LGA    E   100_C      E   100_B     6.492     0    0.662   0.846    14.250   20.833    9.577
LGA    K   101_C      K   101_B     1.794     0    0.469   0.473     3.059   67.262   65.926
LGA    I   102_C      I   102_B     3.657     0    0.604   0.568    10.771   48.690   28.333
LGA    D   103_C      D   103_B     4.078     0    0.608   1.454     9.715   52.262   31.429
LGA    I   104_C      I   104_B     3.886     0    0.089   0.292     6.236   43.452   36.488
LGA    L   105_C      L   105_B     4.513     0    0.069   1.424     6.171   37.262   31.964
LGA    E   106_C      E   106_B     2.262     0    0.028   0.617     3.144   59.167   65.926
LGA    V   107_C      V   107_B     1.013     0    0.052   0.100     2.284   77.381   75.510
LGA    E   108_C      E   108_B     3.297     0    0.062   0.844     5.820   44.524   35.714
LGA    N   109_C      N   109_B     5.983     0    0.060   0.063     7.485   20.000   17.202
LGA    H   110_C      H   110_B     5.943     0    0.025   0.236     6.738   20.595   19.429
LGA    L   111_C      L   111_B     4.689     0    0.010   0.128     6.561   24.405   45.000
LGA    K   112_C      K   112_B     7.731     0    0.072   0.586     9.519    6.905    5.238
LGA    F   113_C      F   113_B     9.845     0    0.031   1.178    16.037    0.952    0.390
LGA    L   114_C      L   114_B     9.282     0    0.075   0.994    11.174    0.833    2.262
LGA    F   115_C      F   115_B     9.470     0    0.227   1.315    12.052    0.714    0.693
LGA    D   116_C      D   116_B    12.306     0    0.595   0.795    15.560    0.000    0.000
LGA    N   117_C      N   117_B    11.489     0    0.181   1.123    11.816    0.000    0.000

# 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):     9.001          8.951                  9.849           26.817   24.243

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     42    2.66    33.621    29.013     1.522

LGA_LOCAL      RMSD:   2.660  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.142  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   9.001  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.236875 * X  +   0.391735 * Y  +  -0.889064 * Z  +  70.157578
  Y_new =  -0.362683 * X  +   0.884607 * Y  +   0.293141 * Z  + -257.461334
  Z_new =   0.901305 * X  +   0.253010 * Y  +   0.351616 * Z  + -345.942505 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.992233 -1.122774  0.623736   [DEG:  -56.8507  -64.3302   35.7374 ]
ZXZ: -1.889291  1.211499  1.297124   [DEG: -108.2484   69.4138   74.3197 ]
 
# END of job
