
#######################################################
#                                                     #
#                        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  158 ( 1264),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1131),  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:    53      16_A - 73_A        4.97    26.49
  LCS_AVERAGE:     30.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      79_A - 103_A       1.99    16.98
  LONGEST_CONTINUOUS_SEGMENT:    25      80_A - 104_A       1.91    17.06
  LONGEST_CONTINUOUS_SEGMENT:    25      81_A - 105_A       1.97    16.92
  LONGEST_CONTINUOUS_SEGMENT:    25      83_A - 107_A       1.94    16.65
  LCS_AVERAGE:     13.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      52_A - 69_A        0.98    25.04
  LONGEST_CONTINUOUS_SEGMENT:    18      53_A - 70_A        0.88    25.31
  LONGEST_CONTINUOUS_SEGMENT:    18      54_A - 71_A        0.97    25.52
  LONGEST_CONTINUOUS_SEGMENT:    18      90_A - 107_A       0.84    15.76
  LCS_AVERAGE:     10.54

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     9_A     A     9_A     15   18   35      5    9   14   17   20   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     V    10_A     V    10_A     15   18   35      5    9   14   17   20   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     E    11_A     E    11_A     15   18   35      5    7   14   17   20   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     D    12_A     D    12_A     15   18   35      5   10   14   17   19   25   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     F    13_A     F    13_A     15   18   35      5   10   14   17   19   20   23   32   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     H    14_A     H    14_A     15   18   35      4   10   14   17   19   25   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     K    15_A     K    15_A     15   18   35      6   10   14   17   19   20   22   28   36   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     Y    16_A     Y    16_A     15   18   53      6   10   14   17   19   20   22   25   27   27   29   32   46   50   52   54   56   58   60   64 
LCS_GDT     H    17_A     H    17_A     15   18   53      6   10   14   17   19   20   22   25   34   39   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     T    18_A     T    18_A     15   18   53      6   10   14   17   19   20   22   25   27   27   33   43   46   50   52   54   56   58   60   64 
LCS_GDT     A    19_A     A    19_A     15   18   53      6   10   14   17   19   20   22   25   27   29   31   34   42   47   49   51   56   58   60   64 
LCS_GDT     L    20_A     L    20_A     15   18   53      6   10   14   17   19   20   22   25   27   27   37   43   45   47   49   51   51   57   60   64 
LCS_GDT     V    21_A     V    21_A     15   18   53      5    9   14   17   19   20   22   33   35   39   43   45   47   47   49   51   51   53   60   64 
LCS_GDT     V    22_A     V    22_A     15   18   53      3   10   14   17   19   20   22   25   27   27   43   45   47   47   49   51   51   58   60   64 
LCS_GDT     R    23_A     R    23_A     15   18   53      3    6   14   17   19   20   22   24   34   39   43   45   47   47   49   51   51   53   54   58 
LCS_GDT     L    24_A     L    24_A     14   18   53      3    5   14   17   19   20   24   31   33   36   41   45   47   47   49   51   51   53   54   58 
LCS_GDT     A    25_A     A    25_A     14   18   53      3    6   14   17   19   20   22   25   27   31   38   44   47   47   49   51   54   58   60   64 
LCS_GDT     G    26_A     G    26_A      6   18   53      3    4    6    9   13   18   22   25   33   37   41   45   47   47   49   54   56   58   60   64 
LCS_GDT     V    27_A     V    27_A      4    6   53      3    4    5   13   18   20   28   33   35   39   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     P    28_A     P    28_A      4   19   53      3    4   12   18   22   28   33   36   38   41   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     P    29_A     P    29_A      4   19   53      4    8   13   22   23   28   33   36   38   41   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     H    30_A     H    30_A     17   19   53      3    9   13   19   21   24   28   33   35   39   43   45   47   47   49   52   53   54   58   61 
LCS_GDT     E    31_A     E    31_A     17   19   53     10   16   16   16   19   21   25   29   35   39   43   45   47   47   49   51   51   54   57   60 
