
#######################################################
#                                                     #
#                        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        4.86    35.37
  LCS_AVERAGE:     43.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      10_A - 80_A        2.00    36.15
  LCS_AVERAGE:     30.48

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_A - 43_A        0.95    35.32
  LONGEST_CONTINUOUS_SEGMENT:    34      11_A - 44_A        0.97    35.33
  LONGEST_CONTINUOUS_SEGMENT:    34      12_A - 45_A        1.00    35.35
  LCS_AVERAGE:     12.68

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      4    4   85      3    4    4    4    5    5    6   12   24   55   65   68   70   75   76   78   79   80   82   82 
LCS_GDT     S     2_A     S     2_A      4    4   85      3    4    4    4    6   13   23   31   49   60   67   71   74   78   79   80   81   81   82   82 
LCS_GDT     R     3_A     R     3_A      4    7   85      3    4   10   37   46   53   60   66   70   72   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     I     4_A     I     4_A      4    7   85      3   11   24   37   44   51   58   66   70   72   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     D     5_A     D     5_A      4    7   85      4   11   26   40   46   51   61   67   70   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E     6_A     E     6_A      4    7   85      4    4    5    6   17   24   41   53   57   67   71   73   76   77   78   80   81   81   82   82 
LCS_GDT     K     7_A     K     7_A      4   39   85      4    4    5    6    8    9   12   21   22   45   50   69   72   75   78   80   81   81   82   82 
LCS_GDT     S     8_A     S     8_A     16   47   85      4    5   17   40   46   53   62   67   70   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     S     9_A     S     9_A     16   66   85      3    8   23   40   47   62   64   67   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    10_A     K    10_A     34   71   85      8   20   37   45   57   62   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     A    11_A     A    11_A     34   71   85      8   17   37   45   57   62   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    12_A     K    12_A     34   71   85      8   13   32   45   57   62   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     V    13_A     V    13_A     34   71   85      9   28   44   55   59   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     N    14_A     N    14_A     34   71   85     17   30   46   55   59   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     D    15_A     D    15_A     34   71   85     10   29   46   55   59   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     F    16_A     F    16_A     34   71   85      8   28   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     L    17_A     L    17_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     A    18_A     A    18_A     34   71   85     21   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    19_A     E    19_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     I    20_A     I    20_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     F    21_A     F    21_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    22_A     K    22_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    23_A     K    23_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     I    24_A     I    24_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     G    25_A     G    25_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     S    26_A     S    26_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    27_A     K    27_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    28_A     E    28_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     N    29_A     N    29_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     T    30_A     T    30_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    31_A     K    31_A     34   71   85     18   34   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    32_A     E    32_A     34   71   85     18   34   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     G    33_A     G    33_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     L    34_A     L    34_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     A    35_A     A    35_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    36_A     E    36_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     L    37_A     L    37_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     Y    38_A     Y    