
#######################################################
#                                                     #
#                        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:    90       3_A - 92_A        4.89    24.23
  LONGEST_CONTINUOUS_SEGMENT:    90       4_A - 93_A        4.92    23.99
  LCS_AVERAGE:     48.01

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      11_A - 77_A        1.97    24.26
  LONGEST_CONTINUOUS_SEGMENT:    67      12_A - 78_A        2.00    24.26
  LCS_AVERAGE:     28.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      10_A - 44_A        0.92    23.56
  LONGEST_CONTINUOUS_SEGMENT:    35      11_A - 45_A        0.95    23.53
  LCS_AVERAGE:     13.32

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    6   81      3    4    4    5    8    9   12   13   19   22   27   44   51   56   68   71   74   76   78   79 
LCS_GDT     S     2_A     S     2_A      4    6   81      3    4    4    5    8    9   12   18   23   26   39   45   54   69   70   73   75   77   79   81 
LCS_GDT     R     3_A     R     3_A      4   40   90      3    4    8   13   19   22   37   45   53   58   63   67   70   72   75   77   77   79   80   82 
LCS_GDT     I     4_A     I     4_A     15   43   90      4    8   12   16   22   29   44   50   56   61   68   70   73   76   82   82   83   84   84   88 
LCS_GDT     D     5_A     D     5_A     17   45   90      4   10   15   25   39   43   49   54   63   67   68   74   77   79   82   82   83   84   84   88 
LCS_GDT     E     6_A     E     6_A     19   46   90      5   15   25   37   41   48   55   60   66   69   76   79   80   80   82   82   83   84   85   88 
LCS_GDT     K     7_A     K     7_A     19   47   90      5   15   25   37   43   49   59   64   68   73   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S     8_A     S     8_A     31   47   90      5   16   33   40   48   55   62   67   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S     9_A     S     9_A     33   47   90      4   12   25   39   47   54   62   67   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    10_A     K    10_A     35   47   90      6   24   34   41   50   59   63   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     A    11_A     A    11_A     35   67   90      8   26   36   44   55   61   66   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    12_A     K    12_A     35   67   90      8   26   38   51   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     V    13_A     V    13_A     35   67   90      8   28   38   51   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     N    14_A     N    14_A     35   67   90      8   28   38   51   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     D    15_A     D    15_A     35   67   90      8   30   39   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     F    16_A     F    16_A     35   67   90      8   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     L    17_A     L    17_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     A    18_A     A    18_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    19_A     E    19_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     I    20_A     I    20_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     F    21_A     F    21_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    22_A     K    22_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    23_A     K    23_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     I    24_A     I    24_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     G    25_A     G    25_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S    26_A     S    26_A     35   67   90     15   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    27_A     K    27_A     35   67   90      9   28   39   51   57   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    28_A     E    28_A     35   67   90     15   30   41   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     N    29_A     N    29_A     35   67   90     15   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     T    30_A     T    30_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    31_A     K    31_A     35   67   90     14   30   41   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    32_A     E    32_A     35   67   90     14   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     G    33_A     G    33_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     L    34_A     L    34_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     A    35_A     A    35_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    36_A     E    36_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     