
#######################################################
#                                                     #
#                        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  126 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       1_A - 78_A        4.97    13.27
  LCS_AVERAGE:     48.22

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      23_A - 66_A        1.98    13.53
  LONGEST_CONTINUOUS_SEGMENT:    44      24_A - 67_A        1.88    13.52
  LCS_AVERAGE:     18.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      29_A - 62_A        0.94    13.53
  LCS_AVERAGE:     11.80

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     M     1_F     M     1_A      4    8   78      3    4    5   14   32   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     F     2_F     F     2_A      4    8   78      3    4    5   11   17   31   43   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     T     3_F     T     3_A      4    8   78      3    4    5   16   21   32   37   42   47   55   58   63   66   68   71   73   75   77   80   83 
LCS_GDT     G     4_F     G     4_A      5    8   78      4    4    5   12   16   22   28   32   36   45   54   59   61   68   71   73   75   77   79   83 
LCS_GDT     W     5_F     W     5_A      5    8   78      4    4    5    5   10   10   17   32   37   45   54   59   62   68   71   73   75   77   80   83 
LCS_GDT     S     6_F     S     6_A      5    9   78      4    4    5    6   12   15   21   29   44   50   58   63   66   68   71   73   75   77   80   83 
LCS_GDT     P     7_F     P     7_A      8    9   78      4    6    8    8   12   13   17   18   22   27   43   46   48   64   69   71   75   77   79   83 
LCS_GDT     F     8_F     F     8_A      8    9   78      4    6    8    8    8   15   22   30   45   50   58   63   66   68   71   72   75   77   80   83 
LCS_GDT     K     9_F     K     9_A      8    9   78      4    6    8    8    8    9   12   25   34   41   49   63   66   68   71   73   75   77   80   83 
LCS_GDT     Y    10_F     Y    10_A      8    9   78      4    6    8    8   21   28   33   39   49   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     S    11_F     S    11_A      8    9   78      3    6    8    8    8    9   14   23   33   40   45   58   61   68   71   73   75   77   79   83 
LCS_GDT     K    12_F     K    12_A      8    9   78      3    6    8    8   11   15   18   24   28   33   42   56   62   68   71   73   75   77   79   83 
LCS_GDT     G    13_F     G    13_A      8   10   78      3    5   11   16   22   28   33   39   46   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     N    14_F     N    14_A      8   10   78      3    4    8   16   24   32   37   42   48   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     T    15_F     T    15_A      6   10   78      3   11   17   24   31   36   44   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     V    16_F     V    16_A      7   10   78      6   11   17   24   31   36   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     T    17_F     T    17_A      7   10   78      6   11   17   24   31   39   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     F    18_F     F    18_A      7   10   78      6    8   11   24   30   36   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     K    19_F     K    19_A      7   10   78      6    9   17   25   32   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     T    20_F     T    20_A      7   10   78      3    8   11   15   24   32   43   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     P    21_F     P    21_A      7   11   78      4    7   10   12   14   20   32   47   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     D    22_F     D    22_A      7   11   78      4    7   10   12   22   38   44   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     E    23_F     E    23_A      4   44   78      4    4    5    7   13   24   32   43   47   54   57   63   66   68   71   72   75   77   80   83 
LCS_GDT     S    24_F     S    24_A      4   44   78      4   20   32   35   39   40   42   44   47   53   58   63   65   68   71   73   75   77   80   83 
LCS_GDT     S    25_F     S    25_A      6   44   78      4    5    6   32   38   40   42   43   46   46   49   58   64   68   71   73   75   77   80   83 
