
#######################################################
#                                                     #
#                        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        4.84    26.34
  LONGEST_CONTINUOUS_SEGMENT:    53      17_A - 74_A        4.88    26.17
  LCS_AVERAGE:     30.07

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      52_A - 73_A        1.76    23.60
  LONGEST_CONTINUOUS_SEGMENT:    22      76_A - 97_A        1.87    17.94
  LONGEST_CONTINUOUS_SEGMENT:    22      86_A - 107_A       1.94    16.34
  LONGEST_CONTINUOUS_SEGMENT:    22      87_A - 108_A       1.91    15.98
  LCS_AVERAGE:     13.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      89_A - 107_A       0.97    15.67
  LCS_AVERAGE:     10.77

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     17   18   38      6   12   17   18   18   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     V    10_A     V    10_A     17   18   38      5   12   17   18   18   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     E    11_A     E    11_A     17   18   38      5    9   17   18   18   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     D    12_A     D    12_A     17   18   38      5   12   17   18   18   22   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     F    13_A     F    13_A     17   18   38      5   11   17   18   18   18   19   22   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     H    14_A     H    14_A     17   18   38      5   11   17   18   18   23   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     K    15_A     K    15_A     17   18   38      7   12   17   18   18   18   19   27   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     Y    16_A     Y    16_A     17   18   53      7   12   17   18   18   18   19   22   23   26   32   42   44   48   51   55   56   57   60   63 
LCS_GDT     H    17_A     H    17_A     17   18   53      7   12   17   18   18   18   19   27   32   36   40   43   46   49   51   55   56   57   60   63 
LCS_GDT     T    18_A     T    18_A     17   18   53      7   12   17   18   18   18   19   22   23   26   32   38   45   49   51   55   56   57   60   63 
LCS_GDT     A    19_A     A    19_A     17   18   53      7   12   17   18   18   18   19   22   23   26   32   35   43   47   51   55   56   57   60   63 
LCS_GDT     L    20_A     L    20_A     17   18   53      7   12   17   18   18   18   19   22   23   32   38   43   46   49   51   53   54   55   58   63 
LCS_GDT     V    21_A     V    21_A     17   18   53      7   12   17   18   18   18   19   26   34   38   41   43   46   49   51   53   54   55   57   63 
LCS_GDT     V    22_A     V    22_A     17   18   53      7   12   17   18   18   18   19   22   23   34   40   43   46   49   51   53   54   55   57   63 
LCS_GDT     R    23_A     R    23_A     17   18   53      3   12   17   18   18   18   19   22   28   36   38   43   46   49   51   53   54   55   55   56 
LCS_GDT     L    24_A     L    24_A     17   18   53      3   11   17   18   18   18   19   22   23   31   36   41   45   49   51   53   54   55   55   56 
LCS_GDT     A    25_A     A    25_A     17   18   53      3    6   17   18   18   18   19   22   23   31   35   42   46   49   51   53   54   55   55   56 
LCS_GDT     G    26_A     G    26_A      4   18   53      3    3   10   11   17   19   24   31   35   38   41   43   46   49   51   55   56   57   58   63 
LCS_GDT     V    27_A     V    27_A      4    7   53      3    3    4    6   10   23   24   32   35   38   41   43   46   49   51   55   56   57   58   63 
LCS_GDT     P    28_A     P    28_A      4   19   53      3    8   17   21   22   24   29   31   34   38   41   43   46   49   51   55   56   57   58   63 
LCS_GDT     P    29_A     P    29_A      4   19   53      3    3    5    6    9   23   25   28   35   38   41   43   46   49   51   53   55   57   58   63 
LCS_GDT     H    30_A     H    30_A     17   19   53      3    4    8   15   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   58 
LCS_GDT     E    31_A     E    31_A     17   19   53     10   15   16   18   19   23   27   32   34   37   41   43   46   49   51   53   54   55   55   58 
LCS_GDT     R    32_A     R    32_A     17   19   53     13   15   16   18   19   21   22   26   31   36   40   43   46   49   51   53   54   55   55   58 
