
#######################################################
#                                                     #
#                        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:    93       1_A - 93_A        4.72    30.37
  LONGEST_CONTINUOUS_SEGMENT:    93       2_A - 94_A        4.90    30.07
  LCS_AVERAGE:     50.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      12_A - 79_A        2.00    31.17
  LCS_AVERAGE:     30.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37       8_A - 44_A        0.98    30.87
  LONGEST_CONTINUOUS_SEGMENT:    37       9_A - 45_A        0.93    30.89
  LCS_AVERAGE:     13.05

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      3    5   93      0    3    3    3    4    7    8    9   17   27   60   70   71   75   79   80   81   84   86   88 
LCS_GDT     S     2_A     S     2_A      4   44   93      4    4    4    4    4    5    8   13   23   41   58   70   71   71   73   78   80   82   82   85 
LCS_GDT     R     3_A     R     3_A      4   47   93      4    4    4    4    5   43   50   55   65   67   69   74   77   80   82   86   87   89   90   91 
LCS_GDT     I     4_A     I     4_A     17   47   93      4    4    9   22   30   43   52   56   61   70   74   76   77   80   82   86   87   89   90   91 
LCS_GDT     D     5_A     D     5_A     18   47   93      5   12   19   29   38   49   52   56   62   69   74   76   77   80   82   86   87   89   90   91 
LCS_GDT     E     6_A     E     6_A     19   47   93      5   14   23   35   44   49   52   57   65   70   74   76   78   81   82   86   87   89   90   91 
LCS_GDT     K     7_A     K     7_A     19   48   93      5   15   30   42   46   49   57   64   66   71   74   77   79   81   82   86   87   89   90   91 
LCS_GDT     S     8_A     S     8_A     37   48   93      5   17   36   42   48   54   63   67   70   72   74   77   79   81   82   86   87   89   90   91 
LCS_GDT     S     9_A     S     9_A     37   48   93      5   15   31   42   48   53   63   67   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    10_A     K    10_A     37   48   93      6   25   37   46   50   57   64   67   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     A    11_A     A    11_A     37   66   93      9   29   38   46   53   60   64   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    12_A     K    12_A     37   68   93      9   29   40   46   57   60   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     V    13_A     V    13_A     37   68   93      9   33   40   50   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     N    14_A     N    14_A     37   68   93      9   33   40   50   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     D    15_A     D    15_A     37   68   93     17   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     F    16_A     F    16_A     37   68   93      9   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     L    17_A     L    17_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     A    18_A     A    18_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    19_A     E    19_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     I    20_A     I    20_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     F    21_A     F    21_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    22_A     K    22_A     37   68   93     25   33   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    23_A     K    23_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     I    24_A     I    24_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     G    25_A     G    25_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     S    26_A     S    26_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    27_A     K    27_A     37   68   93     16   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    28_A     E    28_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     N    29_A     N    29_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     T    30_A     T    30_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    31_A     K    31_A     37   68   93     19   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    32_A     E    32_A     37   68   93     20   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     G    33_A     G    33_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     L    34_A     L    34_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     A    35_A     A    35_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    36_A     E    36_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     