LCS_GDT     R    32_A     R    32_A     17   19   53     12   16   16   16   17   19   21   26   33   35   41   44   47   47   49   51   51   54   57   60 
LCS_GDT     Y    33_A     Y    33_A     17   19   53     12   16   16   16   17   20   25   33   35   39   43   45   47   47   49   52   53   54   58   61 
LCS_GDT     E    34_A     E    34_A     17   19   53     12   16   16   17   20   24   28   33   35   39   43   45   47   47   49   51   51   53   57   58 
LCS_GDT     R    35_A     R    35_A     17   19   53     10   16   16   16   17   19   24   26   33   39   43   45   47   47   49   51   51   53   55   58 
LCS_GDT     L    36_A     L    36_A     17   19   53     12   16   16   16   17   19   21   26   30   35   43   45   47   47   49   51   51   53   55   58 
LCS_GDT     D    37_A     D    37_A     17   19   53     12   16   16   17   21   24   28   33   35   39   43   45   47   47   49   51   51   53   55   58 
LCS_GDT     R    38_A     R    38_A     17   19   53     12   16   16   17   20   22   28   33   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     W    39_A     W    39_A     17   19   53     12   16   16   16   17   19   21   26   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     I    40_A     I    40_A     17   19   53     12   16   16   16   17   19   21   26   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     T    41_A     T    41_A     17   19   53     12   16   16   18   21   24   28   33   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     E    42_A     E    42_A     17   19   53     12   16   16   16   17   21   28   33   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     Q    43_A     Q    43_A     17   19   53     12   16   16   16   17   19   21   32   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     L    44_A     L    44_A     17   19   53     12   16   16   17   21   24   27   33   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     I    45_A     I    45_A     17   19   53     11   16   16   16   18   24   28   33   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     Y    46_A     Y    46_A     17   19   53     11   16   16   16   17   20   28   33   35   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     R    52_A     R    52_A     18   21   53      4   10   12   19   21   24   25   27   33   39   43   45   47   47   49   51   51   53   54   55 
LCS_GDT     D    53_A     D    53_A     18   21   53     11   15   18   19   21   24   27   33   35   39   43   45   47   47   49   51   55   57   60   64 
LCS_GDT     E    54_A     E    54_A     18   21   53     11   15   18   19   21   24   28   33   35   39   43   45   47   47   49   54   56   58   60   64 
LCS_GDT     W    55_A     W    55_A     18   21   53     11   15   18   19   21   24   28   33   35   39   43   45   47   47   49   53   55   57   60   64 
LCS_GDT     I    56_A     I    56_A     18   21   53     11   15   18   19   21   24   28   33   35   39   43   45   47   47   49   53   55   57   60   64 
LCS_GDT     D    57_A     D    57_A     18   21   53     11   15   18   19   21   24   28   34   36   41   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     A    58_A     A    58_A     18   21   53     11   15   18   19   23   28   33   36   38   41   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     L    59_A     L    59_A     18   21   53     11   15   18   22   23   27   32   36   38   41   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     A    60_A     A    60_A     18   21   53     11   15   18   19   21   24   28   33   35   39   43   45   47   49   52   54   56   58   60   64 
LCS_GDT     E    61_A     E    61_A     18   21   53     11   15   18   19   21   24   28   33   35   39   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     A    62_A     A    62_A     18   21   53     11   15   18   19   21   24   28   33   35   41   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     A    63_A     A    63_A     18   21   53     11   15   18   19   21   24   28   33   35   39   43   45   47   50   52   54   56   58   60   64 
LCS_GDT     G    64_A     G    64_A     18   21   53      5   15   18   19   21   24   28   33   35   39   43   45   47   47   49   51   51   53   58   63 
LCS_GDT     I    65_A     I    65_A     18   21   53      5   15   18   19   21   24   28   33   35   39   43   45   47   47   49   51   51   53   57   63 
LCS_GDT     F    66_A     F    66_A     18   21   53      5   15   18   19   21   24   28   33   35   39   43   45   47   47   49   51   54   57   60   63 