LCS_GDT     Y    33_A     Y    33_A     17   19   53     13   15   16   18   19   21   25   32   35   38   41   43   46   49   51   53   54   55   55   58 
LCS_GDT     E    34_A     E    34_A     17   19   53     13   15   16   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     R    35_A     R    35_A     17   19   53     13   15   16   18   19   21   25   31   34   36   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     L    36_A     L    36_A     17   19   53     13   15   16   18   19   21   22   26   31   36   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     D    37_A     D    37_A     17   19   53     13   15   16   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     R    38_A     R    38_A     17   19   53     13   15   16   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     W    39_A     W    39_A     17   19   53     13   15   16   18   19   21   23   31   34   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     I    40_A     I    40_A     17   19   53     13   15   16   18   19   21   22   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     T    41_A     T    41_A     17   19   53     13   15   16   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     E    42_A     E    42_A     17   19   53     13   15   16   18   19   23   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     Q    43_A     Q    43_A     17   19   53     13   15   16   18   19   21   23   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     L    44_A     L    44_A     17   19   53     13   15   16   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     I    45_A     I    45_A     17   19   53     10   15   16   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     Y    46_A     Y    46_A     17   19   53      5   14   16   18   19   22   27   32   35   38   41   43   46   49   51   53   54   55   55   56 
LCS_GDT     R    52_A     R    52_A     13   22   53      4    9   12   17   19   21   23   24   31   36   41   43   46   49   51   53   54   55   56   61 
LCS_GDT     D    53_A     D    53_A     18   22   53      4   11   12   18   20   23   27   32   35   38   41   43   46   49   51   53   54   57   60   63 
LCS_GDT     E    54_A     E    54_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   57   60   63 
LCS_GDT     W    55_A     W    55_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   57   60   63 
LCS_GDT     I    56_A     I    56_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   57   60   63 
LCS_GDT     D    57_A     D    57_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     A    58_A     A    58_A     18   22   53      9   14   17   20   22   23   29   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     L    59_A     L    59_A     18   22   53      9   14   18   20   22   23   27   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     A    60_A     A    60_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     E    61_A     E    61_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     A    62_A     A    62_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     A    63_A     A    63_A     18   22   53      9   14   17   18   20   23   27   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     G    64_A     G    64_A     18   22   53      4   14   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   59   63 
LCS_GDT     I    65_A     I    65_A     18   22   53      5   14   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   59   63 
LCS_GDT     F    66_A     F    66_A     18   22   53      5   14   17   18   20   23   27   32   35   38   41   43   46   49   51   55   56   57   60   63 
LCS_GDT     K    67_A     K    67_A     18   22   53      5   14   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   59   63 
LCS_GDT     E    68_A     E    68_A     18   22   53      4   14   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   55   61 
LCS_GDT     A    69_A     A    69_A     18   22   53      4   13   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   58   63 
LCS_GDT     L    70_A     L    70_A     18   22   53      3   13   17   18   20   23   27   32   35   38   41   43   46   49   51   53   54   57   60   63 
LCS_GDT     E    71_A     E    71_A     18   22   53      3    6   15   18   20   23   27   32   35   38   41   43   46   49   51   53   54   55   58   61 
LCS_GDT     R    72_A     R    72_A      9   22   53      3    5   12   18   20   23   27   30   35   38   41   43   46   49   51   53   54   55   58   61 