L    37_A     L    37_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     Y    38_A     Y    38_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    39_A     E    39_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     Y    40_A     Y    40_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    41_A     K    41_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    42_A     K    42_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    43_A     K    43_A     37   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     Y    44_A     Y    44_A     37   68   93     18   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     S    45_A     S    45_A     37   68   93      4   32   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     D    46_A     D    46_A     36   68   93      3    4    4   12   23   34   50   59   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     A    47_A     A    47_A      4   68   93      3    5   10   26   45   60   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     D    48_A     D    48_A      9   68   93      5   23   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     I    49_A     I    49_A     10   68   93     10   24   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    50_A     E    50_A     10   68   93     10   24   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     P    51_A     P    51_A     10   68   93     10   24   36   50   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     F    52_A     F    52_A     10   68   93      9   24   36   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     L    53_A     L    53_A     16   68   93     10   24   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    54_A     K    54_A     16   68   93     10   24   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     N    55_A     N    55_A     18   68   93      3   18   34   45   56   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     S    56_A     S    56_A     18   68   93      3   15   34   45   56   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     S    57_A     S    57_A     18   68   93      3   15   32   45   56   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     Q    58_A     Q    58_A     18   68   93      4   10   30   45   54   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     F    59_A     F    59_A     19   68   93      4   10   32   45   54   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     F    60_A     F    60_A     20   68   93      4   19   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     Q    61_A     Q    61_A     20   68   93      9   23   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     S    62_A     S    62_A     20   68   93      8   23   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     Y    63_A     Y    63_A     20   68   93     10   24   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     V    64_A     V    64_A     20   68   93      9   30   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    65_A     E    65_A     20   68   93      8   26   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     R    66_A     R    66_A     20   68   93      8   26   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     G    67_A     G    67_A     20   68   93     10   29   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     L    68_A     L    68_A     20   68   93     25   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     R    69_A     R    69_A     20   68   93     13   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     V    70_A     V    70_A     20   68   93     24   33   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     I    71_A     I    71_A     20   68   93     11   24   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    72_A     E    72_A     20   68   93     10   26   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     M    73_A     M    73_A     20   68   93     10   26   40   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    74_A     E    74_A     20   68   93     10   24   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     R    75_A     R    75_A     20   68   93     10   24   38   51   57   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     E    76_A     E    76_A     20   68   93      5   18   34   47   56   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     G    77_A     G    77_A     20   68   93      5   18   34   45   56   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     K    78_A     K    78_A     20   68   93      3   17   33   45   55   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     G    79_A     G    79_A     20   68   93      3   15   34   45   56   62   67   68   70   72   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     R    80_A     R    80_A      4   54   93      3    4    5    6    9   16   56   64   70   71   73   77   79   81   83   86   87   89   90   91 