LCS_GDT     I    26_F     I    26_A      8   44   78      5    7   22   35   39   40   42   44   52   55   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     A    27_F     A    27_A      8   44   78      5    7    8   12   22   31   41   43   44   51   56   63   66   68   71   73   75   77   80   83 
LCS_GDT     Y    28_F     Y    28_A     25   44   78      5    7   15   34   38   40   42   44   52   55   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     M    29_F     M    29_A     34   44   78     12   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     R    30_F     R    30_A     34   44   78     12   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     F    31_F     F    31_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     R    32_F     R    32_A     34   44   78     12   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     N    33_F     N    33_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     C    34_F     C    34_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     V    35_F     V    35_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     F    36_F     F    36_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     T    37_F     T    37_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     F    38_F     F    38_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     T    39_F     T    39_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     D    40_F     D    40_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     P    41_F     P    41_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     K    42_F     K    42_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     G    43_F     G    43_A     34   44   78     14   21   33   35   39   40   45   51   53   56   59   62   66   68   71   73   75   77   80   83 
LCS_GDT     S    44_F     S    44_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     L    45_F     L    45_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     H    46_F     H    46_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     S    47_F     S    47_A     34   44   78     14   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     I    48_F     I    48_A     34   44   78     11   20   26   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     D    49_F     D    49_A     34   44   78     13   21   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     V    50_F     V    50_A     34   44   78     11   24   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     T    51_F     T    51_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     E    52_F     E    52_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     V    53_F     V    53_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     L    54_F     L    54_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     N    55_F     N    55_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     N    56_F     N    56_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     M    57_F     M    57_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     A    58_F     A    58_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     K    59_F     K    59_A     34   44   78     13   27   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     G    60_F     G    60_A     34   44   78     13   26   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     F    61_F     F    61_A     34   44   78      4   26   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     R    62_F     R    62_A     34   44   78      4   21   33   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     D    63_F     D    63_A     18   44   78      3   11   16   34   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     A    64_F     A    64_A     13   44   78      8   11   30   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     Q    65_F     Q    65_A     13   44   78      8   13   30   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     N    66_F     N    66_A     13   44   78      8   14   30   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     P    67_F     P    67_A     13   44   78      8   16   30   35   39   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     P    68_F     P    68_A     13   43   78      8   11   18   30   37   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     S    69_F     S    69_A     13   43   78      8   11   17   24   33   40   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     S    70_F     S    70_A     13   43   78      8   11   15   22   31   39   45   51   53   56   59   63   66   68   71   73   75   77   80   83 