LCS_GDT     N    73_A     N    73_A      3   22   53      3    3    4    6   14   20   22   23   25   29   37   39   43   46   48   50   52   53   59   63 
LCS_GDT     I    74_A     I    74_A      3    6   53      3    3    4    7   13   17   21   23   23   25   28   36   38   43   45   48   51   57   60   63 
LCS_GDT     T    75_A     T    75_A      3   21   51      3    3    4    6   13   18   20   22   24   24   26   30   34   39   44   48   51   57   60   63 
LCS_GDT     T    76_A     T    76_A     18   22   36      4   13   17   19   20   20   21   24   25   26   27   31   34   38   44   50   53   57   60   63 
LCS_GDT     P    77_A     P    77_A     18   22   36      9   13   17   19   20   20   23   24   25   27   29   31   38   41   51   55   56   57   60   63 
LCS_GDT     E    78_A     E    78_A     18   22   36      9   13   17   19   20   20   23   24   26   29   30   35   44   48   51   55   56   57   60   63 
LCS_GDT     E    79_A     E    79_A     18   22   36      9   13   17   19   20   20   23   24   25   26   29   31   34   39   51   55   56   57   60   63 
LCS_GDT     F    80_A     F    80_A     18   22   36      9   13   17   19   20   20   23   24   25   29   30   31   42   48   51   55   56   57   60   63 
LCS_GDT     N    81_A     N    81_A     18   22   36      9   13   17   19   20   20   23   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     A    82_A     A    82_A     18   22   36      9   13   17   19   20   20   23   26   31   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     F    83_A     F    83_A     18   22   36      9   13   17   19   20   20   23   26   27   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     L    84_A     L    84_A     18   22   36      4   13   17   19   20   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     K    85_A     K    85_A     18   22   36      9   13   17   19   20   23   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     E    86_A     E    86_A     18   22   36      9   13   17   19   20   21   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     K    87_A     K    87_A     18   22   36      4   13   17   19   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     G    88_A     G    88_A     18   22   36      4    9   17   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     K    89_A     K    89_A     19   22   36      4   13   17   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     R    90_A     R    90_A     19   22   36      9   16   18   21   22   23   27   31   33   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     A    91_A     A    91_A     19   22   36      5   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     V    92_A     V    92_A     19   22   36      7   15   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     D    93_A     D    93_A     19   22   36      6   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     L    94_A     L    94_A     19   22   36      7   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     V    95_A     V    95_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     A    96_A     A    96_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     T    97_A     T    97_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     L    98_A     L    98_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     T    99_A     T    99_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     N   100_A     N   100_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     A   101_A     A   101_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     Y   102_A     Y   102_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     I   103_A     I   103_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     A   104_A     A   104_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     V   105_A     V   105_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     L   106_A     L   106_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     E   107_A     E   107_A     19   22   36     12   16   18   21   22   24   29   31   34   38   39   42   44   48   51   55   56   57   60   63 
LCS_GDT     G   108_A     G   108_A      4   22   36      3    4    5   10   13   14   25   26   32   35   39   42   44   48   51   55   56   57   58   63 
LCS_GDT     D   109_A     D   109_A     10   13   36      8   10   14   18   18   18   19   22   27   35   37   40   43   48   51   52   56   57   58   63 