LCS_GDT     K    67_A     K    67_A     18   21   53      5   15   18   19   21   24   28   33   35   39   43   45   47   47   49   51   51   56   59   63 
LCS_GDT     E    68_A     E    68_A     18   21   53      5   15   18   19   21   24   28   33   35   39   43   45   47   47   49   51   51   53   54   59 
LCS_GDT     A    69_A     A    69_A     18   21   53      5   15   18   19   21   24   28   33   35   39   43   45   47   47   49   51   51   53   54   62 
LCS_GDT     L    70_A     L    70_A     18   21   53      5   10   18   19   21   24   28   33   34   39   43   45   47   47   49   51   52   57   59   63 
LCS_GDT     E    71_A     E    71_A     18   21   53      4    9   17   19   20   22   28   33   34   39   43   45   47   47   49   51   51   53   57   63 
LCS_GDT     R    72_A     R    72_A      7   21   53      3    4    9   13   19   21   23   27   32   34   38   43   44   47   49   50   51   53   57   60 
LCS_GDT     N    73_A     N    73_A      4   13   53      3    4    5    6   10   13   17   22   23   23   26   30   36   41   44   48   51   56   59   63 
LCS_GDT     I    74_A     I    74_A      4    7   51      3    4    4    5    9   12   14   18   23   23   26   30   36   43   47   49   53   57   59   63 
LCS_GDT     T    75_A     T    75_A      4   19   48      3    4    4    9   11   18   21   24   26   26   35   41   44   45   47   51   56   58   60   63 
LCS_GDT     T    76_A     T    76_A     12   22   36      3    6   11   15   17   21   22   24   26   28   37   41   44   45   48   54   56   58   60   64 
LCS_GDT     P    77_A     P    77_A     14   24   36      5   11   13   15   18   22   24   26   29   31   37   44   46   50   52   54   56   58   60   64 
LCS_GDT     E    78_A     E    78_A     14   24   36      5   11   14   15   20   23   26   28   37   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     E    79_A     E    79_A     14   25   36      5   11   14   15   20   23   26   28   30   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     F    80_A     F    80_A     14   25   36      6   11   14   15   21   25   28   33   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     N    81_A     N    81_A     14   25   36      6   11   14   19   21   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     A    82_A     A    82_A     14   25   36      6   11   14   17   21   26   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     F    83_A     F    83_A     14   25   36      6   11   14   19   21   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     L    84_A     L    84_A     14   25   36      7   11   14   19   22   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     K    85_A     K    85_A     14   25   36      7   11   14   19   22   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     E    86_A     E    86_A     14   25   36      7   11   14   19   22   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     K    87_A     K    87_A     14   25   36      7   11   14   19   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     G    88_A     G    88_A     14   25   36      7   11   14   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     K    89_A     K    89_A     17   25   36      4   10   14   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     R    90_A     R    90_A     18   25   36      8   16   17   22   23   27   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     A    91_A     A    91_A     18   25   36      8   16   18   22   22   27   32   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     V    92_A     V    92_A     18   25   36      8   16   18   22   23   26   32   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     D    93_A     D    93_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     L    94_A     L    94_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     V    95_A     V    95_A     18   25   36      8   16   18   22   23   27   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     A    96_A     A    96_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     T    97_A     T    97_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     L    98_A     L    98_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     T    99_A     T    99_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     N   100_A     N   100_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     A   101_A     A   101_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     Y   102_A     Y   102_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     I   103_A     I   103_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     A   104_A     A   104_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     V   105_A     V   105_A     18   25   36      8   16   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     L   106_A     L   106_A     18   25   36      8   12   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     E   107_A     E   107_A     18   25   36      8   12   18   22   23   28   33   36   38   41   43   44   46   50   52   54   56   58   60   64 