38_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    39_A     E    39_A     34   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     Y    40_A     Y    40_A     34   71   85     21   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    41_A     K    41_A     34   71   85     18   32   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    42_A     K    42_A     34   71   85     18   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    43_A     K    43_A     34   71   85     18   32   47   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     Y    44_A     Y    44_A     34   71   85      4   24   35   53   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     S    45_A     S    45_A     34   71   85      4   20   35   50   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     D    46_A     D    46_A      4   71   85      3    4    4    8   17   24   39   55   67   71   75   77   77   78   79   80   81   81   82   82 
LCS_GDT     A    47_A     A    47_A      4   71   85      3    6   13   19   39   57   64   68   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     D    48_A     D    48_A     24   71   85     10   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     I    49_A     I    49_A     24   71   85     10   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    50_A     E    50_A     24   71   85     10   34   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     P    51_A     P    51_A     24   71   85     11   26   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     F    52_A     F    52_A     24   71   85     11   26   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     L    53_A     L    53_A     24   71   85     11   34   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    54_A     K    54_A     24   71   85     11   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     N    55_A     N    55_A     24   71   85      3   24   41   53   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     S    56_A     S    56_A     24   71   85      3   18   41   52   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     S    57_A     S    57_A     24   71   85      3   18   41   51   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     Q    58_A     Q    58_A     24   71   85      3   16   37   51   58   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     F    59_A     F    59_A     24   71   85      3   18   41   51   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     F    60_A     F    60_A     24   71   85      3   30   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     Q    61_A     Q    61_A     24   71   85     11   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     S    62_A     S    62_A     24   71   85      9   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     Y    63_A     Y    63_A     24   71   85      8   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     V    64_A     V    64_A     24   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    65_A     E    65_A     24   71   85      9   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     R    66_A     R    66_A     24   71   85      8   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     G    67_A     G    67_A     24   71   85     10   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     L    68_A     L    68_A     24   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     R    69_A     R    69_A     24   71   85     10   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     V    70_A     V    70_A     24   71   85     23   35   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     I    71_A     I    71_A     24   71   85     11   34   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    72_A     E    72_A     19   71   85      7   23   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     M    73_A     M    73_A     19   71   85     10   30   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    74_A     E    74_A     19   71   85      7   25   49   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     R    75_A     R    75_A     19   71   85      6   24   45   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     E    76_A     E    76_A     19   71   85      6   17   41   54   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     G    77_A     G    77_A     19   71   85      7   17   35   52   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     K    78_A     K    78_A     19   71   85     10   23   35   55   60   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     G    79_A     G    79_A     14   71   85      4    5    6   21   58   65   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     R    80_A     R    80_A      6   71   85      4    5    6   20   33   63   66   69   71   73   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     I    81_A     I    81_A      3   69   85      3    3    4    6    6   35   54   64   70   72   76   77   77   78   79   80   81   81   82   82 