LCS_GDT     P   110_A     P   110_A     10   13   36      8   10   10   11   12   14   17   22   25   30   37   40   43   48   51   55   56   57   58   63 
LCS_GDT     E   111_A     E   111_A     10   13   35      8   10   10   11   13   18   18   19   21   25   26   29   34   39   44   47   49   51   58   62 
LCS_GDT     A   112_A     A   112_A     10   13   33      8   10   10   11   13   14   15   19   21   23   26   29   32   35   41   42   48   51   54   59 
LCS_GDT     I   113_A     I   113_A     10   13   31      8   10   10   11   13   14   15   19   21   23   26   29   34   39   44   47   51   56   58   62 
LCS_GDT     A   114_A     A   114_A     10   13   29      8   10   10   11   13   14   15   19   20   22   26   29   32   35   39   41   44   49   54   59 
LCS_GDT     R   115_A     R   115_A     10   13   29      8   10   10   11   13   14   15   17   19   22   24   29   32   35   39   41   43   47   49   51 
LCS_GDT     F   116_A     F   116_A     10   13   29      8   10   10   11   13   14   15   16   20   22   24   29   32   34   39   41   43   47   49   51 
LCS_GDT     L   117_A     L   117_A     10   13   29      3   10   10   11   13   14   15   16   19   22   24   26   30   34   36   41   43   47   49   51 
LCS_GDT     G   118_A     G   118_A     10   13   29      3   10   10   11   13   14   15   16   18   21   24   29   32   34   37   41   43   47   48   51 
LCS_GDT     I   119_A     I   119_A      3    5   36      3    3    4    6    7   10   13   17   21   22   24   29   32   34   36   40   41   42   45   49 
LCS_GDT     S   120_A     S   120_A      3    6   36      3    3    7   11   15   15   15   16   20   22   22   30   31   34   36   40   41   42   45   47 
LCS_GDT     L   121_A     L   121_A      4   18   36      4    4    4    8   10   12   18   20   21   25   27   32   33   33   34   35   38   42   43   47 
LCS_GDT     E   122_A     E   122_A      4   18   36      4    4    5    8   15   17   18   20   25   27   30   32   33   33   34   37   39   42   45   47 
LCS_GDT     E   123_A     E   123_A     16   18   36     10   16   16   16   16   17   18   20   21   24   30   32   33   34   36   40   41   42   45   47 
LCS_GDT     V   124_A     V   124_A     16   18   36     10   16   16   16   16   17   18   20   24   27   30   32   33   34   36   40   41   44   47   51 
LCS_GDT     Q   125_A     Q   125_A     16   18   36     13   16   16   16   16   17   18   20   25   27   30   32   33   34   38   42   47   49   52   55 
LCS_GDT     E   126_A     E   126_A     16   18   36     13   16   16   16   16   17   18   20   21   27   29   32   33   34   36   40   41   45   51   54 
LCS_GDT     I   127_A     I   127_A     16   18   36     13   16   16   16   16   17   18   20   21   25   30   32   33   34   36   42   47   49   52   55 
LCS_GDT     I   128_A     I   128_A     16   18   36     13   16   16   16   16   17   18   20   25   27   30   32   34   36   41   45   48   54   56   61 
LCS_GDT     D   129_A     D   129_A     16   18   36     13   16   16   16   16   17   18   20   25   27   30   32   34   36   41   45   48   52   58   61 
LCS_GDT     A   130_A     A   130_A     16   18   36     13   16   16   16   16   17   18   20   21   27   30   32   33   34   36   43   47   51   58   61 
LCS_GDT     A   131_A     A   131_A     16   18   36     13   16   16   16   16   17   18   21   25   27   30   32   38   41   44   47   52   57   60   63 
LCS_GDT     R   132_A     R   132_A     16   18   36     13   16   16   16   16   19   19   21   25   27   30   35   38   42   45   48   53   57   60   63 
LCS_GDT     K   133_A     K   133_A     16   18   36     13   16   16   16   16   17   18   20   25   27   30   32   33   35   39   43   48   53   58   63 
LCS_GDT     A   134_A     A   134_A     16   18   36     13   16   16   16   16   17   18   20   25   27   30   32   33   35   39   43   49   53   59   63 
LCS_GDT     V   135_A     V   135_A     16   18   36     13   16   16   16   16   17   18   20   25   27   30   32   33   37   39   46   51   54   59   63 
LCS_GDT     K   136_A     K   136_A     16   18   36     13   16   16   16   16   17   18   20   23   27   30   32   33   35   39   41   45   51   54   58 
LCS_GDT     E   137_A     E   137_A     16   18   36     13   16   16   16   16   17   18   20   25   27   30   32   33   35   39   41   43   47   49   52 