L    37_A     L    37_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     Y    38_A     Y    38_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    39_A     E    39_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     Y    40_A     Y    40_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    41_A     K    41_A     35   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    42_A     K    42_A     35   67   90     14   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    43_A     K    43_A     35   67   90     12   28   39   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     Y    44_A     Y    44_A     35   67   90     12   25   37   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S    45_A     S    45_A     35   67   90      3   18   31   47   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     D    46_A     D    46_A      4   67   90      3    4    4    6   16   24   38   51   60   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     A    47_A     A    47_A      4   67   90      3    6   19   31   48   58   65   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     D    48_A     D    48_A     25   67   90      9   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     I    49_A     I    49_A     25   67   90     13   28   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    50_A     E    50_A     25   67   90     10   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     P    51_A     P    51_A     25   67   90     13   26   40   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     F    52_A     F    52_A     25   67   90     13   26   41   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     L    53_A     L    53_A     25   67   90     13   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    54_A     K    54_A     25   67   90     13   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     N    55_A     N    55_A     25   67   90      6   24   40   52   56   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S    56_A     S    56_A     25   67   90      7   19   37   52   56   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S    57_A     S    57_A     25   67   90      5   19   36   47   56   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     Q    58_A     Q    58_A     25   67   90      4   15   34   45   56   61   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     F    59_A     F    59_A     25   67   90      3   19   36   45   56   61   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     F    60_A     F    60_A     25   67   90      3   24   40   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     Q    61_A     Q    61_A     25   67   90     13   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S    62_A     S    62_A     25   67   90      8   25   40   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     Y    63_A     Y    63_A     25   67   90      8   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     V    64_A     V    64_A     25   67   90     13   28   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    65_A     E    65_A     25   67   90      8   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     R    66_A     R    66_A     25   67   90      8   24   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     G    67_A     G    67_A     25   67   90     10   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     L    68_A     L    68_A     25   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     R    69_A     R    69_A     25   67   90     10   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     V    70_A     V    70_A     25   67   90     16   30   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     I    71_A     I    71_A     25   67   90     13   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    72_A     E    72_A     25   67   90      6   25   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     M    73_A     M    73_A     21   67   90     12   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    74_A     E    74_A     21   67   90     12   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     R    75_A     R    75_A     21   67   90     12   26   42   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    76_A     E    76_A     19   67   90      5   17   36   52   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     G    77_A     G    77_A     19   67   90      5   17   30   45   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     K    78_A     K    78_A      4   67   90      4   10   21   38   54   59   61   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     G    79_A     G    79_A      4    5   90      3    5    8   10   13   21   25   29   54   60   66   70   74   78   80   81   83   84   85   88 