LCS_GDT     S    82_A     S    82_A      3    6   85      3    3    3    6    6    7   10   14   30   46   61   70   74   76   79   80   81   81   82   82 
LCS_GDT     T    83_A     T    83_A      3    6   85      3    3    3    4    6    7    9   11   13   15   16   17   18   21   26   32   56   67   75   78 
LCS_GDT     S    84_A     S    84_A      4    6   85      3    4    4    6    6    6    8    9   10   13   13   16   18   22   34   44   51   62   68   76 
LCS_GDT     T    85_A     T    85_A      4    6   85      0    4    4    5    6    7    9   11   13   15   16   17   18   19   23   31   38   47   57   63 
LCS_GDT     G    86_A     G    86_A      4    6   20      1    4    4    6    6    7    9   11   13   15   16   17   18   19   21   22   24   26   26   27 
LCS_GDT     I    87_A     I    87_A      4    6   20      3    4    5    6    6    7    9   11   13   15   16   17   18   19   21   22   24   26   26   27 
LCS_GDT     S    88_A     S    88_A      4    6   20      3    4    5    6    6    7    9   11   13   15   16   17   18   19   20   22   24   26   26   27 
LCS_GDT     P    89_A     P    89_A      4    6   20      3    4    5    6    6    7    9   11   13   15   16   17   18   19   20   22   24   26   26   27 
LCS_GDT     Q    90_A     Q    90_A      4    5   20      3    4    5    5    6    7    8   11   13   15   16   17   18   19   21   22   24   26   26   27 
LCS_GDT     M    91_A     M    91_A      3    4   20      3    3    3    4    4    6    6    6    7   10   10   12   17   19   20   22   24   26   26   27 
LCS_GDT     E    92_A     E    92_A      3    4   20      3    3    3    4    6    7    8   11   13   15   16   17   18   19   20   22   24   26   26   27 
LCS_GDT     V    93_A     V    93_A      3    4   20      1    3    5    5    6    7    8   11   13   15   16   17   18   19   21   22   24   26   26   27 
LCS_GDT     T    94_A     T    94_A      3    9   20      3    3    4    4    7    8    9   11   13   15   16   17   19   19   21   22   24   26   26   27 
LCS_GDT     C    95_A     C    95_A      8    9   20      3    7    8    8    8    8    9   11   13   15   16   17   19   19   21   22   24   26   26   27 
LCS_GDT     V    96_A     V    96_A      8    9   20      3    7    8    8    8    8    9   10   12   15   16   17   19   19   21   22   24   26   26   27 
LCS_GDT     P    97_A     P    97_A      8    9   20      3    7    8    8    8    8    9   10   13   15   16   17   19   19   21   22   24   26   26   27 
LCS_GDT     T    98_A     T    98_A      8    9   20      3    7    8    8    8    8    9   10   13   15   16   17   19   19   21   22   24   26   26   27 
LCS_GDT     P    99_A     P    99_A      8    9   20      3    7    8    8    8    8    9   10   13   15   16   17   19   19   19   21   21   22   23   25 
LCS_GDT     T   100_A     T   100_A      8    9   20      3    7    8    8    8    8    9   10   13   15   16   17   19   19   19   21   21   23   24   25 
LCS_GDT     S   101_A     S   101_A      8    9   20      3    7    8    8    8    8    9   10   13   15   16   17   19   19   19   21   21   22   24   29 
LCS_GDT     T   102_A     T   102_A      8    9   20      0    5    8    8    8    8    9   10   13   15   16   17   19   19   19   21   21   22   23   23 
LCS_GDT     V   103_A     V   103_A      6    8   20      3    5    6    7    8    8    8    9   13   15   16   17   19   19   19   21   21   22   23   23 
LCS_GDT     S   104_A     S   104_A      6    8   20      3    5    6    7    8    8    8    9   10   13   15   17   19   19   19   21   21   22   23   23 
LCS_GDT     S   105_A     S   105_A      6    8   20      3    5    6    7    8    8    8    9   10   13   15   17   19   19   19   21   22   24   26   28 
LCS_GDT     I   106_A     I   106_A      6    8   26      3    5    6    7    8    8    8    9   13   15   16   17   19   19   19   21   21   23   27   32 
LCS_GDT     G   107_A     G   107_A      6    8   27      3    5    6    7    8    8    8    9   13   15   16   17   24   25   28   29   31   32   34   35 
LCS_GDT     N   108_A     N   108_A      6    8   27      3    5    6    7    8    8    8   10   13   15   22   23   24   26   28   30   31   32   34   35 
LCS_GDT     T   109_A     T   109_A      4    8   27      3    3    5    7    8    8   14   18   21   21   22   23   24   25   27   29   31   32   34   35 