LCS_GDT     I    81_A     I    81_A      4   34   93      3    4    4    5    6    9   13   16   26   29   69   70   74   81   83   86   87   89   90   91 
LCS_GDT     S    82_A     S    82_A      4    5   93      3    4    4    5    6   13   27   64   70   71   73   77   79   81   83   86   87   89   90   91 
LCS_GDT     T    83_A     T    83_A      4    5   93      3    4    4    4    7   21   46   64   70   71   73   76   79   81   83   86   87   89   90   91 
LCS_GDT     S    84_A     S    84_A      4    5   93      3    4    4    5    5   13   60   65   70   71   73   76   79   81   83   86   87   89   90   91 
LCS_GDT     T    85_A     T    85_A      4    8   93      4    4    6    7    8    8   11   12   19   69   73   76   79   81   82   86   87   89   90   91 
LCS_GDT     G    86_A     G    86_A      4    8   93      4    4    6    7    8    8   11   21   34   47   54   77   79   81   83   86   87   89   90   91 
LCS_GDT     I    87_A     I    87_A      5    8   93      4    4    5    7    8    8   11   18   29   45   74   77   79   81   83   86   87   89   90   91 
LCS_GDT     S    88_A     S    88_A      5    8   93      4    4    6    7    8    8   11   11   21   39   51   57   72   81   83   86   87   89   90   91 
LCS_GDT     P    89_A     P    89_A      5    8   93      4    4    6    7    8    8   11   11   17   28   48   57   63   81   83   84   85   89   90   91 
LCS_GDT     Q    90_A     Q    90_A      5    8   93      4    4    6    7    8    8   11   11   17   31   50   57   64   81   83   84   85   89   90   91 
LCS_GDT     M    91_A     M    91_A      5    8   93      4    4    6    7    8    8   11   11   17   32   49   56   62   71   83   84   85   86   90   91 
LCS_GDT     E    92_A     E    92_A      4    8   93      3    4    4    7    8    8   10   14   31   48   56   68   76   81   83   85   87   89   90   91 
LCS_GDT     V    93_A     V    93_A      4    6   93      3    4    4    5    6    9   11   11   11   12   13   32   57   69   79   82   85   87   90   91 
LCS_GDT     T    94_A     T    94_A      4    6   93      3    4    4    5    6    9   11   11   11   12   13   14   16   20   26   74   77   79   81   85 
LCS_GDT     C    95_A     C    95_A      4    8   88      3    4    4    5    7    9   11   11   12   14   14   16   17   19   22   46   74   75   78   79 
LCS_GDT     V    96_A     V    96_A      4    8   19      3    3    4    6    7    9   11   11   13   15   15   16   18   18   20   20   20   22   30   36 
LCS_GDT     P    97_A     P    97_A      6    8   19      4    6    6    6    7    9   11   11   13   15   15   17   18   18   20   20   20   21   22   26 
LCS_GDT     T    98_A     T    98_A      6    8   19      4    6    6    6    7    9   11   11   13   15   15   17   18   18   20   20   20   21   33   36 
LCS_GDT     P    99_A     P    99_A      6    8   19      4    6    6    6    7    9   11   11   13   15   15   17   18   18   20   20   28   29   33   36 
LCS_GDT     T   100_A     T   100_A      6    8   19      4    6    6    6    7    9   11   11   13   15   15   17   19   21   26   35   37   39   40   43 
LCS_GDT     S   101_A     S   101_A      6    8   19      3    6    6    6    7    9   11   11   13   15   15   25   27   28   33   35   37   39   40   43 
LCS_GDT     T   102_A     T   102_A      6    8   19      4    6    6    6    7    9   11   13   14   15   15   25   27   28   33   35   37   40   41   44 
LCS_GDT     V   103_A     V   103_A      4    6   19      3    4    5    7    8   11   12   13   18   20   22   25   27   28   33   35   37   40   41   45 
LCS_GDT     S   104_A     S   104_A      4    9   19      3    4    5    5    6   10   12   13   18   20   22   25   27   28   33   35   37   40   41   45 
LCS_GDT     S   105_A     S   105_A      4   10   19      3    4    7    7   10   11   12   13   17   20   22   25   27   28   33   35   37   40   41   48 
LCS_GDT     I   106_A     I   106_A      6   10   19      3    5    7    7   10   11   12   13   14   15   16   17   18   20   24   27   37   39   40   43 
LCS_GDT     G   107_A     G   107_A      6   10   25      3    5    6    7   10   11   12   13   14   15   16   17   18   21   33   38   41   45   48   51 
