
#######################################################
#                                                     #
#                        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:    73       1_A - 73_A        4.73    13.00
  LCS_AVERAGE:     42.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56       9_A - 64_A        1.97    12.98
  LONGEST_CONTINUOUS_SEGMENT:    56      10_A - 65_A        1.96    12.99
  LONGEST_CONTINUOUS_SEGMENT:    56      11_A - 66_A        1.99    12.99
  LCS_AVERAGE:     26.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      25_A - 62_A        0.98    12.97
  LONGEST_CONTINUOUS_SEGMENT:    38      26_A - 63_A        0.96    12.98
  LCS_AVERAGE:     13.32

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      5    5   73      4    4    5    5   18   33   45   52   64   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F     2_F     F     2_A      5   10   73      4    4    5    7   24   41   51   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     T     3_F     T     3_A      5   13   73      4   17   30   43   47   56   58   62   66   69   72   75   81   84   85   87   88   90   91   91 
LCS_GDT     G     4_F     G     4_A      7   15   73      4    6   12   23   32   42   54   58   63   69   70   73   78   83   85   87   88   90   91   91 
LCS_GDT     W     5_F     W     5_A      8   15   73      4    9   15   29   47   56   58   62   66   69   72   75   81   84   85   87   88   90   91   91 
LCS_GDT     S     6_F     S     6_A      8   15   73      4    9   15   29   47   56   58   62   66   69   72   75   81   84   85   87   88   90   91   91 
LCS_GDT     P     7_F     P     7_A      8   15   73      4    9   21   33   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F     8_F     F     8_A      9   55   73      4    9   16   30   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     K     9_F     K     9_A      9   56   73      4    9   14   29   42   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     Y    10_F     Y    10_A      9   56   73      4    9   19   30   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     S    11_F     S    11_A      9   56   73      4   10   22   34   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     K    12_F     K    12_A      9   56   73      4    7   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     G    13_F     G    13_A      9   56   73      4   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     N    14_F     N    14_A      9   56   73      4   17   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     T    15_F     T    15_A      9   56   73      4    7   37   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     V    16_F     V    16_A      9   56   73      4    5   13   41   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     T    17_F     T    17_A      7   56   73      4    5   14   41   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F    18_F     F    18_A      7   56   73      4    5    8   29   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     K    19_F     K    19_A      7   56   73      4    5    7   33   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     T    20_F     T    20_A      6   56   73      4   24   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     P    21_F     P    21_A      6   56   73      4    7   23   39   46   49   56   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     D    22_F     D    22_A      6   56   73      4    5    7   36   46   49   54   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     E    23_F     E    23_A      5   56   73      3    4    7   22   45   49   52   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     S    24_F     S    24_A      4   56   73      3    4    7   34   46   49   56   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     S    25_F     S    25_A     38   56   73      3    6   20   33   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     I    26_F     I    26_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     A    27_F     A    27_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     Y    28_F     Y    28_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     M    29_F     M    29_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     