LCS_GDT     G   138_A     G   138_A     16   18   36      8   16   16   16   16   17   18   20   25   27   30   32   33   33   34   35   38   42   44   49 
LCS_GDT     R   139_A     R   139_A      5   17   36      4    4    5    5    7   12   17   20   25   27   30   32   33   33   34   35   37   39   44   47 
LCS_GDT     G   140_A     G   140_A      5   15   36      4    4    5    7   12   16   18   20   25   27   30   32   33   33   34   35   36   38   40   43 
LCS_GDT     A   141_A     A   141_A     14   15   36      9   14   14   14   15   15   15   17   21   25   27   29   32   33   34   35   35   36   39   41 
LCS_GDT     S   142_A     S   142_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   33   33   34   35   35   35   36   36 
LCS_GDT     I   143_A     I   143_A     14   15   36     11   14   14   14   15   15   15   19   25   27   30   32   33   33   34   35   35   35   39   41 
LCS_GDT     G   144_A     G   144_A     14   15   36     11   14   14   14   15   15   15   17   21   25   29   32   33   39   44   47   51   55   59   63 
LCS_GDT     I   145_A     I   145_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   34   39   42   47   51   55   58   63 
LCS_GDT     Y   146_A     Y   146_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   33   36   41   45   48   51   54   58 
LCS_GDT     T   147_A     T   147_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   34   39   41   45   49   52   58   61 
LCS_GDT     K   148_A     K   148_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   34   39   42   47   51   55   58   61 
LCS_GDT     L   149_A     L   149_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   34   36   41   45   48   51   54   58 
LCS_GDT     R   150_A     R   150_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   34   36   41   43   48   49   52   55 
LCS_GDT     E   151_A     E   151_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   34   36   41   43   48   49   54   57 
LCS_GDT     L   152_A     L   152_A     14   15   36     11   14   14   14   15   15   17   20   25   27   30   32   33   35   39   41   43   47   49   53 
LCS_GDT     E   153_A     E   153_A     14   15   36      4   14   14   14   15   15   15   21   25   27   30   32   33   35   39   41   43   47   49   51 
LCS_GDT     E   154_A     E   154_A     14   15   36      8   14   14   14   15   15   17   21   25   27   30   32   33   35   39   41   43   47   49   51 
LCS_AVERAGE  LCS_A:  18.04  (  10.77   13.26   30.07 )

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     21     22     24     29     32     35     38     41     43     46     49     51     55     56     57     60     63 
GDT PERCENT_AT   9.22  11.35  12.77  14.89  15.60  17.02  20.57  22.70  24.82  26.95  29.08  30.50  32.62  34.75  36.17  39.01  39.72  40.43  42.55  44.68
GDT RMS_LOCAL    0.23   0.43   0.70   1.26   1.29   2.06   2.47   2.82   2.98   3.24   3.54   3.71   4.00   4.25   4.62   5.03   5.12   5.20   6.14   5.95
GDT RMS_ALL_AT  20.73  21.06  15.71  15.90  15.54  15.65  15.56  25.98  25.85  25.81  25.87  25.87  26.14  26.11  16.21  16.16  16.16  16.09  15.66  16.20

# Checking swapping
#   possible swapping detected:  D    12_A      D    12_A
#   possible swapping detected:  F    13_A      F    13_A
#   possible swapping detected:  Y    16_A      Y    16_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  E    42_A      E    42_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    68_A      E    68_A
#   possible swapping detected:  F    80_A      F    80_A
#   possible swapping detected:  F    83_A      F    83_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:  E   123_A      E   123_A
#   possible swapping detected:  E   126_A      E   126_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     9_A      A     9_A    15.652     0    0.058   0.056    17.479    0.000    0.000
LGA    V    10_A      V    10_A    11.877     0    0.033   1.221    13.334    0.000    0.000
LGA    E    11_A      E    11_A    17.398     0    0.035   0.970    24.862    0.000    0.000
LGA    D    12_A      D    12_A    16.649     0    0.174   1.116    21.683    0.000    0.000
LGA    F    13_A      F    13_A     9.783     0    0.047   1.350    12.125    1.667   12.294
LGA    H    14_A      H    14_A    10.444     0    0.153   1.014    18.364    0.000    0.000
LGA    K    15_A      K    15_A    14.481     0    0.042   1.435    23.170    0.000    0.000
