
#######################################################
#                                                     #
#                        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  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       1_A - 85_A        4.90    35.78
  LCS_AVERAGE:     43.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      12_A - 80_A        2.00    36.58
  LCS_AVERAGE:     30.32

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36       9_A - 44_A        1.00    35.50
  LCS_AVERAGE:     12.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
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     A     1_A     A     1_A      3    4   85      0    3    3    4    4   10   12   25   33   50   61   64   68   73   73   75   81   81   81   82 
LCS_GDT     S     2_A     S     2_A      3   43   85      0    3    3    5    7   13   52   58   61   65   76   78   80   80   81   81   81   81   81   82 
LCS_GDT     R     3_A     R     3_A      3   46   85      3    3    3   10   42   49   53   64   69   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     I     4_A     I     4_A     12   47   85      3    3    4   11   15   22   44   54   65   71   74   78   80   80   81   81   81   81   81   82 
LCS_GDT     D     5_A     D     5_A     18   47   85      5   11   15   26   36   48   53   60   69   73   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E     6_A     E     6_A     19   48   85      6   14   32   40   46   51   61   67   70   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K     7_A     K     7_A     33   48   85      6   14   32   42   46   51   64   67   70   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S     8_A     S     8_A     35   48   85      6   19   33   42   46   55   64   67   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S     9_A     S     9_A     36   48   85      6   20   33   42   50   61   65   68   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    10_A     K    10_A     36   48   85     11   28   36   45   56   62   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     A    11_A     A    11_A     36   66   85     11   27   36   45   56   62   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    12_A     K    12_A     36   69   85      6   21   36   45   56   62   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     V    13_A     V    13_A     36   69   85      6   28   36   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     N    14_A     N    14_A     36   69   85     16   31   37   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     D    15_A     D    15_A     36   69   85     11   28   37   52   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     F    16_A     F    16_A     36   69   85      6   23   36   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     L    17_A     L    17_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     A    18_A     A    18_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    19_A     E    19_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     I    20_A     I    20_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     F    21_A     F    21_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    22_A     K    22_A     36   69   85     21   31   40   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    23_A     K    23_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     I    24_A     I    24_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     G    25_A     G    25_A     36   69   85     21   31   40   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S    26_A     S    26_A     36   69   85     21   31   40   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    27_A     K    27_A     36   69   85     21   31   38   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    28_A     E    28_A     36   69   85     21   31   40   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     N    29_A     N    29_A     36   69   85     16   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     T    30_A     T    30_A     36   69   85     21   31   40   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    31_A     K    31_A     36   69   85     14   31   37   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    32_A     E    32_A     36   69   85     14   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     G    33_A     G    33_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     L    34_A     L    34_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     A    35_A     A    35_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    36_A     E    36_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     