LCS_GDT     R    80_A     R    80_A      4    5   90      3    5    5    5    5   10   16   16   20   24   26   55   58   66   73   79   80   81   85   88 
LCS_GDT     I    81_A     I    81_A      4    5   90      3    4    4    4    7    9   12   15   16   17   26   50   61   69   73   79   80   82   85   88 
LCS_GDT     S    82_A     S    82_A      3    5   90      3    3    3    4    5    9   12   15   20   25   52   59   69   72   76   79   80   82   85   88 
LCS_GDT     T    83_A     T    83_A      3    5   90      3    3    4    4    5    8   10   10   16   18   30   55   58   64   67   71   80   80   81   82 
LCS_GDT     S    84_A     S    84_A      3    5   90      3    3    4    5    7    9   16   16   32   54   64   68   74   78   78   79   82   82   85   88 
LCS_GDT     T    85_A     T    85_A      5    8   90      3    4    5    7    7   10   16   16   20   24   72   77   80   80   80   81   83   84   85   88 
LCS_GDT     G    86_A     G    86_A      5    8   90      2    4    5    7    7    9   16   16   66   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     I    87_A     I    87_A      5    8   90      2    4    5    7    7    8   19   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     S    88_A     S    88_A      5    8   90      2    4    5   24   51   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     P    89_A     P    89_A      5    8   90      2    4    5   43   52   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     Q    90_A     Q    90_A      4    8   90      1   18   33   48   58   62   67   69   74   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     M    91_A     M    91_A      4    8   90      2    4    5    9   39   58   62   69   72   76   78   79   80   80   82   82   83   84   85   88 
LCS_GDT     E    92_A     E    92_A      4    8   90      4    4    4    5    7    8   18   59   65   70   72   75   78   79   82   82   83   84   84   88 
LCS_GDT     V    93_A     V    93_A      4    5   90      4    4    4    5    5    6    9   49   58   62   68   70   73   75   77   79   81   81   83   85 
LCS_GDT     T    94_A     T    94_A      4    5   14      4    4    4    5    5    6    9   11   13   19   26   42   52   68   71   74   75   78   79   81 
LCS_GDT     C    95_A     C    95_A      4    8   17      4    4    5    7    7    8   10   16   23   34   43   47   54   58   63   68   73   75   79   81 
LCS_GDT     V    96_A     V    96_A      4    8   17      3    3    5   10   17   22   27   28   34   40   43   47   51   58   61   68   73   75   79   81 
LCS_GDT     P    97_A     P    97_A      4    8   17      3    4    5    7   17   22   27   28   31   35   43   46   51   58   61   66   71   74   79   81 
LCS_GDT     T    98_A     T    98_A      4    8   17      3    3    5    8   10   16   19   22   30   32   39   42   46   51   56   60   68   71   75   79 
LCS_GDT     P    99_A     P    99_A      4    8   18      3    4    5    7    7   16   16   19   21   29   36   39   43   45   48   54   60   68   70   75 
LCS_GDT     T   100_A     T   100_A      4    8   18      3    3    5    9   14   16   16   19   23   29   36   39   43   45   48   54   60   64   65   75 
LCS_GDT     S   101_A     S   101_A      4    8   18      3    4    5    7    7    8   16   18   21   29   30   36   43   44   46   52   53   57   63   68 
LCS_GDT     T   102_A     T   102_A      3    9   18      2    4    6    9   14   16   27   28   31   35   39   42   44   51   58   62   68   73   76   80 
LCS_GDT     V   103_A     V   103_A      6    9   18      3    5    6    9   10   11   17   18   28   33   39   40   43   47   54   57   64   68   74   78 
LCS_GDT     S   104_A     S   104_A      6    9   18      3    5    6    9   10   11   17   17   20   29   39   40   43   47   52   54   64   68   74   78 
LCS_GDT     S   105_A     S   105_A      6    9   18      3    5    6    9   10   14   18   28   30   33   39   42   44   51   54   62   68   73   76   80 
LCS_GDT     I   106_A     I   106_A      6    9   18      3    5    6   10   17   22   27   28   31   35   39   45   49   54   61   66   70   73   77   81 
LCS_GDT     G   107_A     G   107_A      6    9   27      3    5    6   11   17   22   27   28   31   35   39   46   51   58   61   66   71   75   79   81 
LCS_GDT     N   108_A     N   108_A      6    9   27      3    5    6   11   17   22   27   28   31   39   43   47   54   58   63   68   73   75   79   81 
LCS_GDT     T   109_A     T   109_A      5    9   27      3    4    6    7    8   14   16   24   30   39   43   50   54   60   63   68   73   78   79   82 