LCS_GDT     G   108_A     G   108_A     10   19   36      3    3   14   14   15   16   18   21   29   39   40   40   45   49   52   53   55   57   60   64 
LCS_GDT     D   109_A     D   109_A     10   13   36      8   10   10   10   14   15   17   19   20   24   33   40   45   49   51   52   55   56   59   64 
LCS_GDT     P   110_A     P   110_A     10   13   36      8   10   10   10   12   16   19   21   24   33   37   40   45   49   51   53   55   57   60   64 
LCS_GDT     E   111_A     E   111_A     10   13   36      8   10   10   10   13   14   16   19   20   23   27   30   33   35   40   46   48   51   55   60 
LCS_GDT     A   112_A     A   112_A     10   13   34      8   10   10   10   13   14   16   19   20   23   27   30   33   35   39   43   48   49   55   58 
LCS_GDT     I   113_A     I   113_A     10   13   31      8   10   10   10   13   14   16   19   20   23   27   30   33   36   44   46   50   56   58   61 
LCS_GDT     A   114_A     A   114_A     10   13   30      8   10   10   10   13   14   15   18   20   23   26   30   33   35   39   41   43   51   55   58 
LCS_GDT     R   115_A     R   115_A     10   13   30      8   10   10   10   13   14   15   18   20   23   27   30   33   35   39   41   42   46   48   50 
LCS_GDT     F   116_A     F   116_A     10   13   30      8   10   10   10   13   14   15   17   19   23   27   30   33   35   39   41   42   46   48   50 
LCS_GDT     L   117_A     L   117_A     10   13   30      5   10   10   10   13   14   15   17   19   22   26   30   31   35   39   41   42   46   48   50 
LCS_GDT     G   118_A     G   118_A     10   13   35      4   10   10   10   13   14   15   17   20   23   27   30   33   35   39   41   42   46   48   50 
LCS_GDT     I   119_A     I   119_A      9   20   36      4    7    9   12   13   18   21   22   22   23   27   30   33   35   39   41   42   45   48   50 
LCS_GDT     S   120_A     S   120_A      9   20   36      4    7    9   12   15   20   21   22   22   27   28   32   34   35   39   41   42   45   48   50 
LCS_GDT     L   121_A     L   121_A     14   20   36      4    9   15   18   18   20   21   22   23   27   29   33   34   35   36   41   42   44   46   50 
LCS_GDT     E   122_A     E   122_A     17   20   36      4    7   13   18   18   20   21   22   24   27   29   33   34   35   35   38   42   44   46   49 
LCS_GDT     E   123_A     E   123_A     17   20   36      4   12   16   18   18   20   21   22   22   27   29   33   34   35   39   41   42   45   48   50 
LCS_GDT     V   124_A     V   124_A     17   20   36      4   15   16   18   18   20   21   22   24   27   29   33   34   35   39   41   42   45   48   50 
LCS_GDT     Q   125_A     Q   125_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   35   38   42   44   49   54   55 
LCS_GDT     E   126_A     E   126_A     17   20   36     13   15   16   18   18   20   21   22   22   27   29   33   34   35   39   41   42   45   48   53 
LCS_GDT     I   127_A     I   127_A     17   20   36     13   15   16   18   18   20   21   22   22   27   29   33   34   35   39   42   44   49   54   57 
LCS_GDT     I   128_A     I   128_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   38   42   48   50   54   57   63 
LCS_GDT     D   129_A     D   129_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   37   41   46   50   52   57   63 
LCS_GDT     A   130_A     A   130_A     17   20   36     13   15   16   18   18   20   21   22   22   24   29   33   34   35   39   43   48   52   57   62 
LCS_GDT     A   131_A     A   131_A     17   20   36     13   15   16   18   18   20   21   22   24   27   30   41   44   45   47   50   54   57   59   63 
LCS_GDT     R   132_A     R   132_A     17   20   36     13   15   16   18   18   20   21   22   24   28   34   41   44   45   47   51   54   57   59   63 
LCS_GDT     K   133_A     K   133_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   35   39   45   50   56   59   63 
LCS_GDT     A   134_A     A   134_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   35   39   45   50   56   59   63 