LCS_GDT     F    71_F     F    71_A     13   43   78      7   11   12   16   22   33   42   49   53   56   59   62   66   68   71   73   75   77   80   83 
LCS_GDT     T    72_F     T    72_A     13   29   78      8   11   12   16   21   27   35   46   53   56   59   62   66   68   71   73   75   77   80   83 
LCS_GDT     L    73_F     L    73_A     13   18   78      6   11   11   15   21   27   32   39   48   56   59   62   66   68   71   73   75   77   80   83 
LCS_GDT     G    74_F     G    74_A     12   18   78      3    6   10   14   17   22   33   41   53   56   59   62   65   68   71   73   75   77   80   83 
LCS_GDT     G    75_F     G    75_A      4   16   78      3    3    5    7   11   20   41   45   49   55   58   61   64   68   71   73   75   77   80   83 
LCS_GDT     H    76_F     H    76_A      5    8   78      3    4    5    7    8    9   11   20   28   34   46   57   61   64   67   70   72   77   80   83 
LCS_GDT     C    77_F     C    77_A      5    7   78      3    4    5    6    9   11   15   17   26   36   50   57   61   64   67   70   72   77   80   83 
LCS_GDT     Q    78_F     Q    78_A      5    7   78      3    4    5    6    7    7    8   13   17   20   27   44   48   56   66   69   72   75   79   83 
LCS_GDT     A    79_F     A    79_A      5    7   75      3    4    5    6    7    9   16   18   19   33   48   57   61   64   67   70   72   77   80   83 
LCS_GDT     P    80_F     P    80_A      5    7   75      3    4    5    6   37   40   42   43   46   48   53   58   62   65   67   70   74   77   80   83 
LCS_GDT     L    81_F     L    81_A      4    7   75      1    3    5   10   38   40   42   43   47   53   58   61   64   66   71   73   75   77   80   83 
LCS_GDT     N    82_F     N    82_A      4    7   74      3    4    4    6    7   11   16   18   19   25   28   36   42   48   60   66   72   75   79   83 
LCS_GDT     A    83_F     A    83_A      4    6   72      3    4    4    6    7    9   14   18   19   24   28   33   39   48   52   64   68   75   78   83 
LCS_GDT     F    84_F     F    84_A      4    9   71      3    4    4    6    7   11   16   18   19   20   23   26   30   34   37   44   54   59   67   75 
LCS_GDT     S    85_F     S    85_A      5    9   68      3    6    6    7    8   11   16   18   19   20   23   26   30   34   37   41   46   59   63   69 
LCS_GDT     F    86_F     F    86_A      5    9   23      3    6    6    7    8   11   16   18   19   20   23   26   30   34   37   41   46   49   53   57 
LCS_GDT     V    87_F     V    87_A      5    9   23      3    6    6    7    8   11   16   18   19   20   23   26   29   33   37   41   46   49   52   57 
LCS_GDT     L    88_F     L    88_A      5    9   23      4    6    6    7    8   11   16   18   19   20   23   26   28   30   34   39   42   47   51   57 
LCS_GDT     P    89_F     P    89_A      5    9   23      4    5    5    7    8   11   16   18   19   20   23   26   27   30   34   37   41   47   51   55 
LCS_GDT     G    90_F     G    90_A      4    9   23      4    5    5    7    8   11   16   18   19   20   23   26   27   30   34   37   41   44   50   54 
LCS_GDT     V    91_F     V    91_A      4    9   23      4    4    5    7    8   11   16   18   19   20   23   26   28   30   34   38   42   47   51   55 
LCS_GDT     N    92_F     N    92_A      4    9   23      3    3    5    7    8   11   15   18   19   20   23   26   28   33   35   39   42   47   51   57 
LCS_GDT     D    93_F     D    93_A      4    9   24      3    3    5    6    7   10   16   18   19   20   23   26   29   34   37   41   46   49   52   57 
LCS_GDT     R    94_F     R    94_A      4    4   24      3    3    5    5    5    6    8   11   16   19   23   26   28   30   37   41   46   49   51   57 
LCS_GDT     A    95_F     A    95_A      4   16   24      3    3    5    5    5    5   12   17   17   19   22   22   28   31   37   41   46   49   51   57 
LCS_GDT     T    96_F     T    96_A      5   16   24      3    3   11   13   14   15   16   17   17   19   22   22   28   31   37   41   46   49   52   57 
LCS_GDT     V    97_F     V    97_A      5   16   24      3    3   11   13   14   15   16   17   17   19   22   25   29   34   37   41   46   49   53   57 