L    37_A     L    37_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     Y    38_A     Y    38_A     36   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    39_A     E    39_A     36   69   85     17   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     Y    40_A     Y    40_A     36   69   85     16   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    41_A     K    41_A     36   69   85     16   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    42_A     K    42_A     36   69   85     16   31   40   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    43_A     K    43_A     36   69   85     14   31   38   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     Y    44_A     Y    44_A     36   69   85      5   22   35   48   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S    45_A     S    45_A     35   69   85      5   22   35   48   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     D    46_A     D    46_A      4   69   85      3    4    4    8   10   28   42   55   70   73   76   78   80   80   81   81   81   81   81   82 
LCS_GDT     A    47_A     A    47_A      4   69   85      3    5   16   31   43   57   64   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     D    48_A     D    48_A     21   69   85      5   20   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     I    49_A     I    49_A     21   69   85     10   24   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    50_A     E    50_A     21   69   85     10   23   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     P    51_A     P    51_A     21   69   85     12   23   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     F    52_A     F    52_A     21   69   85     12   23   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     L    53_A     L    53_A     21   69   85     12   23   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    54_A     K    54_A     21   69   85     12   23   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     N    55_A     N    55_A     21   69   85      3   20   34   47   56   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S    56_A     S    56_A     21   69   85      5   19   33   46   56   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S    57_A     S    57_A     21   69   85      4   17   33   45   56   64   66   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     Q    58_A     Q    58_A     21   69   85      4    5   32   45   54   63   66   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     F    59_A     F    59_A     21   69   85      4   15   33   45   54   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     F    60_A     F    60_A     21   69   85      4   20   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     Q    61_A     Q    61_A     21   69   85     11   23   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S    62_A     S    62_A     21   69   85      7   20   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     Y    63_A     Y    63_A     21   69   85      7   21   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     V    64_A     V    64_A     21   69   85     12   29   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    65_A     E    65_A     21   69   85      7   26   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     R    66_A     R    66_A     21   69   85      7   21   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     G    67_A     G    67_A     21   69   85      8   28   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     L    68_A     L    68_A     21   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     R    69_A     R    69_A     19   69   85     19   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     V    70_A     V    70_A     19   69   85     21   31   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     I    71_A     I    71_A     19   69   85     12   23   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    72_A     E    72_A     19   69   85      7   21   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     M    73_A     M    73_A     19   69   85      9   28   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    74_A     E    74_A     19   69   85      7   21   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     R    75_A     R    75_A     19   69   85      7   21   41   53   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     E    76_A     E    76_A     19   69   85      5   21   36   49   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     G    77_A     G    77_A     19   69   85      7   21   34   43   55   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     K    78_A     K    78_A     19   69   85      3   19   31   43   58   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     G    79_A     G    79_A     13   69   85      3    5    6   24   49   63   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     R    80_A     R    80_A      6   69   85      2    5    9   32   56   64   67   69   71   74   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     I    81_A     I    81_A      4   34   85      3    3    4    5    8   44   54   66   70   73   77   78   80   80   81   81   81   81   81   82 