LCS_GDT     V   135_A     V   135_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   35   38   45   51   57   59   62 
LCS_GDT     K   136_A     K   136_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   35   39   41   45   50   53   58 
LCS_GDT     E   137_A     E   137_A     17   20   36     13   15   16   18   18   20   21   22   24   27   29   33   34   35   36   41   42   46   48   52 
LCS_GDT     G   138_A     G   138_A     17   20   36      8   15   16   18   18   20   21   22   24   27   29   33   34   35   35   36   38   43   46   49 
LCS_GDT     R   139_A     R   139_A      4   19   36      3    3    4    7   10   17   19   22   24   27   29   33   34   35   35   35   37   40   45   49 
LCS_GDT     G   140_A     G   140_A      4   15   36      3    3    5    8   15   20   21   22   24   27   29   33   34   35   35   35   37   39   43   45 
LCS_GDT     A   141_A     A   141_A     14   15   36     11   14   14   14   14   15   16   19   23   25   29   30   34   35   35   35   36   38   40   44 
LCS_GDT     S   142_A     S   142_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   35   35   35   35   36   37   40 
LCS_GDT     I   143_A     I   143_A     14   15   36     11   14   14   14   14   15   16   19   24   27   29   33   34   35   35   35   35   36   37   40 
LCS_GDT     G   144_A     G   144_A     14   15   36     11   14   14   14   14   15   16   18   23   25   29   33   34   40   43   47   51   56   59   63 
LCS_GDT     I   145_A     I   145_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   40   43   47   51   53   58   63 
LCS_GDT     Y   146_A     Y   146_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   37   41   44   47   51   54   59 
LCS_GDT     T   147_A     T   147_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   38   42   46   48   52   57   63 
LCS_GDT     K   148_A     K   148_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   40   43   48   51   54   57   63 
LCS_GDT     L   149_A     L   149_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   37   41   44   47   51   54   59 
LCS_GDT     R   150_A     R   150_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   37   41   44   47   51   54   56 
LCS_GDT     E   151_A     E   151_A     14   15   36     11   14   14   14   14   15   16   20   24   27   29   33   34   37   41   44   47   51   54   57 
LCS_GDT     L   152_A     L   152_A     14   15   36     10   14   14   14   14   15   16   20   24   27   29   33   34   35   35   41   42   46   48   57 
LCS_GDT     E   153_A     E   153_A     14   15   36      5   14   14   14   14   15   16   19   24   27   29   33   34   35   36   41   42   46   48   50 
LCS_GDT     E   154_A     E   154_A     14   15   36      6   14   14   14   14   15   16   19   24   27   29   33   34   35   35   41   42   46   48   51 
LCS_AVERAGE  LCS_A:  18.14  (  10.54   13.88   30.00 )

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     13     16     18     22     23     28     33     36     38     41     43     45     47     50     52     54     56     58     60     64 
GDT PERCENT_AT   9.22  11.35  12.77  15.60  16.31  19.86  23.40  25.53  26.95  29.08  30.50  31.91  33.33  35.46  36.88  38.30  39.72  41.13  42.55  45.39
GDT RMS_LOCAL    0.29   0.47   0.83   1.41   1.60   2.18   2.46   2.60   2.74   3.05   3.25   3.83   4.03   4.06   4.23   4.58   4.85   5.09   5.51   5.91
GDT RMS_ALL_AT  21.03  18.72  15.72  15.67  15.60  15.66  15.70  15.70  15.71  15.75  15.78  26.21  26.12  16.05  16.13  16.07  16.11  16.30  16.09  16.28

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  Y    16_A      Y    16_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  F    80_A      F    80_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  E   107_A      E   107_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  F   116_A      F   116_A
#   possible swapping detected:  D   129_A      D   129_A
#   possible swapping detected:  E   137_A      E   137_A
#   possible swapping detected:  Y   146_A      Y   146_A
#   possible swapping detected:  E   151_A      E   151_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     9_A      A     9_A     2.651     0    0.052   0.050     3.381   57.262   57.238
LGA    V    10_A      V    10_A     2.989     0    0.032   1.234     4.148   57.143   51.293
LGA    E    11_A      E    11_A     2.669     0    0.061   1.000     5.838   55.476   40.794
LGA    D    12_A      D    12_A     4.157     0    0.172   0.890     5.606   35.000   37.619