LGA    Y    16_A      Y    16_A    11.495     0    0.062   1.194    21.348    1.071    0.357
LGA    H    17_A      H    17_A     5.795     0    0.029   1.136     8.561   17.976   15.762
LGA    T    18_A      T    18_A     8.920     0    0.046   1.201    12.791    4.405    2.517
LGA    A    19_A      A    19_A    10.297     0    0.037   0.041    12.480    2.500    2.000
LGA    L    20_A      L    20_A     6.985     0    0.030   1.007    11.129   17.738   10.298
LGA    V    21_A      V    21_A     5.238     0    0.042   1.037     9.056   26.310   18.571
LGA    V    22_A      V    22_A     7.012     0    0.075   0.119    10.718   16.429    9.592
LGA    R    23_A      R    23_A     7.006     0    0.058   1.426    14.806   15.357    5.758
LGA    L    24_A      L    24_A     6.872     0    0.694   0.578    11.603   18.333    9.821
LGA    A    25_A      A    25_A     7.399     0    0.600   0.542     9.362   12.619   10.381
LGA    G    26_A      G    26_A     5.043     0    0.300   0.300     5.798   27.619   27.619
LGA    V    27_A      V    27_A     4.510     0    0.078   0.162     4.820   32.857   33.061
LGA    P    28_A      P    28_A     5.594     0    0.152   0.302     6.040   26.310   24.286
LGA    P    29_A      P    29_A     4.836     0    0.638   0.639     6.304   27.976   23.946
LGA    H    30_A      H    30_A     1.813     0    0.526   1.195     2.244   72.976   72.143
LGA    E    31_A      E    31_A     5.850     0    0.227   1.135    11.758   24.286   11.111
LGA    R    32_A      R    32_A     7.714     0    0.078   1.675    15.312   13.690    5.152
LGA    Y    33_A      Y    33_A     4.307     0    0.037   1.426    14.968   47.619   19.802
LGA    E    34_A      E    34_A     1.873     0    0.077   1.216     8.296   67.619   38.519
LGA    R    35_A      R    35_A     6.490     0    0.021   1.507    13.573   20.714    7.792
LGA    L    36_A      L    36_A     6.802     0    0.061   1.445    11.951   22.024   11.964
LGA    D    37_A      D    37_A     2.452     0    0.043   0.527     5.796   71.667   52.262
LGA    R    38_A      R    38_A     3.264     0    0.034   1.321    14.295   52.381   21.429
LGA    W    39_A      W    39_A     6.132     0    0.033   1.213    11.853   25.238   10.986
LGA    I    40_A      I    40_A     4.769     0    0.028   0.147     9.058   40.714   25.774
LGA    T    41_A      T    41_A     1.826     0    0.055   1.191     5.012   77.143   62.109
LGA    E    42_A      E    42_A     3.906     0    0.046   0.656    11.008   47.143   23.386
LGA    Q    43_A      Q    43_A     5.097     0    0.071   1.288    13.922   37.500   18.307
LGA    L    44_A      L    44_A     3.105     0    0.024   0.869     8.160   61.190   38.095
LGA    I    45_A      I    45_A     2.526     0    0.069   0.186     6.059   65.119   45.417
LGA    Y    46_A      Y    46_A     4.518     0    0.245   1.416    12.210   43.690   17.143
LGA    R    52_A      R    52_A     6.117     0    0.589   1.399    15.765   24.286    9.221
LGA    D    53_A      D    53_A     3.644     0    0.141   0.944     7.667   54.524   36.964
LGA    E    54_A      E    54_A     1.445     0    0.076   0.921     5.114   70.952   56.085
LGA    W    55_A      W    55_A     3.721     0    0.103   0.324    11.485   53.810   19.286
LGA    I    56_A      I    56_A     2.258     0    0.050   1.678     6.371   71.190   58.988
LGA    D    57_A      D    57_A     0.416     0    0.067   0.899     4.711   92.857   74.167
LGA    A    58_A      A    58_A     2.153     0    0.068   0.066     3.136   68.929   65.143
LGA    L    59_A      L    59_A     1.896     0    0.082   0.162     4.667   81.667   61.964
LGA    A    60_A      A    60_A     0.598     0    0.023   0.046     1.418   88.333   86.952
LGA    E    61_A      E    61_A     2.252     0    0.049   0.509     4.334   67.024   55.450
LGA    A    62_A      A    62_A     2.698     0    0.118   0.117     3.141   62.857   60.286
LGA    A    63_A      A    63_A     0.867     0    0.033   0.037     1.492   85.952   88.762
LGA    G    64_A      G    64_A     1.786     0    0.080   0.080     1.870   75.000   75.000
LGA    I    65_A      I    65_A     2.199     0    0.029   1.526     6.109   68.810   56.667
LGA    F    66_A      F    66_A     1.585     0    0.114   0.128     3.836   77.143   63.377
LGA    K    67_A      K    67_A     1.039     0    0.056   0.999     4.303   83.690   75.661
LGA    E    68_A      E    68_A     2.066     0    0.102   0.585     5.741   70.833   49.524