LCS_GDT     N   110_A     N   110_A      5    9   27      3    4    6    7    9   14   15   21   30   35   43   50   54   60   65   70   73   78   79   82 
LCS_GDT     G   111_A     G   111_A      5    9   28      3    4    5    7    9   10   12   17   22   25   36   39   47   54   62   66   71   75   77   80 
LCS_GDT     E   112_A     E   112_A      3    8   28      3    3    5    7    9   10   11   12   13   16   20   24   28   31   35   38   44   47   60   75 
LCS_GDT     E   113_A     E   113_A      4    5   28      3    4    5    7    9   12   18   18   22   23   25   28   29   32   35   38   41   44   47   49 
LCS_GDT     V   114_A     V   114_A      4   23   28      3    4    6   10   12   15   22   23   24   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     G   115_A     G   115_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   34   38   40   41   47   48 
LCS_GDT     P   116_A     P   116_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   34   38   40   42   47   48 
LCS_GDT     S   117_A     S   117_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   43   47   48 
LCS_GDT     V   118_A     V   118_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     Y   119_A     Y   119_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   120_A     L   120_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     E   121_A     E   121_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     R   122_A     R   122_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   123_A     L   123_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     K   124_A     K   124_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     I   125_A     I   125_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   126_A     L   126_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     R   127_A     R   127_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     Q   128_A     Q   128_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     R   129_A     R   129_A     17   23   28      9   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   51 
LCS_GDT     C   130_A     C   130_A     17   23   28      8   16   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     G   131_A     G   131_A     17   23   28      6   15   18   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     L   132_A     L   132_A      7   23   28      3    3    7   16   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     D   133_A     D   133_A      7   23   28      3    5   16   19   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     N   134_A     N   134_A      7   23   28      3    5    9   18   20   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     T   135_A     T   135_A      7   23   28      3   11   18   19   19   22   22   23   26   27   28   28   29   32   34   38   41   44   47   48 
LCS_GDT     K   136_A     K   136_A      7   23   28      3    5    9   16   19   22   22   23   26   27   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     Q   137_A     Q   137_A      7   10   28      3    5    7    8   10   13   18   21   24   25   28   28   31   33   37   39   41   44   47   49 
LCS_GDT     D   138_A     D   138_A      7   10   28      3    5    7    8   10   11   12   12   13   15   17   20   23   26   34   38   41   44   47   48 
LCS_GDT     D   139_A     D   139_A      4   10   28      3    3    7    8   10   11   12   12   13   13   17   18   22   26   29   38   41   44   47   48 
LCS_GDT     R   140_A     R   140_A      3    4   28      3    3    3    3    6    8   10   12   12   13   14   16   17   21   27   32   36   44   46   48 
LCS_GDT     P   141_A     P   141_A      0    4   18      0    2    3    3    4    4    4    4    5    5   15   15   16   18   21   23   26   29   32   34 
LCS_AVERAGE  LCS_A:  30.10  (  13.32   28.97   48.01 )

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     16     30     42     52     58     62     67     69     74     76     78     79     80     80     82     82     83     84     85     88 
GDT PERCENT_AT  11.35  21.28  29.79  36.88  41.13  43.97  47.52  48.94  52.48  53.90  55.32  56.03  56.74  56.74  58.16  58.16  58.87  59.57  60.28  62.41
GDT RMS_LOCAL    0.32   0.59   1.00   1.21   1.50   1.60   1.83   1.96   2.41   2.54   2.75   2.89   3.02   3.02   3.38   3.38   3.48   3.67   4.02   4.44
GDT RMS_ALL_AT  23.88  23.79  24.47  24.41  24.15  24.19  24.33  24.29  24.31  24.18  24.25  24.23  24.24  24.24  24.11  24.11  24.09  24.05  24.29  24.13

# Checking swapping
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    19_A      E    19_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  Y    44_A      Y    44_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:  E    65_A      E    65_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  Y   119_A      Y   119_A