LGA    F    13_A      F    13_A     4.534     0    0.031   1.276     7.772   31.905   25.022
LGA    H    14_A      H    14_A     3.770     0    0.138   1.101     6.085   36.071   34.952
LGA    K    15_A      K    15_A     6.973     0    0.037   1.287     8.876   11.190    9.788
LGA    Y    16_A      Y    16_A     8.882     0    0.050   1.301    10.461    2.857    2.143
LGA    H    17_A      H    17_A     8.661     0    0.044   0.298    10.120    2.262    3.286
LGA    T    18_A      T    18_A     9.040     0    0.030   1.190    11.144    1.071    2.721
LGA    A    19_A      A    19_A    11.873     0    0.053   0.052    13.547    0.000    0.000
LGA    L    20_A      L    20_A    13.160     0    0.054   0.106    15.020    0.000    0.000
LGA    V    21_A      V    21_A    12.624     0    0.573   0.931    14.852    0.000    0.000
LGA    V    22_A      V    22_A    13.272     0    0.272   0.284    14.232    0.000    0.000
LGA    R    23_A      R    23_A    16.060     0    0.060   1.271    21.734    0.000    0.000
LGA    L    24_A      L    24_A    15.168     0    0.045   1.516    15.362    0.000    0.000
LGA    A    25_A      A    25_A    13.032     0    0.633   0.569    14.476    0.000    0.000
LGA    G    26_A      G    26_A    12.220     0    0.167   0.167    12.220    0.000    0.000
LGA    V    27_A      V    27_A     8.411     0    0.056   0.227    12.376   13.452    7.959
LGA    P    28_A      P    28_A     2.603     0    0.178   0.390     6.764   47.619   36.871
LGA    P    29_A      P    29_A     2.408     0    0.633   0.515     6.248   48.690   44.218
LGA    H    30_A      H    30_A     8.992     0    0.611   0.554    17.447    5.238    2.095
LGA    E    31_A      E    31_A    10.695     0    0.216   1.382    12.350    0.119    0.053
LGA    R    32_A      R    32_A    10.300     0    0.076   1.724    15.662    0.119    0.346
LGA    Y    33_A      Y    33_A     8.847     0    0.047   1.463    12.235    1.071    1.905
LGA    E    34_A      E    34_A    12.092     0    0.060   1.234    14.037    0.000    0.000
LGA    R    35_A      R    35_A    14.207     0    0.027   1.406    21.168    0.000    0.000
LGA    L    36_A      L    36_A    12.980     0    0.074   1.031    13.955    0.000    0.000
LGA    D    37_A      D    37_A    12.609     0    0.038   0.263    14.583    0.000    0.000
LGA    R    38_A      R    38_A    16.653     0    0.036   0.681    19.625    0.000    0.000
LGA    W    39_A      W    39_A    17.958     0    0.040   1.174    22.846    0.000    0.000
LGA    I    40_A      I    40_A    15.921     0    0.038   0.626    17.461    0.000    0.000
LGA    T    41_A      T    41_A    17.384     0    0.084   1.092    19.553    0.000    0.000
LGA    E    42_A      E    42_A    21.319     0    0.037   1.377    22.877    0.000    0.000
LGA    Q    43_A      Q    43_A    21.062     0    0.056   0.993    22.064    0.000    0.000
LGA    L    44_A      L    44_A    19.781     0    0.034   0.914    22.162    0.000    0.000
LGA    I    45_A      I    45_A    23.624     0    0.077   1.178    26.047    0.000    0.000
LGA    Y    46_A      Y    46_A    26.347     0    0.457   0.365    32.099    0.000    0.000
LGA    R    52_A      R    52_A    18.120     0    0.587   1.833    21.835    0.000    0.000
LGA    D    53_A      D    53_A    12.769     0    0.093   1.223    14.998    0.714    0.357
LGA    E    54_A      E    54_A     8.405     0    0.087   1.129    10.456    6.667    3.651
LGA    W    55_A      W    55_A    10.316     0    0.029   0.315    18.007    2.143    0.612
LGA    I    56_A      I    56_A    10.009     0    0.043   1.392    14.880    4.405    2.202
LGA    D    57_A      D    57_A     4.644     0    0.055   1.134     6.274   37.262   32.679
LGA    A    58_A      A    58_A     2.802     0    0.062   0.062     5.530   60.952   53.048
LGA    L    59_A      L    59_A     3.646     0    0.065   0.918    10.507   41.905   26.131
LGA    A    60_A      A    60_A     7.771     0    0.021   0.043     9.499    9.286    7.714
LGA    E    61_A      E    61_A     8.320     0    0.046   1.123    13.200    5.714    3.069
LGA    A    62_A      A    62_A     6.671     0    0.107   0.105     8.297   12.143   14.952
LGA    A    63_A      A    63_A     7.687     0    0.034   0.042    11.285    6.071    5.429
LGA    G    64_A      G    64_A    14.479     0    0.090   0.090    17.071    0.000    0.000
LGA    I    65_A      I    65_A    15.328     0    0.026   1.511    16.662    0.000    0.000
LGA    F    66_A      F    66_A    11.728     0    0.113   0.138    14.203    0.000    5.065