LCS_GDT     S    82_A     S    82_A      4    6   85      3    3    4    5    8    9   14   32   44   56   65   71   75   78   81   81   81   81   81   82 
LCS_GDT     T    83_A     T    83_A      4    6   85      3    3    4    4    6    8    9   10   14   16   16   17   19   24   36   58   66   75   77   81 
LCS_GDT     S    84_A     S    84_A      4    6   85      3    4    4    5    8    8    9   10   14   16   16   17   18   23   31   42   53   62   69   77 
LCS_GDT     T    85_A     T    85_A      4    6   85      0    4    4    5    8    8    9   10   13   16   16   17   18   19   20   21   26   33   40   44 
LCS_GDT     G    86_A     G    86_A      4    6   20      1    4    4    5    8    8    9   10   14   16   16   17   18   19   20   21   22   24   25   26 
LCS_GDT     I    87_A     I    87_A      4    6   20      3    4    4    4    6    6    8   10   14   16   16   17   18   19   20   21   22   24   25   26 
LCS_GDT     S    88_A     S    88_A      3    5   20      3    3    4    4    5    8    8   10   14   16   16   17   18   19   20   21   22   24   25   26 
LCS_GDT     P    89_A     P    89_A      3    5   20      3    3    4    4    4    6    7    9   14   16   16   17   18   19   20   21   22   24   24   26 
LCS_GDT     Q    90_A     Q    90_A      3    5   20      3    3    4    4    4    6    7    9   14   16   16   17   18   19   20   21   22   24   25   26 
LCS_GDT     M    91_A     M    91_A      4    6   20      3    4    5    5    5    6    7    8    9   12   15   17   18   19   20   20   21   24   24   26 
LCS_GDT     E    92_A     E    92_A      4    6   20      3    4    5    5    5    6    7    8   11   12   15   17   18   19   20   21   22   24   25   26 
LCS_GDT     V    93_A     V    93_A      4    6   20      3    4    5    5    6    7    8    9   10   12   13   16   18   20   20   21   22   24   25   26 
LCS_GDT     T    94_A     T    94_A      4    6   20      3    4    5    5    6    7    8    9   11   11   15   16   19   20   20   21   22   24   25   26 
LCS_GDT     C    95_A     C    95_A      5    8   20      3    4    5    7    8    8    8    9   11   14   16   18   19   20   20   21   22   24   25   26 
LCS_GDT     V    96_A     V    96_A      5    8   20      3    4    5    7    8    8    8    9   11   14   16   18   19   20   20   20   22   24   25   26 
LCS_GDT     P    97_A     P    97_A      5    8   20      3    4    5    7    8    8    8    9   11   14   16   18   19   20   20   20   21   22   25   26 
LCS_GDT     T    98_A     T    98_A      5    8   20      3    4    5    7    8    8    8    9   11   14   16   18   19   20   20   20   21   22   25   26 
LCS_GDT     P    99_A     P    99_A      5    8   20      3    4    5    7    8    8    8    9   11   14   16   18   19   20   20   20   21   22   22   24 
LCS_GDT     T   100_A     T   100_A      4    8   20      3    4    5    7    8    8    8    9   12   14   16   18   19   20   20   20   21   22   22   24 
LCS_GDT     S   101_A     S   101_A      3    8   20      3    3    4    7    8    8    8    9   12   14   16   18   19   20   20   20   21   22   22   24 
LCS_GDT     T   102_A     T   102_A      3    8   20      3    3    4    6    8    8    8    9   12   14   16   18   19   20   20   20   21   22   22   24 
LCS_GDT     V   103_A     V   103_A      6    8   20      3    4    6    7    7    8    8    9   12   14   16   18   19   20   20   20   21   21   22   24 
LCS_GDT     S   104_A     S   104_A      6    8   20      3    4    6    7    7    8    8    9   12   14   16   18   19   20   20   20   21   22   22   24 
LCS_GDT     S   105_A     S   105_A      6    8   20      3    4    6    7    7    8    8    9   12   14   16   18   19   20   20   20   21   22   22   24 
LCS_GDT     I   106_A     I   106_A      6    8   25      3    4    6    7    7    8    8    9   12   14   16   18   19   20   20   20   21   22   25   26 
LCS_GDT     G   107_A     G   107_A      6    8   27      3    4    6    7    7    8    8    9   12   14   16   18   19   22   25   28   30   31   34   35 
LCS_GDT     N   108_A     N   108_A      6    8   27      3    4    6    7    7    8    8    9   12   14   16   21   23   25   26   28   30   31   34   35 