R    30_F     R    30_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F    31_F     F    31_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     R    32_F     R    32_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     N    33_F     N    33_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     C    34_F     C    34_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     V    35_F     V    35_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F    36_F     F    36_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     T    37_F     T    37_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F    38_F     F    38_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     T    39_F     T    39_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     D    40_F     D    40_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     P    41_F     P    41_A     38   56   73     13   28   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     K    42_F     K    42_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   80   84   85   87   88   90   91   91 
LCS_GDT     G    43_F     G    43_A     38   56   73     12   21   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     S    44_F     S    44_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     L    45_F     L    45_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     H    46_F     H    46_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     S    47_F     S    47_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     I    48_F     I    48_A     38   56   73     20   29   37   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     D    49_F     D    49_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     V    50_F     V    50_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     T    51_F     T    51_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     E    52_F     E    52_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     V    53_F     V    53_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     L    54_F     L    54_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     N    55_F     N    55_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     N    56_F     N    56_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     M    57_F     M    57_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     A    58_F     A    58_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     K    59_F     K    59_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     G    60_F     G    60_A     38   56   73     20   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F    61_F     F    61_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     R    62_F     R    62_A     38   56   73     13   29   40   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     D    63_F     D    63_A     38   56   73      4    7   35   43   47   56   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     A    64_F     A    64_A     17   56   73      4   11   33   43   46   51   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     Q    65_F     Q    65_A      7   56   73      3    6   25   39   46   49   58   62   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     N    66_F     N    66_A      7   56   73      3    6    9   21   42   49   51   57   65   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     P    67_F     P    67_A      7   51   73      4    5    7   20   36   48   51   58   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     P    68_F     P    68_A      6   44   73      4    5    7    8    9   11   14   19   30   44   55   62   74   78   85   87   88   90   91   91 
LCS_GDT     S    69_F     S    69_A      6   10   73      4    5    7    8    9   11   13   14   15   16   16   23   31   38   53   76   81   90   91   91 
LCS_GDT     S    70_F     S    70_A      6   10   73      4    5    7    8    9   11   13   14   15   16   16   17   21   23   30   38   45   56   68   83 
LCS_GDT     F    71_F     F    71_A      5   10   73      1    4    7    8    9   11   13   14   15   16   16   18   28   40   52   63   80   90   91   91 
LCS_GDT     T    72_F     T    72_A      5   10   73      1    4    5    7    9   11   13   14   15   16   16   18   20   22   26   36   48   63   71   77 