LGA    K    67_A      K    67_A    15.832     0    0.038   0.934    23.459    0.000    0.000
LGA    E    68_A      E    68_A    21.918     0    0.096   0.595    26.905    0.000    0.000
LGA    A    69_A      A    69_A    19.875     0    0.022   0.039    20.158    0.000    0.000
LGA    L    70_A      L    70_A    16.419     0    0.076   0.234    18.822    0.000    0.000
LGA    E    71_A      E    71_A    23.405     0    0.187   1.469    29.367    0.000    0.000
LGA    R    72_A      R    72_A    25.031     0    0.511   0.578    32.630    0.000    0.000
LGA    N    73_A      N    73_A    21.294     0    0.234   1.436    23.551    0.000    0.000
LGA    I    74_A      I    74_A    16.819     0    0.063   1.428    18.368    0.000    0.000
LGA    T    75_A      T    75_A    12.019     0    0.729   1.083    14.633    0.000    0.000
LGA    T    76_A      T    76_A     9.439     0    0.102   1.062    10.291    4.048    2.585
LGA    P    77_A      P    77_A     7.013     0    0.155   0.148     9.266   15.119   10.068
LGA    E    78_A      E    78_A     5.844     0    0.075   0.886     7.934   21.548   17.143
LGA    E    79_A      E    79_A     6.541     0    0.103   0.926     9.478   21.071   11.958
LGA    F    80_A      F    80_A     4.793     0    0.040   1.438     5.440   37.738   35.368
LGA    N    81_A      N    81_A     2.734     0    0.036   0.985     3.578   55.595   56.429
LGA    A    82_A      A    82_A     3.763     0    0.051   0.049     4.810   48.452   45.048
LGA    F    83_A      F    83_A     2.927     0    0.021   1.365     4.261   61.190   55.671
LGA    L    84_A      L    84_A     1.454     0    0.055   1.042     3.658   83.810   71.667
LGA    K    85_A      K    85_A     1.846     0    0.073   1.605     3.333   75.000   64.339
LGA    E    86_A      E    86_A     1.452     0    0.049   0.232     4.504   88.571   66.032
LGA    K    87_A      K    87_A     1.162     0    0.124   0.969     6.280   79.524   56.667
LGA    G    88_A      G    88_A     1.862     0    0.087   0.087     2.304   70.952   70.952
LGA    K    89_A      K    89_A     2.750     0    0.025   1.508     9.776   57.262   38.836
LGA    R    90_A      R    90_A     3.095     0    0.082   1.141    11.111   51.786   29.264
LGA    A    91_A      A    91_A     3.647     0    0.031   0.049     4.335   45.000   43.429
LGA    V    92_A      V    92_A     3.699     0    0.047   0.110     4.637   46.667   41.769
LGA    D    93_A      D    93_A     2.034     0    0.043   1.224     4.089   69.048   64.464
LGA    L    94_A      L    94_A     1.960     0    0.061   1.136     6.514   70.833   53.512
LGA    V    95_A      V    95_A     3.115     0    0.028   0.072     4.666   55.357   46.735
LGA    A    96_A      A    96_A     2.877     0    0.050   0.050     3.394   60.952   58.762
LGA    T    97_A      T    97_A     1.307     0    0.025   0.076     1.622   79.286   80.204
LGA    L    98_A      L    98_A     1.366     0    0.053   0.950     4.913   81.429   67.976
LGA    T    99_A      T    99_A     1.876     0    0.056   1.180     4.932   72.857   64.626
LGA    N   100_A      N   100_A     2.227     0    0.101   1.143     6.873   70.833   50.179
LGA    A   101_A      A   101_A     1.402     0    0.024   0.040     1.551   79.286   79.714
LGA    Y   102_A      Y   102_A     1.371     0    0.045   0.571     5.171   81.429   58.413
LGA    I   103_A      I   103_A     1.146     0    0.035   1.074     4.820   81.429   65.417
LGA    A   104_A      A   104_A     2.142     0    0.052   0.052     2.661   64.881   63.333
LGA    V   105_A      V   105_A     2.628     0    0.029   0.159     3.225   57.262   56.190
LGA    L   106_A      L   106_A     2.640     0    0.045   0.997     3.408   57.262   63.036
LGA    E   107_A      E   107_A     2.551     0    0.429   1.071     9.788   47.857   29.683
LGA    G   108_A      G   108_A     7.274     0    0.474   0.474     9.012   11.905   11.905
LGA    D   109_A      D   109_A    11.041     0    0.318   1.139    14.531    0.357    0.179
LGA    P   110_A      P   110_A    10.983     0    0.079   0.348    14.284    0.000    0.408
LGA    E   111_A      E   111_A    16.701     0    0.031   1.401    21.169    0.000    0.000
LGA    A   112_A      A   112_A    16.724     0    0.054   0.053    17.657    0.000    0.000
LGA    I   113_A      I   113_A    14.611     0    0.032   1.211    17.858    0.000    0.000
LGA    A   114_A      A   114_A    19.277     0    0.028   0.044    22.751    0.000    0.000
LGA    R   115_A      R   115_A    23.320     0    0.051   1.364    26.449    0.000    0.000