LCS_GDT     T   109_A     T   109_A      3    8   27      3    3    5    7    7    8   10   17   19   21   22   22   23   25   26   28   30   31   34   35 
LCS_GDT     N   110_A     N   110_A      4    8   27      3    3    4    5    9   12   15   17   19   21   22   22   23   25   26   28   30   31   34   35 
LCS_GDT     G   111_A     G   111_A      4    5   29      3    3    4    5    5    7    8    9   11   14   20   22   22   23   23   25   27   29   30   32 
LCS_GDT     E   112_A     E   112_A      4    5   30      3    3    4    5    5    6    7   10   15   21   22   22   23   27   30   30   30   31   34   35 
LCS_GDT     E   113_A     E   113_A      4    5   30      3    3    4    7   10   14   15   17   20   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     V   114_A     V   114_A      4   18   30      1    3    4    5    5   13   15   18   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     G   115_A     G   115_A     17   22   30      5   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     P   116_A     P   116_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     S   117_A     S   117_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     V   118_A     V   118_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     Y   119_A     Y   119_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     L   120_A     L   120_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     E   121_A     E   121_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     R   122_A     R   122_A     17   22   30      7   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     L   123_A     L   123_A     17   22   30      7   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     K   124_A     K   124_A     17   22   30      7   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     I   125_A     I   125_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     L   126_A     L   126_A     17   22   30      7   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     R   127_A     R   127_A     17   22   30      7   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     Q   128_A     Q   128_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     R   129_A     R   129_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     C   130_A     C   130_A     17   22   30      8   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     G   131_A     G   131_A     17   22   30      6   14   17   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     L   132_A     L   132_A      3   22   30      3    3    4   13   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     D   133_A     D   133_A      3   22   30      3    9   15   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     N   134_A     N   134_A      3   22   30      3    8   13   19   19   20   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     T   135_A     T   135_A      3   22   30      3    3    4    9   18   19   21   22   24   25   28   29   29   29   30   30   30   31   34   35 
LCS_GDT     K   136_A     K   136_A      3   22   30      3    3    3    3    5    7   12   22   24   25   28   29   29   29   30   30   30   31   33   35 
LCS_GDT     Q   137_A     Q   137_A      3    4   30      3    3    4    4    4    5    8    9   23   25   28   29   29   29   30   30   30   31   33   35 
LCS_GDT     D   138_A     D   138_A      3    4   30      3    3    4    4    4    6    8    8   16   25   28   29   29   29   30   30   30   31   33   35 
LCS_GDT     D   139_A     D   139_A      3    4   30      3    3    4    4    5    8   12   22   24   25   28   29   29   29   30   30   30   31   33   35 
LCS_GDT     R   140_A     R   140_A      3    4   30      3    3    4    4    5    5   16   22   24   25   28   29   29   29   30   30   30   31   32   33 
LCS_GDT     P   141_A     P   141_A      3    3   30      0    3    3    3    3    4    4   21   22   23   27   29   29   29   30   30   30   31   32   33 
LCS_AVERAGE  LCS_A:  29.00  (  12.98   30.32   43.69 )

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     21     31     41     53     58     64     67     69     71     74     77     78     80     80     81     81     81     81     81     82 
GDT PERCENT_AT  14.89  21.99  29.08  37.59  41.13  45.39  47.52  48.94  50.35  52.48  54.61  55.32  56.74  56.74  57.45  57.45  57.45  57.45  57.45  58.16
GDT RMS_LOCAL    0.36   0.56   1.07   1.30   1.48   1.68   1.85   1.92   2.06   2.36   2.65   2.71   2.92   2.92   3.11   3.11   3.11   3.11   3.11   3.38
GDT RMS_ALL_AT  35.79  35.67  36.82  36.45  36.44  36.61  36.61  36.65  36.60  36.53  36.39  36.38  36.35  36.35  36.25  36.25  36.25  36.25  36.25  36.33