LCS_GDT     L    73_F     L    73_A      5   10   73      1    4    5    7    8   11   13   14   15   16   16   18   20   22   29   35   43   54   68   72 
LCS_GDT     G    74_F     G    74_A      5    8   20      3    4    5    6    9   11   13   14   15   16   16   18   19   22   25   29   33   36   39   47 
LCS_GDT     G    75_F     G    75_A      5    8   20      3    3    5    6    9   11   13   14   15   16   16   18   19   28   28   36   38   39   49   51 
LCS_GDT     H    76_F     H    76_A      4    7   21      3    4    5    6    9   11   13   14   17   19   27   29   35   38   47   48   53   58   69   74 
LCS_GDT     C    77_F     C    77_A      5    6   21      3    4    5    6    7    8   10   13   19   26   28   33   40   43   53   58   69   71   82   89 
LCS_GDT     Q    78_F     Q    78_A      5    6   21      3    4    5    6   11   16   28   35   50   57   70   78   81   84   85   87   88   90   91   91 
LCS_GDT     A    79_F     A    79_A      5    6   21      3    4    5    6    8   12   15   18   22   45   55   64   75   84   85   87   88   90   91   91 
LCS_GDT     P    80_F     P    80_A      5    6   21      3    9   11   14   21   26   37   49   62   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     L    81_F     L    81_A      5    6   21      3    4   11   14   21   33   47   52   63   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     N    82_F     N    82_A      5    6   21      4    4    8   12   13   14   35   38   44   57   62   74   80   84   85   87   88   90   91   91 
LCS_GDT     A    83_F     A    83_A      5    6   21      4    4    5    5   10   10   12   14   17   24   27   33   42   46   57   60   70   81   91   91 
LCS_GDT     F    84_F     F    84_A      5   11   21      4    4    5    6   12   19   35   38   44   53   68   75   81   84   85   87   88   90   91   91 
LCS_GDT     S    85_F     S    85_A     10   12   27      4    9   11   12   14   32   41   56   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     F    86_F     F    86_A     10   12   29      4    9   11   12   15   17   32   52   66   69   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     V    87_F     V    87_A     10   12   29      7    9   11   12   15   17   27   33   58   66   71   78   81   84   85   87   88   90   91   91 
LCS_GDT     L    88_F     L    88_A     10   12   29      7    9   11   12   15   17   27   39   58   66   71   78   81   84   85   87   88   90   91   91 
LCS_GDT     P    89_F     P    89_A     10   12   29      7    9   11   12   15   17   27   33   51   66   71   78   81   84   85   87   88   90   91   91 
LCS_GDT     G    90_F     G    90_A     10   12   29      7    9   11   12   15   17   27   36   58   66   71   78   81   84   85   87   88   90   91   91 
LCS_GDT     V    91_F     V    91_A     10   12   29      7    9   11   12   21   30   39   47   58   66   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     N    92_F     N    92_A     10   12   29      7    9   11   12   15   30   39   47   58   68   72   78   81   84   85   87   88   90   91   91 
LCS_GDT     D    93_F     D    93_A     10   12   29      7    9   11   12   15   17   32   46   58   66   71   78   81   84   85   87   88   90   91   91 
LCS_GDT     R    94_F     R    94_A     10   12   29      4    9   10   12   15   17   27   34   51   66   70   78   81   84   85   87   88   90   91   91 
LCS_GDT     A    95_F     A    95_A      5   12   29      4    4    8   12   15   17   25   36   51   66   70   78   81   84   85   87   88   90   91   91 
LCS_GDT     T    96_F     T    96_A      5   15   29      4    5    8   13   15   17   27   33   51   66   71   78   81   84   85   87   88   90   91   91 
LCS_GDT     V    97_F     V    97_A      5   15   29      3    3    6    6    7   11   12   18   23   55   62   74   79   83   85   87   88   90   91   91 
LCS_GDT     A    98_F     A    98_A      9   15   29      3    6    9   13   14   16   17   18   20   35   65   68   75   79   85   87   88   90   91   91 
LCS_GDT     T    99_F     T    99_A      9   15   29      4    6    9   13   14   16   17   18   20   23   24   38   59   69   73   77   80   86   88   90 