LCS_GDT     N   110_A     N   110_A      4    8   30      3    4    4    7    9   12   15   18   21   21   22   23   24   25   27   29   31   32   34   35 
LCS_GDT     G   111_A     G   111_A      4    6   31      3    4    5    6    6    8    9   10   13   15   19   21   22   23   24   25   29   31   33   34 
LCS_GDT     E   112_A     E   112_A      4    6   31      3    4    4    4    5    6    8    9   10   13   19   22   22   28   30   30   31   32   34   35 
LCS_GDT     E   113_A     E   113_A      4    6   31      3    4    5    8   13   15   17   22   24   25   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     V   114_A     V   114_A      3   20   31      1    3    4    4    8   12   16   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     G   115_A     G   115_A     17   22   31      5   13   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     P   116_A     P   116_A     17   22   31      5   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     S   117_A     S   117_A     17   22   31      5   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     V   118_A     V   118_A     17   22   31      7   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     Y   119_A     Y   119_A     17   22   31      7   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     L   120_A     L   120_A     17   22   31      7   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     E   121_A     E   121_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     R   122_A     R   122_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     L   123_A     L   123_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     K   124_A     K   124_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     I   125_A     I   125_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     L   126_A     L   126_A     17   22   31      7   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     R   127_A     R   127_A     17   22   31      7   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     Q   128_A     Q   128_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     R   129_A     R   129_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   33   35 
LCS_GDT     C   130_A     C   130_A     17   22   31      8   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   33   35 
LCS_GDT     G   131_A     G   131_A     17   22   31      7   15   17   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     L   132_A     L   132_A      4   22   31      3    4    4   10   18   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     D   133_A     D   133_A      4   22   31      3    4   14   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     N   134_A     N   134_A      4   22   31      3    4   16   18   19   20   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     T   135_A     T   135_A      4   22   31      3    4    4    7   19   19   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     K   136_A     K   136_A      4   22   31      3    3    4    7    9   18   21   23   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     Q   137_A     Q   137_A      4    6   31      3    4    4    7    9   12   19   22   26   26   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     D   138_A     D   138_A      4    6   31      3    4    4    5    8    9   10   17   21   25   26   27   29   29   30   30   31   32   34   35 
LCS_GDT     D   139_A     D   139_A      4    6   31      3    4    4    4    5    5    6   11   14   21   27   28   29   29   30   30   31   32   34   35 
LCS_GDT     R   140_A     R   140_A      4    6   31      3    4    4    4    5    7    7   19   26   26   27   28   29   29   30   30   31   32   33   34 
LCS_GDT     P   141_A     P   141_A      3    5   31      3    3    3   16   18   18   21   22   26   26   27   28   29   29   30   30   31   32   33   34 
LCS_AVERAGE  LCS_A:  29.01  (  12.68   30.48   43.88 )

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     23     35     49     55     60     65     66     69     71     73     76     77     77     78     79     80     81     81     82     82 
GDT PERCENT_AT  16.31  24.82  34.75  39.01  42.55  46.10  46.81  48.94  50.35  51.77  53.90  54.61  54.61  55.32  56.03  56.74  57.45  57.45  58.16  58.16
GDT RMS_LOCAL    0.36   0.62   0.96   1.15   1.40   1.53   1.57   1.79   1.97   2.23   2.53   2.60   2.60   2.76   2.99   3.12   3.31   3.31   3.52   3.52
GDT RMS_ALL_AT  35.77  36.02  36.14  36.14  36.17  36.22  36.24  36.24  36.15  36.07  35.89  35.87  35.87  35.91  35.82  35.81  35.72  35.72  35.82  35.82