LCS_GDT     N   108_A     N   108_A      6   10   28      3    5    7    7   10   11   12   13   14   15   16   17   18   20   23   29   31   39   42   44 
LCS_GDT     T   109_A     T   109_A      6   10   28      3    5    7    8   11   14   16   19   21   22   24   27   30   33   36   38   40   44   48   49 
LCS_GDT     N   110_A     N   110_A      6   10   28      3    5    7    7   10   15   16   19   21   22   22   23   23   24   24   25   26   28   33   35 
LCS_GDT     G   111_A     G   111_A      6   10   31      3    5    7    7   10   11   12   13   18   21   22   22   23   23   23   25   25   29   33   44 
LCS_GDT     E   112_A     E   112_A      5   10   31      3    4    7    7   10   11   12   13   19   22   22   24   27   32   37   38   40   41   44   47 
LCS_GDT     E   113_A     E   113_A      4   10   31      3    4    5    6   10   15   18   19   24   31   31   33   35   35   39   42   42   44   48   50 
LCS_GDT     V   114_A     V   114_A      4   20   31      3    4    6    8   11   15   18   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     G   115_A     G   115_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     P   116_A     P   116_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     S   117_A     S   117_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     V   118_A     V   118_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     Y   119_A     Y   119_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     L   120_A     L   120_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     E   121_A     E   121_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     R   122_A     R   122_A     17   23   31      8   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     L   123_A     L   123_A     17   23   31      8   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     K   124_A     K   124_A     17   23   31      8   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     I   125_A     I   125_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     L   126_A     L   126_A     17   23   31      8   14   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     R   127_A     R   127_A     17   23   31      8   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     Q   128_A     Q   128_A     17   23   31      7   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     R   129_A     R   129_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     C   130_A     C   130_A     17   23   31     10   15   17   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     G   131_A     G   131_A     17   23   31      7   12   17   19   20   22   23   25   29   31   32   33   35   38   40   43   48   48   49   51 
LCS_GDT     L   132_A     L   132_A      4   23   31      3    3    4   14   19   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     D   133_A     D   133_A      4   23   31      3    3    4   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     N   134_A     N   134_A      4   23   31      3    3   14   17   19   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     T   135_A     T   135_A      3   23   31      2    3    9   19   20   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     K   136_A     K   136_A      3   23   31      3    3    3    5   17   22   23   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     Q   137_A     Q   137_A      3   23   31      3    3    3    4    7   12   21   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     D   138_A     D   138_A      3    6   31      3    3    3    5    6    9   13   23   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     D   139_A     D   139_A      3    5   31      3    3    3    5    7   12   18   25   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     R   140_A     R   140_A      3    5   31      3    3    4   13   18   20   21   24   29   31   32   33   35   38   40   45   48   48   49   51 
LCS_GDT     P   141_A     P   141_A      3    3   31      3    3    3    3    3    4    4    4    5    5   30   33   35   38   40   45   48   48   49   51 
LCS_AVERAGE  LCS_A:  31.42  (  13.05   30.36   50.85 )

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     25     33     40     51     57     62     67     68     70     72     74     77     79     81     83     86     87     89     90     91 
GDT PERCENT_AT  17.73  23.40  28.37  36.17  40.43  43.97  47.52  48.23  49.65  51.06  52.48  54.61  56.03  57.45  58.87  60.99  61.70  63.12  63.83  64.54