LCS_GDT     A   100_F     A   100_A      9   15   29      4    6    9   13   14   16   17   18   20   23   24   24   26   29   33   66   68   70   76   81 
LCS_GDT     D   101_F     D   101_A      9   15   29      4    7   10   13   14   16   17   18   20   23   24   52   58   61   72   75   75   77   81   85 
LCS_GDT     E   102_F     E   102_A      9   15   29      5    7   10   13   14   16   25   34   45   62   67   69   72   73   74   77   82   84   88   90 
LCS_GDT     A   103_F     A   103_A      9   15   29      5    7   10   13   14   16   17   18   20   23   24   24   26   38   64   70   73   76   79   84 
LCS_GDT     K   104_F     K   104_A      9   15   29      5    7   10   13   14   16   17   18   20   23   24   24   26   29   30   32   34   36   67   78 
LCS_GDT     K   105_F     K   105_A      9   15   29      5    7   10   13   14   16   17   18   20   23   26   30   33   41   58   70   73   75   77   78 
LCS_GDT     W   106_F     W   106_A      9   15   29      5    7   10   13   14   16   17   18   20   23   26   30   33   49   64   70   73   75   77   79 
LCS_GDT     E   107_F     E   107_A      8   15   29      4    7   10   13   14   16   17   18   20   23   24   24   26   29   30   32   34   36   38   40 
LCS_GDT     N   108_F     N   108_A      8   15   29      4    4   10   12   14   16   17   18   20   23   24   24   26   29   30   32   34   36   37   40 
LCS_GDT     C   109_F     C   109_A      7   15   29      4    4   10   13   14   16   17   18   20   23   24   24   26   29   30   32   34   36   38   70 
LCS_GDT     D   110_F     D   110_A      5   15   29      3    3    6   13   14   16   17   18   20   23   24   24   26   29   30   32   34   36   38   40 
LCS_GDT     A   111_F     A   111_A      3    3   29      0    3    3    3    6   10   13   18   20   23   24   24   26   28   30   32   34   36   37   40 
LCS_GDT     T   112_F     T   112_A      3    3   29      1    3    3    3    6    8   12   15   20   23   24   24   26   28   30   32   34   36   37   40 
LCS_GDT     L   113_F     L   113_A      3    3   29      0    3    3    6    7    8   12   15   20   23   24   24   26   28   30   32   34   36   37   40 
LCS_GDT     T   114_F     T   114_A      3    3   29      0    3    3    6    7    7    8    9   12   17   21   24   26   27   30   32   33   36   37   40 
LCS_GDT     G   115_F     G   115_A      3    3   25      0    3    3    6    7    7    8    9   10   13   17   21   23   27   30   32   33   36   37   40 
LCS_GDT     L   116_F     L   116_A      3    3   25      0    3    3    3    3    4    7    8   10   12   15   20   23   24   30   32   33   36   37   40 
LCS_GDT     Q   117_F     Q   117_A      3    3   25      1    3    3    4    4    5    7    8   12   14   17   20   23   26   30   32   33   34   36   38 
LCS_GDT     R   118_F     R   118_A      3    3    9      0    3    3    4    4    5    6    8   10   11   17   20   21   22   24   24   29   34   35   37 
LCS_GDT     I   119_F     I   119_A      3    3    9      3    3    3    4    4    5    5    5    7    9   13   20   21   22   23   24   29   34   35   37 
LCS_GDT     I   120_F     I   120_A      3    3    9      3    3    3    3    3    4    4    5    7    9   12   14   14   17   23   26   29   34   35   38 
LCS_GDT     H   121_F     H   121_A      3    3    9      3    3    3    3    3    4    4    5    7    8    8    9   12   15   16   17   19   25   27   38 
LCS_GDT     H   122_F     H   122_A      3    3    9      0    3    3    3    3    3    4    5    7    8    8    8   11   14   15   17   18   24   27   29 
LCS_GDT     H   123_F     H   123_A      3    3    9      0    3    3    3    3    3    4    5    6    7    7    8   10   13   15   15   18   24   27   29 
LCS_GDT     H   124_F     H   124_A      3    3    9      0    3    3    3    3    3    4    5    6    6    7    7    8    8    9   10   17   24   27   29 
LCS_AVERAGE  LCS_A:  27.37  (  13.32   26.09   42.69 )

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     20     29     40     43     47     56     58     62     66     69     72     78     81     84     85     87     88     90     91     91 
GDT PERCENT_AT  16.13  23.39  32.26  34.68  37.90  45.16  46.77  50.00  53.23  55.65  58.06  62.90  65.32  67.74  68.55  70.16  70.97  72.58  73.39  73.39