LGA    F   116_A      F   116_A    21.238     0    0.068   0.371    23.592    0.000    0.000
LGA    L   117_A      L   117_A    22.768     0    0.067   0.126    26.167    0.000    0.000
LGA    G   118_A      G   118_A    27.323     0    0.309   0.309    29.440    0.000    0.000
LGA    I   119_A      I   119_A    27.950     0    0.098   1.145    29.607    0.000    0.000
LGA    S   120_A      S   120_A    32.001     0    0.020   0.101    33.687    0.000    0.000
LGA    L   121_A      L   121_A    31.466     0    0.098   0.945    33.830    0.000    0.000
LGA    E   122_A      E   122_A    32.654     0    0.056   1.450    35.431    0.000    0.000
LGA    E   123_A      E   123_A    29.241     0    0.055   0.945    31.922    0.000    0.000
LGA    V   124_A      V   124_A    24.806     0    0.044   0.102    26.838    0.000    0.000
LGA    Q   125_A      Q   125_A    24.721     0    0.093   1.163    27.557    0.000    0.000
LGA    E   126_A      E   126_A    25.361     0    0.052   1.319    32.828    0.000    0.000
LGA    I   127_A      I   127_A    19.688     0    0.027   0.612    23.071    0.000    0.000
LGA    I   128_A      I   128_A    15.846     0    0.035   1.202    17.775    0.000    0.000
LGA    D   129_A      D   129_A    18.480     0    0.050   1.282    22.513    0.000    0.000
LGA    A   130_A      A   130_A    18.587     0    0.021   0.039    19.479    0.000    0.000
LGA    A   131_A      A   131_A    12.189     0    0.043   0.064    14.381    0.000    0.000
LGA    R   132_A      R   132_A    11.745     0    0.052   0.631    15.345    0.000    0.000
LGA    K   133_A      K   133_A    17.583     0    0.030   1.345    25.169    0.000    0.000
LGA    A   134_A      A   134_A    16.590     0    0.065   0.064    17.343    0.000    0.000
LGA    V   135_A      V   135_A    13.629     0    0.052   1.216    17.013    0.000    0.068
LGA    K   136_A      K   136_A    17.641     0    0.092   0.834    21.802    0.000    0.000
LGA    E   137_A      E   137_A    23.096     0    0.288   1.107    28.870    0.000    0.000
LGA    G   138_A      G   138_A    22.349     0    0.228   0.228    25.136    0.000    0.000
LGA    R   139_A      R   139_A    24.572     0    0.230   0.987    30.547    0.000    0.000
LGA    G   140_A      G   140_A    19.588     0    0.499   0.499    20.800    0.000    0.000
LGA    A   141_A      A   141_A    19.149     0    0.627   0.610    20.002    0.000    0.000
LGA    S   142_A      S   142_A    23.520     0    0.133   0.131    26.061    0.000    0.000
LGA    I   143_A      I   143_A    24.218     0    0.022   1.328    27.112    0.000    0.000
LGA    G   144_A      G   144_A    17.634     0    0.038   0.038    19.895    0.000    0.000
LGA    I   145_A      I   145_A    18.267     0    0.038   1.107    21.033    0.000    0.000
LGA    Y   146_A      Y   146_A    24.160     0    0.038   0.869    30.735    0.000    0.000
LGA    T   147_A      T   147_A    21.388     0    0.026   1.016    22.109    0.000    0.000
LGA    K   148_A      K   148_A    17.198     0    0.046   0.876    19.640    0.000    0.000
LGA    L   149_A      L   149_A    22.959     0    0.040   1.424    26.511    0.000    0.000
LGA    R   150_A      R   150_A    26.328     0    0.026   1.523    34.832    0.000    0.000
LGA    E   151_A      E   151_A    21.968     0    0.053   1.377    23.820    0.000    0.000
LGA    L   152_A      L   152_A    24.030     0    0.048   0.891    28.081    0.000    0.000
LGA    E   153_A      E   153_A    30.770     0    0.137   0.217    35.439    0.000    0.000
LGA    E   154_A      E   154_A    30.493     0    0.120   0.863    30.555    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    1131   1131  100.00               141
SUMMARY(RMSD_GDC):    14.084         14.090                 14.889           17.726   15.214

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  158  141    4.0     36    2.60    22.695    20.789     1.334

LGA_LOCAL      RMSD:   2.599  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.703  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  14.084  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.586989 * X  +  -0.071494 * Y  +  -0.806432 * Z  + -22.277620
  Y_new =   0.695939 * X  +   0.553508 * Y  +   0.457492 * Z  + -55.205471
  Z_new =   0.413658 * X  +  -0.829770 * Y  +   0.374658 * Z  +  45.916142 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.870117 -0.426469 -1.146679   [DEG:   49.8540  -24.4349  -65.6998 ]
ZXZ: -2.086828  1.186768  2.679128   [DEG: -119.5664   67.9968  153.5027 ]
 
# END of job