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    12.104     0    0.199   0.240    14.269    0.000    0.000
LGA    S     2_A      S     2_A    10.023     0    0.050   0.698    10.248    2.500    1.667
LGA    R     3_A      R     3_A     8.670     0    0.626   0.988    19.684    8.214    2.987
LGA    I     4_A      I     4_A     9.453     0    0.051   0.677    12.612    3.214    1.607
LGA    D     5_A      D     5_A     8.420     0    0.408   1.242     9.201    6.071    9.762
LGA    E     6_A      E     6_A    11.377     0    0.068   0.857    19.285    0.000    0.000
LGA    K     7_A      K     7_A    12.769     0    0.520   0.420    24.316    0.000    0.000
LGA    S     8_A      S     8_A     6.682     0    0.121   0.150     8.458   14.167   19.921
LGA    S     9_A      S     9_A     5.833     0    0.031   0.734     7.199   26.786   21.746
LGA    K    10_A      K    10_A     4.197     0    0.111   0.971     9.451   38.810   24.603
LGA    A    11_A      A    11_A     4.155     0    0.049   0.057     4.622   41.905   39.810
LGA    K    12_A      K    12_A     3.775     0    0.024   0.084     7.042   48.452   33.968
LGA    V    13_A      V    13_A     1.965     0    0.057   0.884     2.642   73.214   70.748
LGA    N    14_A      N    14_A     1.809     0    0.037   1.107     4.376   75.000   63.571
LGA    D    15_A      D    15_A     1.845     0    0.016   0.975     3.549   77.143   66.369
LGA    F    16_A      F    16_A     1.374     0    0.041   0.168     2.824   83.810   70.346
LGA    L    17_A      L    17_A     0.654     0    0.020   0.064     1.109   88.214   88.214
LGA    A    18_A      A    18_A     1.118     0    0.037   0.038     1.231   83.690   83.238
LGA    E    19_A      E    19_A     0.784     0    0.013   0.859     3.775   88.214   77.937
LGA    I    20_A      I    20_A     1.057     0    0.021   0.699     2.111   83.690   80.476
LGA    F    21_A      F    21_A     1.177     0    0.040   0.168     1.581   79.286   85.584
LGA    K    22_A      K    22_A     1.344     0    0.008   0.814     5.698   81.429   60.370
LGA    K    23_A      K    23_A     1.248     0    0.034   0.610     1.776   81.429   80.476
LGA    I    24_A      I    24_A     0.891     0    0.012   0.035     1.061   88.214   89.345
LGA    G    25_A      G    25_A     1.039     0    0.209   0.209     1.851   79.286   79.286
LGA    S    26_A      S    26_A     1.509     0    0.177   0.240     2.382   77.143   74.365
LGA    K    27_A      K    27_A     1.616     0    0.069   0.856     4.495   72.857   66.349
LGA    E    28_A      E    28_A     1.501     0    0.083   0.114     1.710   77.143   74.762
LGA    N    29_A      N    29_A     0.871     0    0.010   1.103     2.318   85.952   82.976
LGA    T    30_A      T    30_A     1.304     0    0.021   0.728     3.143   81.429   74.558
LGA    K    31_A      K    31_A     1.438     0    0.037   0.152     1.643   81.429   77.619
LGA    E    32_A      E    32_A     0.903     0    0.032   0.212     1.801   88.214   86.508
LGA    G    33_A      G    33_A     0.797     0    0.071   0.071     0.823   90.476   90.476
LGA    L    34_A      L    34_A     0.800     0    0.012   0.059     1.100   90.476   88.214
LGA    A    35_A      A    35_A     0.684     0    0.012   0.012     0.749   90.476   90.476
LGA    E    36_A      E    36_A     0.695     0    0.011   0.177     1.691   90.476   86.508
LGA    L    37_A      L    37_A     0.363     0    0.009   0.104     0.526   97.619   98.810
LGA    Y    38_A      Y    38_A     0.452     0    0.036   0.094     1.140   95.238   92.103
LGA    E    39_A      E    39_A     0.718     0    0.008   0.874     2.796   90.476   78.201
LGA    Y    40_A      Y    40_A     0.720     0    0.050   0.208     1.670   88.214   85.238
LGA    K    41_A      K    41_A     0.913     0    0.041   0.889     3.502   88.214   76.561
LGA    K    42_A      K    42_A     0.850     0    0.040   0.640     3.246   85.952   81.958
LGA    K    43_A      K    43_A     1.604     0    0.030   0.613     3.175   70.952   64.180
LGA    Y    44_A      Y    44_A     2.775     0    0.285   0.275     4.349   57.262   49.167
LGA    S    45_A      S    45_A     3.044     0    0.319   0.588     3.881   50.119   51.270
LGA    D    46_A      D    46_A     6.306     0    0.560   1.212    11.310   27.976   14.345
LGA    A    47_A      A    47_A     5.018     0    0.549   0.583     6.048   38.214   34.000
LGA    D    48_A      D    48_A     1.198     0    0.626   1.156     7.213   83.810   53.393
LGA    I    49_A      I    49_A     0.711     0    0.105   0.615     2.199   85.952   85.000
LGA    E    50_A      E    50_A     1.203     0    0.040   1.046     2.615   83.690   78.783