GDT RMS_LOCAL    0.32   0.50   0.84   1.27   1.46   1.69   1.91   1.98   2.14   2.35   2.57   2.86   2.96   3.19   3.74   3.77   3.91   4.14   4.30   4.42
GDT RMS_ALL_AT  31.46  31.32  31.05  31.49  31.35  31.39  31.20  31.18  31.12  30.97  30.92  30.92  31.09  31.02  30.33  30.77  30.58  30.44  30.27  30.20

# 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:  F    52_A      F    52_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    13.126     0    0.552   0.594    14.321    0.000    0.000
LGA    S     2_A      S     2_A    15.358     0    0.636   0.748    17.831    0.000    0.000
LGA    R     3_A      R     3_A    11.299     0    0.127   0.983    15.307    0.714    0.260
LGA    I     4_A      I     4_A    11.675     0    0.015   0.070    15.826    0.000    0.000
LGA    D     5_A      D     5_A    11.164     0    0.175   0.988    11.642    0.357    0.179
LGA    E     6_A      E     6_A    10.075     0    0.053   0.161    12.737    1.548    0.688
LGA    K     7_A      K     7_A     8.719     0    0.013   0.109    11.387    6.190    2.963
LGA    S     8_A      S     8_A     7.173     0    0.023   0.100     8.539   12.976   10.317
LGA    S     9_A      S     9_A     6.924     0    0.021   0.599     7.981   17.738   15.238
LGA    K    10_A      K    10_A     5.611     0    0.118   0.972    12.152   24.048   13.280
LGA    A    11_A      A    11_A     4.496     0    0.030   0.042     4.967   38.810   37.333
LGA    K    12_A      K    12_A     3.613     0    0.020   0.050     5.534   48.452   39.259
LGA    V    13_A      V    13_A     2.925     0    0.034   0.764     4.168   57.262   51.361
LGA    N    14_A      N    14_A     2.858     0    0.025   1.090     4.755   60.952   50.714
LGA    D    15_A      D    15_A     2.154     0    0.021   1.004     4.406   70.952   59.881
LGA    F    16_A      F    16_A     1.195     0    0.025   0.069     1.578   83.810   82.294
LGA    L    17_A      L    17_A     1.160     0    0.029   0.142     1.909   81.429   80.417
LGA    A    18_A      A    18_A     1.713     0    0.026   0.030     1.973   72.857   72.857
LGA    E    19_A      E    19_A     1.155     0    0.044   0.148     1.364   81.429   88.571
LGA    I    20_A      I    20_A     0.876     0    0.039   0.072     1.323   85.952   90.595
LGA    F    21_A      F    21_A     1.617     0    0.037   0.072     2.252   72.976   75.238
LGA    K    22_A      K    22_A     2.141     0    0.029   0.812     7.248   66.786   46.085
LGA    K    23_A      K    23_A     1.800     0    0.035   0.612     2.038   70.833   73.862
LGA    I    24_A      I    24_A     1.511     0    0.014   0.038     1.848   72.857   79.405
LGA    G    25_A      G    25_A     2.046     0    0.154   0.154     2.963   64.881   64.881
LGA    S    26_A      S    26_A     2.311     0    0.086   0.676     2.420   66.786   70.397
LGA    K    27_A      K    27_A     2.748     0    0.036   0.863     4.944   57.143   50.476
LGA    E    28_A      E    28_A     2.526     0    0.013   0.863     3.314   60.952   57.249
LGA    N    29_A      N    29_A     1.774     0    0.038   0.872     3.144   72.976   75.595
LGA    T    30_A      T    30_A     2.216     0    0.011   0.253     3.091   64.762   61.565
LGA    K    31_A      K    31_A     2.288     0    0.018   1.104     8.883   68.810   44.444
LGA    E    32_A      E    32_A     1.370     0    0.043   1.072     4.613   79.286   65.344
LGA    G    33_A      G    33_A     0.943     0    0.008   0.008     1.113   88.214   88.214
LGA    L    34_A      L    34_A     0.910     0    0.026   0.086     1.387   88.214   84.821
LGA    A    35_A      A    35_A     0.868     0    0.018   0.033     1.086   90.476   88.667
LGA    E    36_A      E    36_A     0.832     0    0.033   0.161     1.731   90.476   82.593
LGA    L    37_A      L    37_A     0.252     0    0.028   0.100     0.486  100.000  100.000
LGA    Y    38_A      Y    38_A     0.362     0    0.025   0.096     1.417   95.238   90.595
LGA    E    39_A      E    39_A     0.807     0    0.025   0.918     3.042   88.214   81.958
LGA    Y    40_A      Y    40_A     0.656     0    0.052   0.139     1.013   88.214   89.722
LGA    K    41_A      K    41_A     0.789     0    0.047   0.510     1.466   88.214   87.460
LGA    K    42_A      K    42_A     1.118     0    0.030   0.596     3.328   81.548   77.989
LGA    K    43_A      K    43_A     1.715     0    0.049   1.003     3.239   72.976   66.931
LGA    Y    44_A      Y    44_A     1.880     0    0.358   0.435     3.309   70.833   62.460
LGA    S    45_A      S    45_A     1.509     0    0.318   0.534     2.316   70.833   72.937