LGA    A    69_A      A    69_A     1.919     0    0.046   0.054     2.075   72.857   71.238
LGA    L    70_A      L    70_A     2.196     0    0.081   1.280     3.946   61.190   60.357
LGA    E    71_A      E    71_A     2.666     0    0.218   0.893     4.583   50.833   62.381
LGA    R    72_A      R    72_A     4.240     0    0.565   0.565     8.597   36.190   23.074
LGA    N    73_A      N    73_A     8.322     0    0.538   0.623    13.221    3.810    1.964
LGA    I    74_A      I    74_A    11.613     0    0.064   0.595    14.183    0.119    0.060
LGA    T    75_A      T    75_A    13.931     0    0.678   1.072    16.623    0.000    0.000
LGA    T    76_A      T    76_A    18.207     0    0.421   1.055    20.880    0.000    0.000
LGA    P    77_A      P    77_A    20.547     0    0.098   0.086    22.272    0.000    0.000
LGA    E    78_A      E    78_A    25.186     0    0.077   1.314    28.296    0.000    0.000
LGA    E    79_A      E    79_A    22.965     0    0.100   0.224    23.279    0.000    0.000
LGA    F    80_A      F    80_A    20.324     0    0.029   1.309    22.304    0.000    0.000
LGA    N    81_A      N    81_A    25.686     0    0.035   1.010    29.901    0.000    0.000
LGA    A    82_A      A    82_A    28.830     0    0.038   0.039    29.571    0.000    0.000
LGA    F    83_A      F    83_A    25.177     0    0.027   1.544    26.260    0.000    0.000
LGA    L    84_A      L    84_A    25.089     0    0.045   0.222    28.037    0.000    0.000
LGA    K    85_A      K    85_A    31.522     0    0.064   1.088    37.144    0.000    0.000
LGA    E    86_A      E    86_A    32.480     0    0.044   1.037    34.820    0.000    0.000
LGA    K    87_A      K    87_A    28.865     0    0.587   0.868    30.448    0.000    0.000
LGA    G    88_A      G    88_A    31.890     0    0.110   0.110    31.890    0.000    0.000
LGA    K    89_A      K    89_A    32.239     0    0.058   1.278    38.112    0.000    0.000
LGA    R    90_A      R    90_A    25.622     0    0.069   0.630    28.179    0.000    0.000
LGA    A    91_A      A    91_A    22.772     0    0.033   0.048    24.320    0.000    0.000
LGA    V    92_A      V    92_A    26.613     0    0.078   0.173    30.687    0.000    0.000
LGA    D    93_A      D    93_A    25.189     0    0.079   0.078    30.186    0.000    0.000
LGA    L    94_A      L    94_A    17.896     0    0.075   0.936    20.598    0.000    0.000
LGA    V    95_A      V    95_A    19.026     0    0.051   0.111    20.528    0.000    0.000
LGA    A    96_A      A    96_A    23.995     0    0.048   0.055    26.183    0.000    0.000
LGA    T    97_A      T    97_A    19.575     0    0.033   0.097    20.814    0.000    0.000
LGA    L    98_A      L    98_A    15.574     0    0.051   0.967    17.681    0.000    0.000
LGA    T    99_A      T    99_A    21.481     0    0.071   1.234    24.624    0.000    0.000
LGA    N   100_A      N   100_A    25.202     0    0.109   1.113    28.875    0.000    0.000
LGA    A   101_A      A   101_A    20.658     0    0.034   0.055    22.242    0.000    0.000
LGA    Y   102_A      Y   102_A    21.300     0    0.040   0.484    25.087    0.000    0.000
LGA    I   103_A      I   103_A    28.462     0    0.044   0.705    32.737    0.000    0.000
LGA    A   104_A      A   104_A    29.259     0    0.053   0.053    30.887    0.000    0.000
LGA    V   105_A      V   105_A    26.554     0    0.030   0.176    29.748    0.000    0.000
LGA    L   106_A      L   106_A    30.311     0    0.047   0.186    34.304    0.000    0.000
LGA    E   107_A      E   107_A    36.330     0    0.370   1.145    39.294    0.000    0.000
LGA    G   108_A      G   108_A    38.870     0    0.532   0.532    41.796    0.000    0.000
LGA    D   109_A      D   109_A    41.608     0    0.349   1.354    41.608    0.000    0.000
LGA    P   110_A      P   110_A    42.714     0    0.056   0.099    46.747    0.000    0.000
LGA    E   111_A      E   111_A    43.774     0    0.044   1.328    46.856    0.000    0.000
LGA    A   112_A      A   112_A    37.329     0    0.038   0.045    39.761    0.000    0.000
LGA    I   113_A      I   113_A    34.585     0    0.047   1.218    36.575    0.000    0.000
LGA    A   114_A      A   114_A    38.558     0    0.027   0.045    41.291    0.000    0.000
LGA    R   115_A      R   115_A    35.650     0    0.081   1.090    42.280    0.000    0.000
LGA    F   116_A      F   116_A    29.253     0    0.060   1.410    31.764    0.000    0.000