GDT RMS_LOCAL    0.33   0.64   0.91   1.08   1.33   1.76   1.92   2.19   2.49   2.68   3.06   3.86   3.95   4.12   4.11   4.26   4.36   4.70   4.85   4.85
GDT RMS_ALL_AT  12.89  12.90  13.00  12.98  13.01  13.06  13.03  12.99  12.92  12.97  12.80  12.68  12.73  12.72  12.72  12.73  12.72  12.75  12.76  12.76

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_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    71_F      F    71_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  E   107_F      E   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     6.398     0    0.098   1.006    10.012   31.190   17.917
LGA    F     2_F      F     2_A     4.226     0    0.146   1.203    10.620   40.952   19.913
LGA    T     3_F      T     3_A     2.699     0    0.528   1.055     5.620   51.548   45.986
LGA    G     4_F      G     4_A     5.186     0    0.466   0.466     5.186   35.952   35.952
LGA    W     5_F      W     5_A     3.633     0    0.106   0.487     6.879   43.333   35.442
LGA    S     6_F      S     6_A     3.807     0    0.112   0.727     4.320   45.000   45.714
LGA    P     7_F      P     7_A     3.152     0    0.080   0.250     4.352   45.119   48.231
LGA    F     8_F      F     8_A     3.709     0    0.087   1.345     7.972   50.119   33.723
LGA    K     9_F      K     9_A     4.013     0    0.046   0.412     4.772   35.714   36.508
LGA    Y    10_F      Y    10_A     3.710     0    0.058   0.273     5.789   46.667   36.905
LGA    S    11_F      S    11_A     2.877     0    0.083   0.564     3.157   59.167   57.302
LGA    K    12_F      K    12_A     1.471     0    0.059   0.130     2.594   77.143   71.217
LGA    G    13_F      G    13_A     1.061     0    0.032   0.032     1.189   81.429   81.429
LGA    N    14_F      N    14_A     1.775     0    0.031   0.072     2.875   70.952   66.905
LGA    T    15_F      T    15_A     2.538     0    0.017   0.197     2.842   59.048   61.497
LGA    V    16_F      V    16_A     3.554     0    0.095   0.148     4.618   45.000   40.816
LGA    T    17_F      T    17_A     3.566     0    0.035   0.084     3.803   43.333   44.286
LGA    F    18_F      F    18_A     3.582     0    0.008   0.070     3.765   45.000   43.939
LGA    K    19_F      K    19_A     3.454     0    0.078   0.899     5.386   51.905   45.979
LGA    T    20_F      T    20_A     1.373     0    0.037   0.095     2.315   72.976   77.891
LGA    P    21_F      P    21_A     3.477     0    0.010   0.065     4.280   48.810   49.592
LGA    D    22_F      D    22_A     4.040     0    0.643   0.915     4.458   41.905   43.571
LGA    E    23_F      E    23_A     4.452     0    0.321   0.409     8.020   34.286   24.444
LGA    S    24_F      S    24_A     3.709     0    0.633   0.590     4.778   42.262   39.603
LGA    S    25_F      S    25_A     3.237     0    0.637   0.837     6.876   65.238   50.079
LGA    I    26_F      I    26_A     1.009     0    0.145   0.649     2.920   83.810   77.500
LGA    A    27_F      A    27_A     1.112     0    0.017   0.048     1.460   85.952   85.048
LGA    Y    28_F      Y    28_A     0.806     0    0.009   0.333     1.277   90.476   89.802
LGA    M    29_F      M    29_A     0.379     0    0.036   0.964     2.460   95.238   87.619
LGA    R    30_F      R    30_A     0.536     0    0.217   1.364     7.413   95.238   63.377
LGA    F    31_F      F    31_A     0.919     0    0.064   0.060     1.142   88.214   83.896
LGA    R    32_F      R    32_A     0.859     0    0.021   0.898     6.844   90.476   62.035
LGA    N    33_F      N    33_A     1.097     0    0.013   0.228     1.324   81.429   84.821
LGA    C    34_F      C    34_A     1.249     0    0.120   0.141     1.856   79.286   80.000
LGA    V    35_F      V    35_A     0.984     0    0.039   0.044     1.321   92.857   87.959
LGA    F    36_F      F    36_A     0.759     0    0.053   0.180     1.802   90.476   81.602
LGA    T    37_F      T    37_A     0.230     0    0.039   0.997     2.510  100.000   88.844
LGA    F    38_F      F    38_A     0.032     0    0.040   0.061     0.507  100.000   98.268
LGA    T    39_F      T    39_A     0.601     0    0.122   1.002     3.400   90.595   80.952
LGA    D    40_F      D    40_A     0.500     0    0.040   0.064     1.001   90.595   94.107
LGA    P    41_F      P    41_A     1.144     0    0.029   0.153     1.413   83.690   84.014