#   possible swapping detected:  D   138_A      D   138_A
#   possible swapping detected:  D   139_A      D   139_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    19.896     0    0.273   0.296    21.265    0.000    0.000
LGA    S     2_A      S     2_A    19.347     0    0.202   0.695    21.366    0.000    0.000
LGA    R     3_A      R     3_A    16.270     0    0.307   0.999    25.926    0.000    0.000
LGA    I     4_A      I     4_A    13.653     0    0.201   0.204    17.857    0.000    0.000
LGA    D     5_A      D     5_A    11.243     0    0.179   0.428    12.509    0.119    0.119
LGA    E     6_A      E     6_A     9.535     0    0.031   0.816    12.644    2.619    1.164
LGA    K     7_A      K     7_A     8.422     0    0.076   0.710     9.618    8.333    4.709
LGA    S     8_A      S     8_A     6.603     0    0.025   0.120     7.601   16.667   14.524
LGA    S     9_A      S     9_A     6.447     0    0.043   0.659     7.631   20.833   17.937
LGA    K    10_A      K    10_A     5.317     0    0.104   0.645     9.527   29.048   17.672
LGA    A    11_A      A    11_A     4.166     0    0.021   0.033     4.633   40.476   39.810
LGA    K    12_A      K    12_A     3.107     0    0.021   0.067     4.559   51.905   45.873
LGA    V    13_A      V    13_A     2.885     0    0.030   0.756     4.583   57.262   49.660
LGA    N    14_A      N    14_A     2.860     0    0.033   1.090     4.833   60.952   51.488
LGA    D    15_A      D    15_A     2.113     0    0.014   0.976     4.948   70.952   57.560
LGA    F    16_A      F    16_A     0.913     0    0.029   0.113     1.377   88.214   84.719
LGA    L    17_A      L    17_A     1.183     0    0.030   1.378     2.763   81.429   74.286
LGA    A    18_A      A    18_A     1.792     0    0.030   0.033     2.098   72.857   71.238
LGA    E    19_A      E    19_A     1.389     0    0.049   0.870     2.650   79.286   79.788
LGA    I    20_A      I    20_A     0.912     0    0.035   0.054     1.369   85.952   90.595
LGA    F    21_A      F    21_A     1.624     0    0.026   0.118     2.206   70.952   75.281
LGA    K    22_A      K    22_A     2.287     0    0.027   0.097     3.692   64.762   56.667
LGA    K    23_A      K    23_A     2.003     0    0.028   0.864     2.588   68.810   71.429
LGA    I    24_A      I    24_A     1.511     0    0.016   0.056     1.872   72.857   80.536
LGA    G    25_A      G    25_A     2.030     0    0.150   0.150     2.986   64.881   64.881
LGA    S    26_A      S    26_A     2.445     0    0.083   0.154     2.951   64.762   62.222
LGA    K    27_A      K    27_A     3.095     0    0.113   0.997     7.521   51.786   35.238
LGA    E    28_A      E    28_A     2.654     0    0.025   0.315     3.114   60.952   58.095
LGA    N    29_A      N    29_A     1.497     0    0.015   0.898     2.173   77.143   78.333
LGA    T    30_A      T    30_A     2.090     0    0.018   0.877     4.342   66.786   59.864
LGA    K    31_A      K    31_A     2.186     0    0.019   1.100     8.972   68.810   44.444
LGA    E    32_A      E    32_A     1.209     0    0.035   1.133     4.621   85.952   71.746
LGA    G    33_A      G    33_A     0.823     0    0.028   0.028     0.960   90.476   90.476
LGA    L    34_A      L    34_A     0.885     0    0.032   0.098     1.368   90.476   85.952
LGA    A    35_A      A    35_A     0.791     0    0.011   0.028     0.909   90.476   90.476
LGA    E    36_A      E    36_A     0.865     0    0.021   0.092     1.866   90.476   82.593
LGA    L    37_A      L    37_A     0.461     0    0.035   0.173     0.923   97.619   96.429
LGA    Y    38_A      Y    38_A     0.399     0    0.026   0.126     0.996   95.238   93.651
LGA    E    39_A      E    39_A     0.755     0    0.032   0.883     2.624   88.214   80.106
LGA    Y    40_A      Y    40_A     0.670     0    0.040   0.224     2.085   90.476   83.889
LGA    K    41_A      K    41_A     0.494     0    0.036   0.561     2.012   95.238   90.794
LGA    K    42_A      K    42_A     0.894     0    0.039   0.604     2.920   83.810   83.810
LGA    K    43_A      K    43_A     1.673     0    0.084   0.946     3.207   69.048   66.878
LGA    Y    44_A      Y    44_A     2.165     0    0.347   0.404     3.340   66.786   59.881
LGA    S    45_A      S    45_A     2.697     0    0.316   0.543     3.651   53.810   54.921
LGA    D    46_A      D    46_A     6.161     0    0.586   1.205    11.318   27.976   14.345
LGA    A    47_A      A    47_A     4.535     0    0.539   0.566     5.532   42.500   38.286
LGA    D    48_A      D    48_A     1.337     0    0.595   1.148     7.441   88.333   56.190
LGA    I    49_A      I    49_A     0.719     0    0.097   0.170     1.118   85.952   90.595