LGA    L   117_A      L   117_A    31.530     0    0.142   0.129    34.360    0.000    0.000
LGA    G   118_A      G   118_A    33.752     0    0.363   0.363    34.077    0.000    0.000
LGA    I   119_A      I   119_A    32.919     0    0.285   1.341    34.321    0.000    0.000
LGA    S   120_A      S   120_A    37.443     0    0.140   0.151    41.119    0.000    0.000
LGA    L   121_A      L   121_A    37.793     0    0.563   0.631    40.395    0.000    0.000
LGA    E   122_A      E   122_A    42.893     0    0.061   1.218    47.040    0.000    0.000
LGA    E   123_A      E   123_A    40.528     0    0.208   1.161    40.965    0.000    0.000
LGA    V   124_A      V   124_A    38.773     0    0.043   0.984    40.525    0.000    0.000
LGA    Q   125_A      Q   125_A    44.422     0    0.088   1.249    48.807    0.000    0.000
LGA    E   126_A      E   126_A    42.915     0    0.033   1.153    43.957    0.000    0.000
LGA    I   127_A      I   127_A    36.631     0    0.037   0.603    38.823    0.000    0.000
LGA    I   128_A      I   128_A    39.747     0    0.030   1.305    43.635    0.000    0.000
LGA    D   129_A      D   129_A    43.820     0    0.037   1.315    48.705    0.000    0.000
LGA    A   130_A      A   130_A    38.829     0    0.022   0.038    40.416    0.000    0.000
LGA    A   131_A      A   131_A    35.082     0    0.039   0.060    36.564    0.000    0.000
LGA    R   132_A      R   132_A    40.401     0    0.043   1.345    51.644    0.000    0.000
LGA    K   133_A      K   133_A    41.196     0    0.034   1.100    45.876    0.000    0.000
LGA    A   134_A      A   134_A    34.761     0    0.062   0.062    36.941    0.000    0.000
LGA    V   135_A      V   135_A    35.045     0    0.063   1.214    36.610    0.000    0.000
LGA    K   136_A      K   136_A    40.275     0    0.099   0.907    49.898    0.000    0.000
LGA    E   137_A      E   137_A    37.292     0    0.291   0.766    38.073    0.000    0.000
LGA    G   138_A      G   138_A    32.530     0    0.220   0.220    34.163    0.000    0.000
LGA    R   139_A      R   139_A    35.520     0    0.240   1.320    46.232    0.000    0.000
LGA    G   140_A      G   140_A    34.322     0    0.069   0.069    38.224    0.000    0.000
LGA    A   141_A      A   141_A    39.636     0    0.617   0.602    40.393    0.000    0.000
LGA    S   142_A      S   142_A    39.505     0    0.079   0.681    39.769    0.000    0.000
LGA    I   143_A      I   143_A    40.560     0    0.028   1.008    40.874    0.000    0.000
LGA    G   144_A      G   144_A    40.483     0    0.034   0.034    40.483    0.000    0.000
LGA    I   145_A      I   145_A    39.318     0    0.035   1.070    40.439    0.000    0.000
LGA    Y   146_A      Y   146_A    39.957     0    0.027   0.865    40.391    0.000    0.000
LGA    T   147_A      T   147_A    40.906     0    0.031   1.007    42.589    0.000    0.000
LGA    K   148_A      K   148_A    40.363     0    0.051   1.012    45.157    0.000    0.000
LGA    L   149_A      L   149_A    39.983     0    0.036   0.092    40.483    0.000    0.000
LGA    R   150_A      R   150_A    41.414     0    0.028   1.756    45.427    0.000    0.000
LGA    E   151_A      E   151_A    41.879     0    0.058   0.795    42.614    0.000    0.000
LGA    L   152_A      L   152_A    41.122     0    0.030   0.117    41.941    0.000    0.000
LGA    E   153_A      E   153_A    42.148     0    0.110   1.249    44.269    0.000    0.000
LGA    E   154_A      E   154_A    43.219     0    0.128   1.225    44.144    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):    14.189         14.193                 15.106           17.466   13.477

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  158  141    4.0     32    2.82    21.986    19.701     1.097

LGA_LOCAL      RMSD:   2.816  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.981  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  14.189  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.127565 * X  +   0.991479 * Y  +   0.026398 * Z  + -53.596661
  Y_new =  -0.140259 * X  +   0.008315 * Y  +  -0.990080 * Z  +  -3.515948
  Z_new =  -0.981863 * X  +  -0.130002 * Y  +   0.138004 * Z  +  55.632793 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.308830  1.380049 -0.755550   [DEG: -132.2862   79.0710  -43.2898 ]
ZXZ:  0.026656  1.432351 -1.702434   [DEG:    1.5273   82.0677  -97.5423 ]
 
# END of job