LCS_GDT     A    98_F     A    98_A     10   16   24      5    7   12   13   13   15   16   17   17   19   22   22   24   27   30   36   42   47   51   55 
LCS_GDT     T    99_F     T    99_A     12   16   24      5    8   12   13   14   15   16   17   17   19   22   22   28   31   35   39   43   47   51   55 
LCS_GDT     A   100_F     A   100_A     12   16   24      5    8   12   13   14   15   16   17   17   19   22   26   30   34   37   41   48   52   53   57 
LCS_GDT     D   101_F     D   101_A     12   16   24      5    8   12   13   14   15   16   17   17   19   22   25   32   36   42   44   52   59   63   66 
LCS_GDT     E   102_F     E   102_A     12   16   24      5    9   12   13   14   15   16   17   17   19   22   25   30   33   37   41   52   59   63   66 
LCS_GDT     A   103_F     A   103_A     12   16   24      5    9   12   13   14   15   16   17   19   25   28   36   42   48   52   64   65   73   76   82 
LCS_GDT     K   104_F     K   104_A     12   16   24      5    9   12   13   14   15   16   17   21   30   40   48   54   62   66   70   72   75   80   83 
LCS_GDT     K   105_F     K   105_A     12   16   24      5    9   12   13   14   15   16   17   17   19   22   22   30   47   53   67   72   75   80   83 
LCS_GDT     W   106_F     W   106_A     12   16   24      5    9   12   13   14   15   16   17   17   19   22   29   55   63   67   70   74   77   80   83 
LCS_GDT     E   107_F     E   107_A     12   16   24      4    9   12   13   14   15   16   17   17   19   45   51   56   63   67   70   75   77   80   83 
LCS_GDT     N   108_F     N   108_A     12   16   24      4    9   12   13   14   15   16   17   17   19   22   22   45   58   62   71   74   76   79   82 
LCS_GDT     C   109_F     C   109_A     12   16   24      4    9   12   13   14   15   16   17   17   19   22   22   24   27   50   61   68   75   79   82 
LCS_GDT     D   110_F     D   110_A     12   16   24      3    9   12   13   14   15   16   17   17   18   19   31   39   45   55   62   68   72   76   82 
LCS_GDT     A   111_F     A   111_A      3   15   24      0    7    8    8   12   16   22   26   30   34   43   51   57   61   66   68   74   75   79   82 
LCS_GDT     T   112_F     T   112_A      3    3   24      1    3    5    7   12   16   22   26   30   36   43   51   57   61   64   68   72   75   79   82 
LCS_GDT     L   113_F     L   113_A      3    3   24      0    3    6    7   12   16   22   26   30   43   50   53   58   62   69   71   75   77   79   82 
LCS_GDT     T   114_F     T   114_A      3    3   24      0    4    5    6    7   11   13   15   17   21   22   28   31   34   46   49   61   61   65   66 
LCS_GDT     G   115_F     G   115_A      3    3   24      0    3    3    4    5    6    8   10   14   18   18   22   24   27   29   33   36   37   50   53 
LCS_GDT     L   116_F     L   116_A      3    3   24      0    3    4    4    4    9    9   12   16   19   19   24   24   26   29   33   36   37   43   49 
LCS_GDT     Q   117_F     Q   117_A      3    3   21      0    3    4    4    5   11   12   15   16   19   19   24   26   29   35   37   43   46   53   69 
LCS_GDT     R   118_F     R   118_A      3    3    9      0    6    6    6    6   11   11   12   16   19   19   24   26   29   29   33   34   37   41   49 
LCS_GDT     I   119_F     I   119_A      3    3    9      3    3    3    3    5    6    9   12   14   18   18   24   26   29   30   33   37   40   46   57 
LCS_GDT     I   120_F     I   120_A      3    3    9      3    3    3    3    3    6    8   11   14   18   18   19   22   26   29   33   45   46   53   63 
LCS_GDT     H   121_F     H   121_A      3    3    9      3    3    3    3    3    4    6    8   10   12   16   19   22   26   29   33   34   35   44   57 
LCS_GDT     H   122_F     H   122_A      3    3    9      0    3    3    3    3    3    6    6    7    9   15   18   22   26   29   33   34   36   44   48 
LCS_GDT     H   123_F     H   123_A      3    3    9      0    3    3    3    3    3    6    6    7    9   10   18   20   26   29   33   34   34   44   46 
LCS_GDT     H   124_F     H   124_A      0    3    9      0    0    3    3    3    3    4    5    6    6    7    7   10   20   22   27   30   32   44   46 
LCS_AVERAGE  LCS_A:  26.29  (  11.80   18.85   48.22 )

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     27     33     35     39     40     45     51     53     56     59     63     66     68     71     73     75     77     80     83 