# Checking swapping
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  D   133_A      D   133_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    13.314     0    0.205   0.248    15.888    0.000    0.000
LGA    S     2_A      S     2_A     8.652     0    0.376   0.410     9.846   11.190    8.730
LGA    R     3_A      R     3_A     8.982     0    0.600   1.053    20.127    3.929    1.429
LGA    I     4_A      I     4_A    10.633     0    0.048   0.105    15.530    0.238    0.119
LGA    D     5_A      D     5_A     9.672     0    0.098   0.964    10.180    2.024    1.607
LGA    E     6_A      E     6_A     7.726     0    0.037   0.097     8.976    9.286    6.138
LGA    K     7_A      K     7_A     7.162     0    0.012   0.059    11.016   12.976    7.037
LGA    S     8_A      S     8_A     6.467     0    0.050   0.642     7.110   19.524   16.905
LGA    S     9_A      S     9_A     5.455     0    0.014   0.748     6.521   29.524   25.476
LGA    K    10_A      K    10_A     4.018     0    0.113   0.999     9.464   40.476   25.344
LGA    A    11_A      A    11_A     3.967     0    0.024   0.029     4.322   43.452   42.190
LGA    K    12_A      K    12_A     3.617     0    0.046   0.065     6.294   50.238   37.831
LGA    V    13_A      V    13_A     1.950     0    0.041   0.800     2.624   71.071   69.524
LGA    N    14_A      N    14_A     1.980     0    0.020   1.108     4.313   72.857   62.500
LGA    D    15_A      D    15_A     2.257     0    0.023   0.976     3.654   68.810   60.357
LGA    F    16_A      F    16_A     1.843     0    0.062   1.184     4.853   77.143   59.913
LGA    L    17_A      L    17_A     0.914     0    0.029   0.088     1.248   83.690   83.690
LGA    A    18_A      A    18_A     1.377     0    0.046   0.044     1.565   81.429   79.714
LGA    E    19_A      E    19_A     0.938     0    0.006   0.855     3.336   88.214   78.413
LGA    I    20_A      I    20_A     0.814     0    0.014   0.048     1.009   88.214   89.345
LGA    F    21_A      F    21_A     1.187     0    0.049   0.121     1.694   79.286   82.294
LGA    K    22_A      K    22_A     1.635     0    0.010   0.808     6.234   75.000   54.868
LGA    K    23_A      K    23_A     1.362     0    0.032   0.590     1.908   79.286   78.571
LGA    I    24_A      I    24_A     1.163     0    0.010   0.041     1.305   81.429   84.821
LGA    G    25_A      G    25_A     1.541     0    0.203   0.203     2.522   71.071   71.071
LGA    S    26_A      S    26_A     2.055     0    0.188   0.255     2.822   70.833   67.540
LGA    K    27_A      K    27_A     2.303     0    0.055   0.887     5.981   64.762   52.910
LGA    E    28_A      E    28_A     2.199     0    0.075   0.105     2.706   68.810   64.021
LGA    N    29_A      N    29_A     1.280     0    0.010   1.103     2.468   79.286   80.655
LGA    T    30_A      T    30_A     1.774     0    0.014   0.707     3.716   72.857   65.238
LGA    K    31_A      K    31_A     2.061     0    0.011   0.675     4.802   70.833   61.270
LGA    E    32_A      E    32_A     1.305     0    0.023   0.254     1.999   79.286   79.524
LGA    G    33_A      G    33_A     0.954     0    0.061   0.061     1.073   88.214   88.214
LGA    L    34_A      L    34_A     0.905     0    0.016   0.083     1.970   88.214   82.679
LGA    A    35_A      A    35_A     0.909     0    0.010   0.013     1.046   90.476   88.667
LGA    E    36_A      E    36_A     0.963     0    0.016   0.157     1.796   90.476   84.497
LGA    L    37_A      L    37_A     0.404     0    0.007   0.105     0.605   97.619   98.810
LGA    Y    38_A      Y    38_A     0.526     0    0.037   0.109     1.688   92.857   86.786
LGA    E    39_A      E    39_A     1.060     0    0.008   0.870     2.998   83.690   74.180
LGA    Y    40_A      Y    40_A     0.923     0    0.062   0.120     1.190   88.214   89.722
LGA    K    41_A      K    41_A     0.918     0    0.038   0.819     2.075   85.952   79.735
LGA    K    42_A      K    42_A     1.306     0    0.025   0.632     4.110   77.143   72.698
LGA    K    43_A      K    43_A     1.897     0    0.090   0.618     3.143   66.905   62.381
LGA    Y    44_A      Y    44_A     2.854     0    0.205   0.222     4.302   57.262   49.167
LGA    S    45_A      S    45_A     2.795     0    0.328   0.592     3.493   53.571   54.762
LGA    D    46_A      D    46_A     5.972     0    0.547   1.214    11.099   31.786   16.250
LGA    A    47_A      A    47_A     4.595     0    0.539   0.576     5.746   40.833   36.952
LGA    D    48_A      D    48_A     1.637     0    0.626   1.157     7.635   81.548   50.595
LGA    I    49_A      I    49_A     0.855     0    0.183   1.347     2.517   81.548   75.417