LGA    E    50_A      E    50_A     0.817     0    0.049   1.274     4.065   90.476   74.339
LGA    P    51_A      P    51_A     1.158     0    0.030   0.076     1.269   81.429   81.429
LGA    F    52_A      F    52_A     1.278     0    0.019   1.118     4.663   81.429   65.671
LGA    L    53_A      L    53_A     0.919     0    0.019   0.600     2.391   83.690   82.738
LGA    K    54_A      K    54_A     0.953     0    0.034   0.935     3.726   83.810   73.122
LGA    N    55_A      N    55_A     2.318     0    0.198   0.228     2.861   64.881   61.964
LGA    S    56_A      S    56_A     2.509     0    0.066   0.580     3.436   59.048   58.492
LGA    S    57_A      S    57_A     2.899     0    0.040   0.706     4.971   57.143   52.857
LGA    Q    58_A      Q    58_A     3.443     0    0.020   1.161     8.829   50.000   31.481
LGA    F    59_A      F    59_A     3.157     0    0.019   1.185     3.202   53.571   57.359
LGA    F    60_A      F    60_A     1.495     0    0.131   0.247     2.027   77.262   84.069
LGA    Q    61_A      Q    61_A     1.339     0    0.112   1.023     5.273   79.286   62.646
LGA    S    62_A      S    62_A     1.886     0    0.042   0.062     2.236   70.833   68.810
LGA    Y    63_A      Y    63_A     1.434     0    0.023   0.175     2.504   81.429   73.810
LGA    V    64_A      V    64_A     0.484     0    0.044   1.027     2.156   92.857   85.850
LGA    E    65_A      E    65_A     1.410     0    0.021   1.171     5.306   79.286   63.280
LGA    R    66_A      R    66_A     1.817     0    0.020   0.974     4.066   72.857   69.134
LGA    G    67_A      G    67_A     1.160     0    0.079   0.079     1.297   85.952   85.952
LGA    L    68_A      L    68_A     0.255     0    0.049   0.082     0.638   97.619   97.619
LGA    R    69_A      R    69_A     1.015     0    0.041   1.346     6.307   85.952   67.836
LGA    V    70_A      V    70_A     0.811     0    0.072   1.123     3.539   95.238   82.653
LGA    I    71_A      I    71_A     0.321     0    0.042   0.634     1.795   95.238   91.845
LGA    E    72_A      E    72_A     1.124     0    0.076   0.313     2.904   83.690   74.180
LGA    M    73_A      M    73_A     0.820     0    0.034   0.906     3.255   90.476   79.226
LGA    E    74_A      E    74_A     0.700     0    0.046   0.440     1.547   90.476   89.577
LGA    R    75_A      R    75_A     0.670     0    0.032   1.072     2.956   85.952   82.078
LGA    E    76_A      E    76_A     1.711     0    0.039   0.861     4.349   70.952   62.751
LGA    G    77_A      G    77_A     2.497     0    0.051   0.051     2.497   68.810   68.810
LGA    K    78_A      K    78_A     5.702     0    0.542   0.875    12.353   21.548   10.847
LGA    G    79_A      G    79_A    10.803     0    0.222   0.222    13.823    0.714    0.714
LGA    R    80_A      R    80_A    13.692     0    0.622   1.409    21.354    0.000    0.000
LGA    I    81_A      I    81_A    12.994     0    0.628   1.066    13.410    0.000    0.000
LGA    S    82_A      S    82_A    13.340     0    0.039   0.057    16.193    0.000    0.000
LGA    T    83_A      T    83_A    15.918     0    0.561   1.105    19.864    0.000    0.000
LGA    S    84_A      S    84_A    12.527     0    0.163   0.673    14.975    0.119    0.079
LGA    T    85_A      T    85_A     8.571     0    0.556   0.621     9.939    6.667    4.966
LGA    G    86_A      G    86_A     6.678     0    0.193   0.193     6.730   22.500   22.500
LGA    I    87_A      I    87_A     5.571     0    0.092   0.695     8.449   24.048   16.429
LGA    S    88_A      S    88_A     3.499     0    0.080   0.477     4.662   40.476   47.460
LGA    P    89_A      P    89_A     3.766     0    0.135   0.386     7.512   36.429   27.755
LGA    Q    90_A      Q    90_A     2.802     0    0.176   1.166     8.238   55.833   39.894
LGA    M    91_A      M    91_A     5.496     0    0.482   0.726     8.601   20.476   15.595
LGA    E    92_A      E    92_A     9.017     0    0.376   0.602    10.345    2.500    1.587
LGA    V    93_A      V    93_A    14.827     0    0.071   0.972    18.638    0.000    0.000
LGA    T    94_A      T    94_A    21.798     0    0.110   1.116    23.691    0.000    0.000
LGA    C    95_A      C    95_A    28.521     0    0.583   0.950    30.085    0.000    0.000
LGA    V    96_A      V    96_A    31.857     0    0.121   1.101    35.162    0.000    0.000
LGA    P    97_A      P    97_A    32.653     0    0.112   0.335    36.144    0.000    0.000
LGA    T    98_A      T    98_A    36.495     0    0.192   0.409    37.435    0.000    0.000
LGA    P    99_A      P    99_A    38.960     0    0.139   0.294    42.781    0.000    0.000