GDT PERCENT_AT  11.29  21.77  26.61  28.23  31.45  32.26  36.29  41.13  42.74  45.16  47.58  50.81  53.23  54.84  57.26  58.87  60.48  62.10  64.52  66.94
GDT RMS_LOCAL    0.34   0.74   0.88   1.00   1.27   1.34   2.03   2.43   2.53   2.75   3.05   3.73   3.74   3.84   4.18   4.36   4.46   4.64   5.17   5.42
GDT RMS_ALL_AT  13.93  13.45  13.52  13.58  13.52  13.53  13.21  13.24  13.23  13.24  13.27  13.47  13.41  13.42  13.38  13.39  13.40  13.37  12.99  12.97

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F    18_F      F    18_A
#   possible swapping detected:  D    22_F      D    22_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  F    61_F      F    61_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  E   107_F      E   107_A
#   possible swapping detected:  D   110_F      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     3.398     0    0.055   1.056    10.631   48.571   28.690
LGA    F     2_F      F     2_A     4.045     0    0.180   0.756    10.521   43.690   21.385
LGA    T     3_F      T     3_A     7.446     0    0.671   1.239     9.975    8.690    5.442
LGA    G     4_F      G     4_A    10.895     0    0.673   0.673    10.895    0.357    0.357
LGA    W     5_F      W     5_A     9.649     0    0.099   1.200    15.720    2.619    0.952
LGA    S     6_F      S     6_A     7.968     0    0.052   0.162     8.735    4.881    5.238
LGA    P     7_F      P     7_A    10.137     0    0.620   0.592    11.660    0.833    0.680
LGA    F     8_F      F     8_A     8.102     0    0.119   1.412     8.499    4.762   13.983
LGA    K     9_F      K     9_A     9.353     0    0.065   0.454    18.753    2.143    0.952
LGA    Y    10_F      Y    10_A     7.016     0    0.116   1.256    13.262    5.119    6.190
LGA    S    11_F      S    11_A    10.785     0    0.142   0.574    12.837    1.667    1.111
LGA    K    12_F      K    12_A    10.256     0    0.070   0.399    14.814    0.357    0.159
LGA    G    13_F      G    13_A     7.272     0    0.201   0.201     7.912   10.952   10.952
LGA    N    14_F      N    14_A     7.108     0    0.476   0.405    13.472   13.452    6.845
LGA    T    15_F      T    15_A     4.377     0    0.053   0.186     4.919   35.714   36.327
LGA    V    16_F      V    16_A     4.003     0    0.085   0.106     4.171   38.690   38.027
LGA    T    17_F      T    17_A     3.314     0    0.018   0.077     3.528   48.333   51.088
LGA    F    18_F      F    18_A     3.702     0    0.065   1.195     6.853   46.667   34.286
LGA    K    19_F      K    19_A     2.643     0    0.032   0.806     4.399   53.571   58.519
LGA    T    20_F      T    20_A     3.718     0    0.023   0.132     5.074   52.024   44.966
LGA    P    21_F      P    21_A     4.514     0    0.644   0.652     6.908   27.024   24.694
LGA    D    22_F      D    22_A     3.822     0    0.606   0.943     6.456   34.167   48.571
LGA    E    23_F      E    23_A     7.287     0    0.320   0.363    11.625   11.071    5.397
LGA    S    24_F      S    24_A     7.075     0    0.643   0.611     9.734    8.690   13.016
LGA    S    25_F      S    25_A     8.301     0    0.628   0.880    10.580   11.310    7.778
LGA    I    26_F      I    26_A     5.896     0    0.150   1.285     6.893   18.333   16.310
LGA    A    27_F      A    27_A     7.698     0    0.040   0.058     8.912   10.952    9.333
LGA    Y    28_F      Y    28_A     6.083     0    0.022   0.321     9.830   24.286   11.706
LGA    M    29_F      M    29_A     3.416     0    0.166   1.131     4.432   46.786   45.952
LGA    R    30_F      R    30_A     2.795     0    0.188   1.529     9.988   51.905   31.385
LGA    F    31_F      F    31_A     1.741     0    0.068   0.121     1.927   72.857   75.974
LGA    R    32_F      R    32_A     2.262     0    0.064   0.889     5.938   62.857   49.567
LGA    N    33_F      N    33_A     2.538     0    0.023   0.098     4.440   62.857   53.155
LGA    C    34_F      C    34_A     1.236     0    0.219   0.234     1.553   79.286   81.508
LGA    V    35_F      V    35_A     1.630     0    0.074   0.066     2.799   70.833   67.143
LGA    F    36_F      F    36_A     1.358     0    0.085   0.390     4.683   88.333   64.545
LGA    T    37_F      T    37_A     1.949     0    0.035   0.047     2.951   66.905   65.986
LGA    F    38_F      F    38_A     2.458     0    0.035   0.087     2.698   68.810   65.628
LGA    T    39_F      T    39_A     2.397     0    0.129   1.008     5.588   55.595   50.136