LGA    K    42_F      K    42_A     1.082     0    0.035   0.352     2.568   81.548   78.836
LGA    G    43_F      G    43_A     1.545     0    0.010   0.010     1.594   77.143   77.143
LGA    S    44_F      S    44_A     1.196     0    0.059   0.093     1.449   85.952   84.444
LGA    L    45_F      L    45_A     0.664     0    0.085   0.460     2.400   88.214   81.726
LGA    H    46_F      H    46_A     0.625     0    0.024   0.070     0.861   92.857   93.333
LGA    S    47_F      S    47_A     0.840     0    0.092   0.646     1.426   85.952   84.444
LGA    I    48_F      I    48_A     1.976     0    0.060   1.254     4.696   77.143   64.107
LGA    D    49_F      D    49_A     1.668     0    0.043   0.237     1.937   72.857   73.929
LGA    V    50_F      V    50_A     1.510     0    0.052   0.060     1.821   77.143   76.531
LGA    T    51_F      T    51_A     1.021     0    0.017   0.043     1.210   85.952   86.599
LGA    E    52_F      E    52_A     0.887     0    0.076   1.105     6.050   90.476   64.497
LGA    V    53_F      V    53_A     1.355     0    0.060   0.074     1.780   81.429   77.755
LGA    L    54_F      L    54_A     1.233     0    0.017   0.069     1.297   81.429   81.429
LGA    N    55_F      N    55_A     0.887     0    0.018   0.048     1.029   88.214   89.345
LGA    N    56_F      N    56_A     1.049     0    0.040   0.096     1.313   81.429   83.690
LGA    M    57_F      M    57_A     1.457     0    0.038   0.875     4.433   79.286   71.607
LGA    A    58_F      A    58_A     1.018     0    0.031   0.028     1.243   81.429   83.238
LGA    K    59_F      K    59_A     1.024     0    0.113   0.838     6.386   81.429   62.169
LGA    G    60_F      G    60_A     1.249     0    0.188   0.188     1.691   79.286   79.286
LGA    F    61_F      F    61_A     0.745     0    0.159   0.170     0.936   90.476   92.208
LGA    R    62_F      R    62_A     1.111     0    0.152   1.037     3.875   85.952   63.333
LGA    D    63_F      D    63_A     1.733     0    0.066   0.241     3.082   69.048   62.202
LGA    A    64_F      A    64_A     2.108     0    0.260   0.282     2.190   68.810   68.000
LGA    Q    65_F      Q    65_A     3.737     0    0.239   0.396     8.040   40.476   25.450
LGA    N    66_F      N    66_A     5.191     0    0.055   0.821     9.649   29.048   20.179
LGA    P    67_F      P    67_A     4.772     0    0.078   0.086     7.112   22.976   29.116
LGA    P    68_F      P    68_A     9.577     0    0.181   0.254    10.686    1.905    2.993
LGA    S    69_F      S    69_A    13.701     0    0.041   0.176    16.397    0.000    0.000
LGA    S    70_F      S    70_A    15.564     0    0.476   0.532    16.987    0.000    0.000
LGA    F    71_F      F    71_A    13.399     0    0.314   1.428    15.354    0.000    0.000
LGA    T    72_F      T    72_A    17.014     0    0.200   0.387    19.426    0.000    0.000
LGA    L    73_F      L    73_A    17.898     0    0.540   0.948    18.844    0.000    0.000
LGA    G    74_F      G    74_A    21.494     0    0.286   0.286    23.120    0.000    0.000
LGA    G    75_F      G    75_A    20.460     0    0.240   0.240    20.460    0.000    0.000
LGA    H    76_F      H    76_A    18.212     0    0.560   1.024    24.788    0.000    0.000
LGA    C    77_F      C    77_A    15.985     0    0.457   0.815    17.670    0.000    0.000
LGA    Q    78_F      Q    78_A     9.090     0    0.215   1.245    11.707    2.262    2.751
LGA    A    79_F      A    79_A     9.688     0    0.145   0.187    11.535    5.357    4.286
LGA    P    80_F      P    80_A     6.670     0    0.165   0.203     9.248   10.238    7.483
LGA    L    81_F      L    81_A     6.035     0    0.657   0.851     7.100   14.405   17.976
LGA    N    82_F      N    82_A     9.000     0    0.720   1.294    10.611    2.143    3.512
LGA    A    83_F      A    83_A    13.962     0    0.022   0.037    16.392    0.000    0.000
LGA    F    84_F      F    84_A     8.228     0    0.289   0.216    16.625   15.952    6.234
LGA    S    85_F      S    85_A     5.933     0    0.565   0.901     9.120   16.310   11.905
LGA    F    86_F      F    86_A     6.413     0    0.180   0.187     7.257   14.643   17.922
LGA    V    87_F      V    87_A     9.102     0    0.077   0.091    10.738    1.667    1.224