LGA    E    50_A      E    50_A     1.348     0    0.054   1.041     2.649   81.429   77.831
LGA    P    51_A      P    51_A     1.638     0    0.098   0.111     1.693   72.857   72.857
LGA    F    52_A      F    52_A     1.566     0    0.077   1.630     5.660   75.000   64.589
LGA    L    53_A      L    53_A     1.335     0    0.060   0.480     2.473   81.429   79.405
LGA    K    54_A      K    54_A     1.029     0    0.036   1.010     5.967   79.286   61.481
LGA    N    55_A      N    55_A     2.906     0    0.259   0.244     3.634   57.262   51.964
LGA    S    56_A      S    56_A     2.983     0    0.082   0.653     3.101   53.571   58.810
LGA    S    57_A      S    57_A     3.326     0    0.026   0.717     5.273   51.786   47.222
LGA    Q    58_A      Q    58_A     3.662     0    0.076   1.561     9.187   45.000   28.360
LGA    F    59_A      F    59_A     3.284     0    0.076   1.249     3.497   53.571   59.784
LGA    F    60_A      F    60_A     1.604     0    0.137   0.214     2.147   75.119   81.602
LGA    Q    61_A      Q    61_A     1.265     0    0.051   0.948     4.472   81.429   67.143
LGA    S    62_A      S    62_A     1.660     0    0.031   0.041     2.052   72.857   71.508
LGA    Y    63_A      Y    63_A     1.303     0    0.029   1.345     8.244   81.429   55.794
LGA    V    64_A      V    64_A     0.461     0    0.032   1.040     2.276   92.857   85.646
LGA    E    65_A      E    65_A     1.322     0    0.027   0.854     5.050   83.690   63.704
LGA    R    66_A      R    66_A     1.666     0    0.034   1.146     2.996   79.286   76.104
LGA    G    67_A      G    67_A     1.006     0    0.108   0.108     1.120   85.952   85.952
LGA    L    68_A      L    68_A     0.255     0    0.029   0.066     0.529   97.619   97.619
LGA    R    69_A      R    69_A     0.857     0    0.017   1.510     7.273   90.476   60.303
LGA    V    70_A      V    70_A     0.551     0    0.069   1.119     3.338   95.238   84.898
LGA    I    71_A      I    71_A     0.573     0    0.019   0.655     2.263   90.595   87.381
LGA    E    72_A      E    72_A     1.380     0    0.011   0.798     4.778   81.548   65.291
LGA    M    73_A      M    73_A     1.056     0    0.020   1.117     4.414   81.429   71.012
LGA    E    74_A      E    74_A     1.355     0    0.062   0.846     3.385   75.119   66.243
LGA    R    75_A      R    75_A     1.541     0    0.037   1.008     3.119   72.976   73.333
LGA    E    76_A      E    76_A     2.246     0    0.185   0.955     4.878   61.190   54.603
LGA    G    77_A      G    77_A     2.841     0    0.027   0.027     3.218   57.262   57.262
LGA    K    78_A      K    78_A     2.646     0    0.299   0.666     3.885   53.690   52.487
LGA    G    79_A      G    79_A     3.258     0    0.657   0.657     6.104   41.905   41.905
LGA    R    80_A      R    80_A     2.758     0    0.598   1.240    13.336   57.262   29.351
LGA    I    81_A      I    81_A     6.471     0    0.619   0.606    10.820   15.476    9.405
LGA    S    82_A      S    82_A    11.218     0    0.047   0.638    14.408    0.357    0.238
LGA    T    83_A      T    83_A    16.271     0    0.205   0.944    20.505    0.000    0.000
LGA    S    84_A      S    84_A    20.770     0    0.440   0.804    22.174    0.000    0.000
LGA    T    85_A      T    85_A    26.298     0    0.505   0.940    30.412    0.000    0.000
LGA    G    86_A      G    86_A    28.504     0    0.034   0.034    32.029    0.000    0.000
LGA    I    87_A      I    87_A    29.333     0    0.423   0.730    31.019    0.000    0.000
LGA    S    88_A      S    88_A    31.824     0    0.467   0.479    33.787    0.000    0.000
LGA    P    89_A      P    89_A    29.342     0    0.304   0.451    32.317    0.000    0.000
LGA    Q    90_A      Q    90_A    34.985     0    0.465   1.158    36.212    0.000    0.000
LGA    M    91_A      M    91_A    39.096     0    0.472   0.794    41.677    0.000    0.000
LGA    E    92_A      E    92_A    44.208     0    0.442   0.888    48.124    0.000    0.000
LGA    V    93_A      V    93_A    49.524     0    0.057   1.115    53.825    0.000    0.000
LGA    T    94_A      T    94_A    52.635     0    0.525   0.523    54.494    0.000    0.000
LGA    C    95_A      C    95_A    57.884     0    0.606   0.863    62.290    0.000    0.000
LGA    V    96_A      V    96_A    58.472     0    0.070   1.146    61.572    0.000    0.000
LGA    P    97_A      P    97_A    58.486     0    0.337   0.483    61.302    0.000    0.000
LGA    T    98_A      T    98_A    60.909     0    0.105   0.204    61.395    0.000    0.000
LGA    P    99_A      P    99_A    62.332     0    0.685   0.595    64.988    0.000    0.000