LGA    P    51_A      P    51_A     1.434     0    0.090   0.102     1.434   81.429   81.429
LGA    F    52_A      F    52_A     1.325     0    0.041   1.573     5.839   81.429   66.104
LGA    L    53_A      L    53_A     1.146     0    0.075   0.463     2.481   81.429   78.274
LGA    K    54_A      K    54_A     0.866     0    0.064   0.147     1.543   85.952   84.497
LGA    N    55_A      N    55_A     2.582     0    0.249   0.233     3.235   61.071   56.429
LGA    S    56_A      S    56_A     2.751     0    0.070   0.652     2.859   57.143   62.460
LGA    S    57_A      S    57_A     3.044     0    0.027   0.723     5.030   55.357   49.603
LGA    Q    58_A      Q    58_A     3.284     0    0.038   0.941     6.737   51.786   37.725
LGA    F    59_A      F    59_A     2.937     0    0.054   0.081     4.422   59.167   49.827
LGA    F    60_A      F    60_A     1.321     0    0.111   0.193     1.837   79.286   84.762
LGA    Q    61_A      Q    61_A     0.893     0    0.062   0.972     5.013   90.476   69.524
LGA    S    62_A      S    62_A     1.289     0    0.024   0.030     1.600   81.429   80.000
LGA    Y    63_A      Y    63_A     0.986     0    0.071   0.261     2.459   90.476   80.317
LGA    V    64_A      V    64_A     0.323     0    0.021   1.051     2.329   97.619   89.728
LGA    E    65_A      E    65_A     1.045     0    0.023   0.848     4.765   83.690   66.772
LGA    R    66_A      R    66_A     1.424     0    0.026   1.116     3.127   81.429   75.498
LGA    G    67_A      G    67_A     0.978     0    0.103   0.103     0.978   90.476   90.476
LGA    L    68_A      L    68_A     0.202     0    0.027   0.058     0.506   97.619   98.810
LGA    R    69_A      R    69_A     1.033     0    0.028   1.508     7.141   85.952   58.658
LGA    V    70_A      V    70_A     0.946     0    0.086   1.102     3.704   95.238   83.878
LGA    I    71_A      I    71_A     0.576     0    0.031   0.642     2.451   90.595   86.190
LGA    E    72_A      E    72_A     1.518     0    0.008   0.771     4.859   75.000   61.640
LGA    M    73_A      M    73_A     0.994     0    0.024   1.101     4.033   83.690   74.048
LGA    E    74_A      E    74_A     1.289     0    0.065   0.847     3.561   75.119   63.915
LGA    R    75_A      R    75_A     1.816     0    0.037   1.001     3.482   68.810   67.273
LGA    E    76_A      E    76_A     2.342     0    0.196   0.939     5.129   59.167   52.381
LGA    G    77_A      G    77_A     2.775     0    0.131   0.131     3.491   57.262   57.262
LGA    K    78_A      K    78_A     2.354     0    0.484   0.740     4.651   54.524   56.032
LGA    G    79_A      G    79_A     3.002     0    0.638   0.638     5.976   44.881   44.881
LGA    R    80_A      R    80_A     3.530     0    0.605   1.241    14.384   50.119   24.156
LGA    I    81_A      I    81_A     6.399     0    0.606   0.589    10.519   13.690    9.345
LGA    S    82_A      S    82_A    11.662     0    0.026   0.657    14.716    0.357    0.238
LGA    T    83_A      T    83_A    17.033     0    0.202   0.962    21.053    0.000    0.000
LGA    S    84_A      S    84_A    20.919     0    0.688   0.580    21.623    0.000    0.000
LGA    T    85_A      T    85_A    23.474     0    0.553   0.897    25.615    0.000    0.000
LGA    G    86_A      G    86_A    27.926     0    0.500   0.500    31.555    0.000    0.000
LGA    I    87_A      I    87_A    29.545     0    0.653   1.377    32.650    0.000    0.000
LGA    S    88_A      S    88_A    29.863     0    0.067   0.691    33.187    0.000    0.000
LGA    P    89_A      P    89_A    33.558     0    0.652   0.645    37.126    0.000    0.000
LGA    Q    90_A      Q    90_A    36.942     0    0.672   1.101    37.839    0.000    0.000
LGA    M    91_A      M    91_A    39.095     0    0.248   0.955    41.733    0.000    0.000
LGA    E    92_A      E    92_A    45.420     0    0.335   1.052    52.102    0.000    0.000
LGA    V    93_A      V    93_A    47.493     0    0.669   1.348    50.000    0.000    0.000
LGA    T    94_A      T    94_A    49.111     0    0.667   0.581    51.049    0.000    0.000
LGA    C    95_A      C    95_A    54.666     0    0.225   0.254    56.348    0.000    0.000
LGA    V    96_A      V    96_A    54.417     0    0.063   1.126    56.835    0.000    0.000
LGA    P    97_A      P    97_A    54.093     0    0.059   0.299    55.219    0.000    0.000
LGA    T    98_A      T    98_A    56.128     0    0.099   0.222    56.485    0.000    0.000
LGA    P    99_A      P    99_A    57.658     0    0.368   0.374    59.729    0.000    0.000
LGA    T   100_A      T   100_A    57.302     0    0.162   1.140    58.216    0.000    0.000