LGA    D    46_A      D    46_A     5.091     0    0.558   0.970    10.236   42.381   22.262
LGA    A    47_A      A    47_A     3.905     0    0.535   0.566     5.077   48.690   44.190
LGA    D    48_A      D    48_A     1.684     0    0.617   1.115     7.481   86.071   55.060
LGA    I    49_A      I    49_A     1.032     0    0.157   1.262     3.028   81.429   74.524
LGA    E    50_A      E    50_A     1.544     0    0.055   1.248     2.993   75.000   73.968
LGA    P    51_A      P    51_A     1.840     0    0.061   0.089     2.067   70.833   71.701
LGA    F    52_A      F    52_A     1.695     0    0.055   1.506     5.571   72.857   62.208
LGA    L    53_A      L    53_A     1.190     0    0.071   0.533     2.617   81.429   78.452
LGA    K    54_A      K    54_A     0.927     0    0.039   0.948     8.167   79.405   55.291
LGA    N    55_A      N    55_A     3.111     0    0.223   0.325     4.618   53.690   47.024
LGA    S    56_A      S    56_A     2.816     0    0.057   0.583     3.237   55.357   56.032
LGA    S    57_A      S    57_A     3.220     0    0.022   0.704     5.032   50.000   46.032
LGA    Q    58_A      Q    58_A     3.723     0    0.019   0.223     5.127   45.000   36.931
LGA    F    59_A      F    59_A     3.418     0    0.022   0.055     4.847   53.571   44.935
LGA    F    60_A      F    60_A     1.503     0    0.137   0.246     2.139   75.119   82.511
LGA    Q    61_A      Q    61_A     1.236     0    0.107   0.986     5.163   81.429   64.233
LGA    S    62_A      S    62_A     1.852     0    0.029   0.052     2.347   70.833   68.810
LGA    Y    63_A      Y    63_A     1.417     0    0.044   0.175     2.435   81.429   74.444
LGA    V    64_A      V    64_A     0.342     0    0.053   1.028     2.085   92.857   87.007
LGA    E    65_A      E    65_A     1.264     0    0.034   1.121     5.225   83.690   65.238
LGA    R    66_A      R    66_A     1.629     0    0.032   0.963     5.045   79.286   68.225
LGA    G    67_A      G    67_A     1.034     0    0.094   0.094     1.152   85.952   85.952
LGA    L    68_A      L    68_A     0.094     0    0.044   0.072     0.574  100.000   98.810
LGA    R    69_A      R    69_A     0.895     0    0.024   1.371     7.766   88.214   59.697
LGA    V    70_A      V    70_A     0.545     0    0.095   1.126     3.222   95.238   84.898
LGA    I    71_A      I    71_A     0.420     0    0.035   0.646     1.847   92.976   90.714
LGA    E    72_A      E    72_A     1.283     0    0.058   0.291     2.765   81.548   73.228
LGA    M    73_A      M    73_A     1.205     0    0.036   0.870     3.760   81.429   70.833
LGA    E    74_A      E    74_A     1.162     0    0.025   0.257     1.344   81.429   81.429
LGA    R    75_A      R    75_A     0.911     0    0.054   1.126     3.269   83.690   78.312
LGA    E    76_A      E    76_A     2.087     0    0.164   0.762     4.353   61.190   55.132
LGA    G    77_A      G    77_A     2.813     0    0.070   0.070     4.086   52.262   52.262
LGA    K    78_A      K    78_A     3.413     0    0.563   0.814     6.038   48.333   36.296
LGA    G    79_A      G    79_A     3.066     0    0.244   0.244     3.725   48.333   48.333
LGA    R    80_A      R    80_A     6.850     0    0.550   1.336    10.115   11.429   10.000
LGA    I    81_A      I    81_A     9.424     0    0.623   0.563    13.454    5.119    2.560
LGA    S    82_A      S    82_A     6.616     0    0.070   0.256     9.153    8.690   10.317
LGA    T    83_A      T    83_A     7.019     0    0.570   1.141     8.720   16.429   12.653
LGA    S    84_A      S    84_A     5.903     0    0.167   0.235     7.494   20.476   16.984
LGA    T    85_A      T    85_A     6.625     0    0.579   0.692     9.352   15.714   10.612
LGA    G    86_A      G    86_A     7.060     0    0.058   0.058     7.060   13.452   13.452
LGA    I    87_A      I    87_A     6.467     0    0.035   0.711     8.731   10.119   14.226
LGA    S    88_A      S    88_A     9.673     0    0.060   0.071    10.273    1.667    1.190
LGA    P    89_A      P    89_A    11.329     0    0.031   0.396    12.352    0.000    0.000
LGA    Q    90_A      Q    90_A    11.829     0    0.105   1.167    12.873    0.000    0.000
LGA    M    91_A      M    91_A    13.602     0    0.521   0.767    16.609    0.000    0.000
LGA    E    92_A      E    92_A    12.154     0    0.463   0.526    13.581    0.000    0.053
LGA    V    93_A      V    93_A    15.514     0    0.058   1.054    17.946    0.000    0.000
LGA    T    94_A      T    94_A    21.592     0    0.113   1.073    24.446    0.000    0.000