LGA    D    40_F      D    40_A     2.439     0    0.042   0.088     2.766   60.952   66.964
LGA    P    41_F      P    41_A     3.519     0    0.040   0.157     4.834   51.905   45.646
LGA    K    42_F      K    42_A     1.422     0    0.028   0.357     4.795   79.524   65.397
LGA    G    43_F      G    43_A     1.793     0    0.020   0.020     2.067   75.119   75.119
LGA    S    44_F      S    44_A     0.885     0    0.067   0.176     1.799   90.476   86.032
LGA    L    45_F      L    45_A     1.032     0    0.070   0.807     3.498   85.952   73.690
LGA    H    46_F      H    46_A     0.619     0    0.051   0.105     2.215   95.238   82.762
LGA    S    47_F      S    47_A     1.013     0    0.076   0.666     2.236   75.119   77.302
LGA    I    48_F      I    48_A     2.522     0    0.073   1.275     6.447   71.071   55.000
LGA    D    49_F      D    49_A     2.119     0    0.014   0.154     2.718   66.786   63.869
LGA    V    50_F      V    50_A     1.230     0    0.069   0.088     1.889   85.952   84.082
LGA    T    51_F      T    51_A     1.138     0    0.022   0.045     2.075   83.690   77.891
LGA    E    52_F      E    52_A     1.585     0    0.090   1.074     7.679   81.548   51.746
LGA    V    53_F      V    53_A     1.253     0    0.068   0.101     2.223   83.690   77.891
LGA    L    54_F      L    54_A     0.930     0    0.022   0.075     1.478   85.952   83.690
LGA    N    55_F      N    55_A     0.983     0    0.022   0.138     1.882   88.214   83.750
LGA    N    56_F      N    56_A     0.628     0    0.031   0.089     1.462   85.952   84.821
LGA    M    57_F      M    57_A     1.713     0    0.035   0.165     2.293   72.976   70.893
LGA    A    58_F      A    58_A     2.133     0    0.038   0.044     2.348   68.810   68.000
LGA    K    59_F      K    59_A     1.229     0    0.141   0.853     6.797   75.119   60.582
LGA    G    60_F      G    60_A     2.081     0    0.186   0.186     3.352   61.190   61.190
LGA    F    61_F      F    61_A     3.127     0    0.197   1.230     7.472   53.690   36.537
LGA    R    62_F      R    62_A     3.270     0    0.108   1.551     6.857   53.571   40.693
LGA    D    63_F      D    63_A     3.043     0    0.030   0.294     4.368   53.571   46.905
LGA    A    64_F      A    64_A     2.298     0    0.062   0.069     2.539   62.857   63.238
LGA    Q    65_F      Q    65_A     1.951     0    0.058   0.332     3.569   77.381   63.862
LGA    N    66_F      N    66_A     0.693     0    0.040   0.822     2.448   92.976   86.310
LGA    P    67_F      P    67_A     0.952     0    0.121   0.252     1.506   90.476   86.667
LGA    P    68_F      P    68_A     1.618     0    0.090   0.107     2.408   70.952   70.680
LGA    S    69_F      S    69_A     2.708     0    0.162   0.236     3.296   59.048   57.222
LGA    S    70_F      S    70_A     3.500     0    0.043   0.132     4.313   43.452   44.524
LGA    F    71_F      F    71_A     4.394     0    0.033   1.283     8.405   35.714   25.541
LGA    T    72_F      T    72_A     5.024     0    0.029   0.034     5.958   25.119   28.639
LGA    L    73_F      L    73_A     5.975     0    0.101   1.306    10.047   28.095   18.750
LGA    G    74_F      G    74_A     5.289     0    0.605   0.605     6.048   32.619   32.619
LGA    G    75_F      G    75_A     6.038     0    0.123   0.123     7.646   13.929   13.929
LGA    H    76_F      H    76_A    10.085     0    0.272   1.166    11.855    1.190    3.286
LGA    C    77_F      C    77_A     9.680     0    0.528   0.919     9.788    0.952    1.349
LGA    Q    78_F      Q    78_A    11.072     0    0.240   1.192    16.740    0.000    0.000
LGA    A    79_F      A    79_A    10.121     0    0.110   0.213    10.182    1.548    1.333
LGA    P    80_F      P    80_A     9.008     0    0.406   0.533    11.566    1.190    0.748
LGA    L    81_F      L    81_A     6.657     0    0.669   1.260    10.576    7.024   22.917
LGA    N    82_F      N    82_A    13.437     0    0.717   1.132    16.394    0.000    0.000
LGA    A    83_F      A    83_A    14.944     0    0.108   0.125    16.899    0.000    0.000
LGA    F    84_F      F    84_A    16.897     0    0.525   0.458    17.986    0.000    0.000
LGA    S    85_F      S    85_A    17.279     0    0.677   0.890    17.848    0.000    0.000
LGA    F    86_F      F    86_A    18.818     0    0.110   0.302    22.545    0.000    0.000