LGA    T   100_A      T   100_A    39.158     0    0.151   1.000    40.060    0.000    0.000
LGA    S   101_A      S   101_A    39.249     0    0.569   0.707    40.900    0.000    0.000
LGA    T   102_A      T   102_A    33.396     0    0.575   0.555    35.331    0.000    0.000
LGA    V   103_A      V   103_A    33.567     0    0.583   0.562    35.819    0.000    0.000
LGA    S   104_A      S   104_A    32.983     0    0.286   0.682    34.951    0.000    0.000
LGA    S   105_A      S   105_A    29.470     0    0.113   0.746    30.996    0.000    0.000
LGA    I   106_A      I   106_A    28.732     0    0.074   0.152    30.096    0.000    0.000
LGA    G   107_A      G   107_A    26.571     0    0.140   0.140    28.518    0.000    0.000
LGA    N   108_A      N   108_A    24.345     0    0.045   0.396    25.380    0.000    0.000
LGA    T   109_A      T   109_A    23.949     0    0.076   0.293    27.308    0.000    0.000
LGA    N   110_A      N   110_A    24.301     0    0.257   0.361    25.980    0.000    0.000
LGA    G   111_A      G   111_A    27.714     0    0.559   0.559    29.566    0.000    0.000
LGA    E   112_A      E   112_A    30.526     0    0.361   1.171    31.859    0.000    0.000
LGA    E   113_A      E   113_A    35.658     0    0.472   1.155    40.454    0.000    0.000
LGA    V   114_A      V   114_A    38.426     0    0.102   1.010    40.778    0.000    0.000
LGA    G   115_A      G   115_A    40.863     0    0.588   0.588    41.079    0.000    0.000
LGA    P   116_A      P   116_A    43.326     0    0.053   0.066    46.349    0.000    0.000
LGA    S   117_A      S   117_A    43.088     0    0.027   0.592    44.092    0.000    0.000
LGA    V   118_A      V   118_A    36.713     0    0.063   0.921    39.007    0.000    0.000
LGA    Y   119_A      Y   119_A    36.720     0    0.022   1.387    38.034    0.000    0.000
LGA    L   120_A      L   120_A    41.667     0    0.029   0.147    47.620    0.000    0.000
LGA    E   121_A      E   121_A    39.395     0    0.043   0.983    43.182    0.000    0.000
LGA    R   122_A      R   122_A    33.143     0    0.029   1.188    35.379    0.000    0.000
LGA    L   123_A      L   123_A    35.299     0    0.011   0.315    38.850    0.000    0.000
LGA    K   124_A      K   124_A    39.891     0    0.047   0.974    47.515    0.000    0.000
LGA    I   125_A      I   125_A    35.790     0    0.021   0.045    37.066    0.000    0.000
LGA    L   126_A      L   126_A    31.088     0    0.047   0.835    32.708    0.000    0.000
LGA    R   127_A      R   127_A    36.301     0    0.043   0.861    46.266    0.000    0.000
LGA    Q   128_A      Q   128_A    39.276     0    0.060   0.906    42.421    0.000    0.000
LGA    R   129_A      R   129_A    33.484     0    0.115   1.079    35.221    0.000    0.000
LGA    C   130_A      C   130_A    32.861     0    0.204   0.195    35.081    0.000    0.000
LGA    G   131_A      G   131_A    39.698     0    0.660   0.660    41.668    0.000    0.000
LGA    L   132_A      L   132_A    42.608     0    0.457   0.586    45.067    0.000    0.000
LGA    D   133_A      D   133_A    49.173     0    0.387   0.994    53.457    0.000    0.000
LGA    N   134_A      N   134_A    52.678     0    0.017   1.243    53.916    0.000    0.000
LGA    T   135_A      T   135_A    58.186     0    0.067   0.328    61.143    0.000    0.000
LGA    K   136_A      K   136_A    61.625     0    0.173   1.191    62.950    0.000    0.000
LGA    Q   137_A      Q   137_A    64.858     0    0.178   0.529    74.277    0.000    0.000
LGA    D   138_A      D   138_A    62.896     0    0.580   1.152    64.359    0.000    0.000
LGA    D   139_A      D   139_A    65.810     0    0.124   1.036    71.159    0.000    0.000
LGA    R   140_A      R   140_A    63.566     0    0.310   1.605    74.518    0.000    0.000
LGA    P   141_A      P   141_A    59.247     0    0.111   0.517    60.495    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):    14.136         13.945                 14.495           38.108   35.011

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     69    1.96    41.312    40.561     3.351

LGA_LOCAL      RMSD:   1.959  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.287  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  14.136  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.512897 * X  +  -0.260058 * Y  +  -0.818112 * Z  +  39.522038
  Y_new =   0.465021 * X  +   0.885241 * Y  +   0.010138 * Z  +  18.204393
  Z_new =   0.721590 * X  +  -0.385639 * Y  +   0.574970 * Z  + -23.783272 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.736480 -0.806096 -0.590798   [DEG:   42.1972  -46.1859  -33.8502 ]
ZXZ: -1.583188  0.958229  2.061607   [DEG:  -90.7100   54.9025  118.1214 ]
 
# END of job