LGA    T   100_A      T   100_A    61.679     0    0.537   0.540    62.530    0.000    0.000
LGA    S   101_A      S   101_A    63.224     0    0.603   0.803    64.343    0.000    0.000
LGA    T   102_A      T   102_A    62.729     0    0.592   0.917    63.836    0.000    0.000
LGA    V   103_A      V   103_A    66.659     0    0.601   0.588    69.564    0.000    0.000
LGA    S   104_A      S   104_A    71.050     0    0.143   0.564    72.916    0.000    0.000
LGA    S   105_A      S   105_A    72.721     0    0.679   0.612    76.351    0.000    0.000
LGA    I   106_A      I   106_A    74.572     0    0.342   1.010    76.150    0.000    0.000
LGA    G   107_A      G   107_A    76.754     0    0.271   0.271    77.739    0.000    0.000
LGA    N   108_A      N   108_A    78.626     0    0.198   1.197    83.578    0.000    0.000
LGA    T   109_A      T   109_A    78.802     0    0.694   0.613    82.256    0.000    0.000
LGA    N   110_A      N   110_A    81.325     0    0.322   0.316    84.680    0.000    0.000
LGA    G   111_A      G   111_A    78.470     0    0.056   0.056    79.448    0.000    0.000
LGA    E   112_A      E   112_A    75.953     0    0.376   0.892    77.013    0.000    0.000
LGA    E   113_A      E   113_A    75.142     0    0.586   1.163    79.027    0.000    0.000
LGA    V   114_A      V   114_A    71.762     0    0.593   1.327    72.471    0.000    0.000
LGA    G   115_A      G   115_A    66.089     0    0.596   0.596    68.207    0.000    0.000
LGA    P   116_A      P   116_A    62.064     0    0.050   0.316    65.312    0.000    0.000
LGA    S   117_A      S   117_A    63.990     0    0.048   0.050    67.521    0.000    0.000
LGA    V   118_A      V   118_A    61.992     0    0.034   0.855    63.133    0.000    0.000
LGA    Y   119_A      Y   119_A    57.036     0    0.049   1.394    59.159    0.000    0.000
LGA    L   120_A      L   120_A    56.517     0    0.021   0.050    59.116    0.000    0.000
LGA    E   121_A      E   121_A    58.177     0    0.027   0.904    66.292    0.000    0.000
LGA    R   122_A      R   122_A    54.514     0    0.009   1.259    63.007    0.000    0.000
LGA    L   123_A      L   123_A    49.345     0    0.000   1.421    51.536    0.000    0.000
LGA    K   124_A      K   124_A    50.984     0    0.039   0.578    53.737    0.000    0.000
LGA    I   125_A      I   125_A    51.287     0    0.015   0.035    57.300    0.000    0.000
LGA    L   126_A      L   126_A    45.794     0    0.045   0.070    48.004    0.000    0.000
LGA    R   127_A      R   127_A    43.324     0    0.032   1.198    46.435    0.000    0.000
LGA    Q   128_A      Q   128_A    45.858     0    0.080   1.149    52.307    0.000    0.000
LGA    R   129_A      R   129_A    43.207     0    0.055   1.157    47.502    0.000    0.000
LGA    C   130_A      C   130_A    38.559     0    0.155   0.164    40.456    0.000    0.000
LGA    G   131_A      G   131_A    39.749     0    0.668   0.668    39.918    0.000    0.000
LGA    L   132_A      L   132_A    41.529     0    0.623   0.541    43.183    0.000    0.000
LGA    D   133_A      D   133_A    46.966     0    0.489   1.153    52.405    0.000    0.000
LGA    N   134_A      N   134_A    46.857     0    0.505   1.164    48.180    0.000    0.000
LGA    T   135_A      T   135_A    52.323     0    0.620   1.366    55.530    0.000    0.000
LGA    K   136_A      K   136_A    53.902     0    0.682   0.861    53.902    0.000    0.000
LGA    Q   137_A      Q   137_A    53.650     0    0.640   0.480    54.352    0.000    0.000
LGA    D   138_A      D   138_A    55.520     0    0.530   0.852    58.017    0.000    0.000
LGA    D   139_A      D   139_A    58.953     0    0.380   0.935    60.334    0.000    0.000
LGA    R   140_A      R   140_A    59.651     0    0.337   0.957    66.431    0.000    0.000
LGA    P   141_A      P   141_A    58.910     0    0.611   0.600    62.287    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    22.611         22.588                 22.647           37.725   34.267

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     69    1.92    41.489    40.741     3.409

LGA_LOCAL      RMSD:   1.924  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  36.652  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  22.611  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.818863 * X  +  -0.554903 * Y  +   0.146784 * Z  +  13.045983
  Y_new =   0.346977 * X  +   0.274832 * Y  +  -0.896702 * Z  +  -8.247142
  Z_new =   0.457242 * X  +   0.785207 * Y  +   0.417589 * Z  + -28.353451 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.400795 -0.474891  1.082018   [DEG:   22.9639  -27.2093   61.9950 ]
ZXZ:  0.162254  1.140006  0.527318   [DEG:    9.2965   65.3175   30.2131 ]
 
# END of job