LGA    V    87_F      V    87_A    23.789     0    0.078   0.429    27.188    0.000    0.000
LGA    L    88_F      L    88_A    26.541     0    0.227   1.476    29.311    0.000    0.000
LGA    P    89_F      P    89_A    29.758     0    0.095   0.103    32.329    0.000    0.000
LGA    G    90_F      G    90_A    33.426     0    0.026   0.026    34.135    0.000    0.000
LGA    V    91_F      V    91_A    30.431     0    0.570   0.680    31.068    0.000    0.000
LGA    N    92_F      N    92_A    26.985     0    0.474   1.284    28.047    0.000    0.000
LGA    D    93_F      D    93_A    25.644     0    0.240   1.216    27.277    0.000    0.000
LGA    R    94_F      R    94_A    29.453     0    0.559   0.572    37.853    0.000    0.000
LGA    A    95_F      A    95_A    28.406     0    0.582   0.529    29.509    0.000    0.000
LGA    T    96_F      T    96_A    28.392     0    0.614   0.610    29.686    0.000    0.000
LGA    V    97_F      V    97_A    24.690     0    0.110   0.128    26.676    0.000    0.000
LGA    A    98_F      A    98_A    28.344     0    0.711   0.656    29.183    0.000    0.000
LGA    T    99_F      T    99_A    28.784     0    0.068   0.091    32.929    0.000    0.000
LGA    A   100_F      A   100_A    24.922     0    0.066   0.063    26.872    0.000    0.000
LGA    D   101_F      D   101_A    23.088     0    0.059   1.000    27.825    0.000    0.000
LGA    E   102_F      E   102_A    21.351     0    0.101   1.385    26.989    0.000    0.000
LGA    A   103_F      A   103_A    16.702     0    0.019   0.036    18.773    0.000    0.000
LGA    K   104_F      K   104_A    13.313     0    0.076   1.250    16.721    0.119    0.053
LGA    K   105_F      K   105_A    12.820     0    0.122   0.265    23.373    0.000    0.000
LGA    W   106_F      W   106_A     9.672     0    0.080   0.122    16.370    2.500    0.714
LGA    E   107_F      E   107_A     8.270     0    0.012   1.124    10.955    3.214    2.011
LGA    N   108_F      N   108_A    10.943     0    0.015   0.112    13.308    0.357    0.179
LGA    C   109_F      C   109_A    11.227     0    0.640   0.664    11.847    0.000    0.000
LGA    D   110_F      D   110_A    12.973     0    0.547   1.239    16.988    0.000    0.000
LGA    A   111_F      A   111_A    12.655     0    0.630   0.607    14.626    0.000    0.000
LGA    T   112_F      T   112_A    12.710     0    0.591   1.379    14.148    0.000    0.000
LGA    L   113_F      L   113_A    10.395     0    0.610   1.342    13.426    0.000   12.857
LGA    T   114_F      T   114_A    16.155     0    0.604   1.400    19.999    0.000    0.000
LGA    G   115_F      G   115_A    19.033     0    0.536   0.536    20.416    0.000    0.000
LGA    L   116_F      L   116_A    17.927     0    0.615   1.047    19.996    0.000    0.000
LGA    Q   117_F      Q   117_A    15.718     0    0.596   1.194    19.042    0.000    0.000
LGA    R   118_F      R   118_A    20.921     0    0.606   1.531    28.598    0.000    0.000
LGA    I   119_F      I   119_A    19.475     0    0.610   0.583    20.559    0.000    0.000
LGA    I   120_F      I   120_A    16.953     0    0.620   0.537    17.659    0.000    0.000
LGA    H   121_F      H   121_A    20.920     0    0.640   0.496    24.147    0.000    0.000
LGA    H   122_F      H   122_A    24.254     0    0.651   1.428    25.723    0.000    0.000
LGA    H   123_F      H   123_A    24.931     0    0.707   1.225    27.843    0.000    0.000
LGA    H   124_F      H   124_A    25.116     0    0.044   0.495    27.134    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               124
SUMMARY(RMSD_GDC):    11.944         11.895                 12.337           30.103   27.515

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     51    2.43    37.500    33.373     2.015

LGA_LOCAL      RMSD:   2.431  Number of atoms:   51  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.240  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  11.944  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.987263 * X  +  -0.139475 * Y  +  -0.076542 * Z  + -58.638962
  Y_new =   0.013714 * X  +  -0.553916 * Y  +   0.832459 * Z  +  13.009431
  Z_new =  -0.158505 * X  +   0.820807 * Y  +   0.548774 * Z  +   2.181109 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.127703  0.159176  0.981471   [DEG:  179.2042    9.1201   56.2342 ]
ZXZ: -3.049903  0.989900 -0.190761   [DEG: -174.7466   56.7171  -10.9298 ]
 
# END of job