LGA    L    88_F      L    88_A     9.723     0    0.036   1.381    10.391    0.476    0.833
LGA    P    89_F      P    89_A    11.599     0    0.047   0.060    12.328    0.000    0.000
LGA    G    90_F      G    90_A    11.745     0    0.041   0.041    11.745    0.000    0.000
LGA    V    91_F      V    91_A     9.483     0    0.051   0.085    10.176    1.071    1.905
LGA    N    92_F      N    92_A     8.894     0    0.060   0.188     9.245    2.143    5.119
LGA    D    93_F      D    93_A    10.241     0    0.287   1.015    13.111    0.119    0.060
LGA    R    94_F      R    94_A    11.790     0    0.131   0.628    15.536    0.000    0.000
LGA    A    95_F      A    95_A    13.764     0    0.110   0.113    14.739    0.000    0.000
LGA    T    96_F      T    96_A    12.414     0    0.565   1.178    13.425    0.119    0.068
LGA    V    97_F      V    97_A    10.887     0    0.121   0.110    14.258    0.119    0.068
LGA    A    98_F      A    98_A     7.729     0    0.589   0.532     9.750    4.286    5.429
LGA    T    99_F      T    99_A     8.467     0    0.027   0.033     9.583    3.452    5.850
LGA    A   100_F      A   100_A    12.638     0    0.087   0.085    14.539    0.000    0.000
LGA    D   101_F      D   101_A    11.758     0    0.090   0.956    12.657    0.000    0.000
LGA    E   102_F      E   102_A     8.667     0    0.107   1.146    10.377    1.190    3.333
LGA    A   103_F      A   103_A    11.944     0    0.012   0.028    14.936    0.000    0.000
LGA    K   104_F      K   104_A    17.447     0    0.044   1.061    26.175    0.000    0.000
LGA    K   105_F      K   105_A    16.365     0    0.062   0.246    17.519    0.000    0.000
LGA    W   106_F      W   106_A    15.064     0    0.214   0.343    17.922    0.000    6.190
LGA    E   107_F      E   107_A    21.879     0    0.066   1.044    25.832    0.000    0.000
LGA    N   108_F      N   108_A    25.305     0    0.141   0.256    29.519    0.000    0.000
LGA    C   109_F      C   109_A    20.402     0    0.636   0.691    21.548    0.000    0.000
LGA    D   110_F      D   110_A    22.731     0    0.595   0.571    24.223    0.000    0.000
LGA    A   111_F      A   111_A    25.444     0    0.642   0.611    27.824    0.000    0.000
LGA    T   112_F      T   112_A    25.812     0    0.619   1.292    27.702    0.000    0.000
LGA    L   113_F      L   113_A    22.288     0    0.622   1.043    24.581    0.000    0.000
LGA    T   114_F      T   114_A    26.302     0    0.638   1.295    28.482    0.000    0.000
LGA    G   115_F      G   115_A    28.173     0    0.527   0.527    29.590    0.000    0.000
LGA    L   116_F      L   116_A    27.075     0    0.625   0.887    28.524    0.000    0.000
LGA    Q   117_F      Q   117_A    26.588     0    0.657   1.034    29.967    0.000    0.000
LGA    R   118_F      R   118_A    31.471     0    0.626   1.526    38.100    0.000    0.000
LGA    I   119_F      I   119_A    31.419     0    0.619   0.588    35.147    0.000    0.000
LGA    I   120_F      I   120_A    27.463     0    0.620   0.533    28.954    0.000    0.000
LGA    H   121_F      H   121_A    32.272     0    0.649   1.045    34.994    0.000    0.000
LGA    H   122_F      H   122_A    35.049     0    0.664   1.531    40.664    0.000    0.000
LGA    H   123_F      H   123_A    34.815     0    0.698   1.289    35.725    0.000    0.000
LGA    H   124_F      H   124_A    35.663     0    0.074   0.961    37.114    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):    11.967         11.920                 12.531           38.518   35.842

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     62    2.19    44.556    41.694     2.702

LGA_LOCAL      RMSD:   2.195  Number of atoms:   62  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.993  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  11.967  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.092409 * X  +  -0.468367 * Y  +   0.878688 * Z  + -64.072388
  Y_new =  -0.697248 * X  +   0.660432 * Y  +   0.278702 * Z  +  15.098764
  Z_new =  -0.710849 * X  +  -0.586909 * Y  +  -0.387598 * Z  +   0.412981 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.702563  0.790704 -2.154452   [DEG:  -97.5497   45.3040 -123.4410 ]
ZXZ:  1.877939  1.968821 -2.260980   [DEG:  107.5980  112.8051 -129.5446 ]
 
# END of job