LGA    S   101_A      S   101_A    59.425     0    0.595   0.792    60.709    0.000    0.000
LGA    T   102_A      T   102_A    58.935     0    0.597   0.920    60.017    0.000    0.000
LGA    V   103_A      V   103_A    62.667     0    0.604   0.604    64.847    0.000    0.000
LGA    S   104_A      S   104_A    67.919     0    0.085   0.568    70.256    0.000    0.000
LGA    S   105_A      S   105_A    70.063     0    0.061   0.700    72.106    0.000    0.000
LGA    I   106_A      I   106_A    72.693     0    0.037   0.054    73.535    0.000    0.000
LGA    G   107_A      G   107_A    75.485     0    0.307   0.307    76.399    0.000    0.000
LGA    N   108_A      N   108_A    77.408     0    0.156   0.749    80.185    0.000    0.000
LGA    T   109_A      T   109_A    78.117     0    0.650   1.079    81.901    0.000    0.000
LGA    N   110_A      N   110_A    80.914     0    0.270   0.291    83.747    0.000    0.000
LGA    G   111_A      G   111_A    79.152     0    0.566   0.566    79.739    0.000    0.000
LGA    E   112_A      E   112_A    76.372     0    0.551   1.025    77.772    0.000    0.000
LGA    E   113_A      E   113_A    74.710     0    0.578   1.166    76.546    0.000    0.000
LGA    V   114_A      V   114_A    71.262     0    0.563   1.287    72.309    0.000    0.000
LGA    G   115_A      G   115_A    64.881     0    0.575   0.575    67.358    0.000    0.000
LGA    P   116_A      P   116_A    61.147     0    0.054   0.329    64.123    0.000    0.000
LGA    S   117_A      S   117_A    62.532     0    0.045   0.046    65.467    0.000    0.000
LGA    V   118_A      V   118_A    60.954     0    0.030   0.857    61.801    0.000    0.000
LGA    Y   119_A      Y   119_A    56.880     0    0.027   0.127    58.638    0.000    0.000
LGA    L   120_A      L   120_A    56.284     0    0.018   0.046    58.395    0.000    0.000
LGA    E   121_A      E   121_A    57.503     0    0.028   0.819    61.153    0.000    0.000
LGA    R   122_A      R   122_A    54.348     0    0.014   1.252    62.551    0.000    0.000
LGA    L   123_A      L   123_A    49.855     0    0.034   0.123    51.792    0.000    0.000
LGA    K   124_A      K   124_A    51.001     0    0.023   1.304    55.853    0.000    0.000
LGA    I   125_A      I   125_A    51.245     0    0.011   0.031    56.606    0.000    0.000
LGA    L   126_A      L   126_A    46.366     0    0.034   0.063    48.347    0.000    0.000
LGA    R   127_A      R   127_A    44.322     0    0.032   1.140    46.956    0.000    0.000
LGA    Q   128_A      Q   128_A    46.613     0    0.072   1.192    52.115    0.000    0.000
LGA    R   129_A      R   129_A    44.153     0    0.054   1.165    47.554    0.000    0.000
LGA    C   130_A      C   130_A    40.192     0    0.163   0.169    41.802    0.000    0.000
LGA    G   131_A      G   131_A    41.501     0    0.679   0.679    41.571    0.000    0.000
LGA    L   132_A      L   132_A    43.288     0    0.660   0.559    44.951    0.000    0.000
LGA    D   133_A      D   133_A    48.539     0    0.376   0.311    53.154    0.000    0.000
LGA    N   134_A      N   134_A    48.046     0    0.335   1.158    48.724    0.000    0.000
LGA    T   135_A      T   135_A    52.192     0    0.636   0.533    55.817    0.000    0.000
LGA    K   136_A      K   136_A    56.289     0    0.108   0.925    56.534    0.000    0.000
LGA    Q   137_A      Q   137_A    59.227     0    0.648   1.047    61.270    0.000    0.000
LGA    D   138_A      D   138_A    61.223     0    0.061   0.116    63.212    0.000    0.000
LGA    D   139_A      D   139_A    61.324     0    0.502   0.422    63.898    0.000    0.000
LGA    R   140_A      R   140_A    59.278     0    0.021   1.202    62.396    0.000    0.000
LGA    P   141_A      P   141_A    57.821     0    0.678   0.660    58.399    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):    22.531         22.475                 22.637           38.895   35.674

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     69    1.79    42.376    41.397     3.651

LGA_LOCAL      RMSD:   1.790  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  36.241  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  22.531  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.060963 * X  +  -0.452823 * Y  +   0.889514 * Z  +  17.979723
  Y_new =   0.713072 * X  +  -0.603827 * Y  +  -0.356260 * Z  +  -4.639955
  Z_new =   0.698435 * X  +   0.656006 * Y  +   0.286084 * Z  + -30.727844 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.485510 -0.773209  1.159562   [DEG:   85.1134  -44.3016   66.4380 ]
ZXZ:  1.189850  1.280659  0.816714   [DEG:   68.1734   73.3763   46.7943 ]
 
# END of job