LGA    C    95_A      C    95_A    26.310     0    0.584   0.509    27.595    0.000    0.000
LGA    V    96_A      V    96_A    30.815     0    0.135   1.441    33.077    0.000    0.000
LGA    P    97_A      P    97_A    33.190     0    0.034   0.346    37.752    0.000    0.000
LGA    T    98_A      T    98_A    38.347     0    0.100   0.336    40.828    0.000    0.000
LGA    P    99_A      P    99_A    39.933     0    0.242   0.276    43.630    0.000    0.000
LGA    T   100_A      T   100_A    41.036     0    0.226   1.067    41.036    0.000    0.000
LGA    S   101_A      S   101_A    42.527     0    0.569   0.670    44.857    0.000    0.000
LGA    T   102_A      T   102_A    36.770     0    0.569   0.490    38.532    0.000    0.000
LGA    V   103_A      V   103_A    33.378     0    0.576   0.574    34.873    0.000    0.000
LGA    S   104_A      S   104_A    32.532     0    0.256   0.695    34.875    0.000    0.000
LGA    S   105_A      S   105_A    31.781     0    0.217   0.254    32.671    0.000    0.000
LGA    I   106_A      I   106_A    34.491     0    0.225   0.212    39.784    0.000    0.000
LGA    G   107_A      G   107_A    31.896     0    0.035   0.035    34.007    0.000    0.000
LGA    N   108_A      N   108_A    33.336     0    0.182   0.327    36.978    0.000    0.000
LGA    T   109_A      T   109_A    32.192     0    0.240   0.312    35.095    0.000    0.000
LGA    N   110_A      N   110_A    32.377     0    0.144   0.170    34.290    0.000    0.000
LGA    G   111_A      G   111_A    31.911     0    0.115   0.115    32.293    0.000    0.000
LGA    E   112_A      E   112_A    31.385     0    0.378   1.208    31.496    0.000    0.000
LGA    E   113_A      E   113_A    33.320     0    0.449   1.094    36.990    0.000    0.000
LGA    V   114_A      V   114_A    37.295     0    0.094   1.029    40.758    0.000    0.000
LGA    G   115_A      G   115_A    38.595     0    0.597   0.597    40.143    0.000    0.000
LGA    P   116_A      P   116_A    43.695     0    0.018   0.044    45.961    0.000    0.000
LGA    S   117_A      S   117_A    46.234     0    0.045   0.591    46.653    0.000    0.000
LGA    V   118_A      V   118_A    40.683     0    0.060   0.894    42.191    0.000    0.000
LGA    Y   119_A      Y   119_A    40.793     0    0.017   1.354    43.558    0.000    0.000
LGA    L   120_A      L   120_A    48.008     0    0.018   0.057    52.226    0.000    0.000
LGA    E   121_A      E   121_A    48.071     0    0.028   0.946    49.371    0.000    0.000
LGA    R   122_A      R   122_A    42.745     0    0.017   1.211    44.214    0.000    0.000
LGA    L   123_A      L   123_A    45.196     0    0.014   0.167    48.390    0.000    0.000
LGA    K   124_A      K   124_A    52.293     0    0.042   0.931    62.075    0.000    0.000
LGA    I   125_A      I   125_A    50.544     0    0.011   0.044    50.802    0.000    0.000
LGA    L   126_A      L   126_A    46.438     0    0.046   0.138    49.050    0.000    0.000
LGA    R   127_A      R   127_A    51.890     0    0.054   1.052    58.900    0.000    0.000
LGA    Q   128_A      Q   128_A    57.555     0    0.091   1.185    59.296    0.000    0.000
LGA    R   129_A      R   129_A    54.285     0    0.084   1.074    55.390    0.000    0.000
LGA    C   130_A      C   130_A    53.499     0    0.214   0.198    56.610    0.000    0.000
LGA    G   131_A      G   131_A    60.833     0    0.682   0.682    61.992    0.000    0.000
LGA    L   132_A      L   132_A    62.566     0    0.480   0.523    63.939    0.000    0.000
LGA    D   133_A      D   133_A    66.387     0    0.488   1.055    70.004    0.000    0.000
LGA    N   134_A      N   134_A    70.523     0    0.418   1.236    73.741    0.000    0.000
LGA    T   135_A      T   135_A    77.264     0    0.560   0.571    80.887    0.000    0.000
LGA    K   136_A      K   136_A    82.145     0    0.542   1.134    84.401    0.000    0.000
LGA    Q   137_A      Q   137_A    85.759     0    0.061   0.284    86.594    0.000    0.000
LGA    D   138_A      D   138_A    89.480     0    0.603   0.644    92.030    0.000    0.000
LGA    D   139_A      D   139_A    96.252     0    0.062   0.479    99.152    0.000    0.000
LGA    R   140_A      R   140_A    97.784     0    0.327   1.534   100.524    0.000    0.000
LGA    P   141_A      P   141_A    97.989     0    0.172   0.501    99.708    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):    18.034         17.891                 18.546           37.177   34.199

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     68    1.98    42.199    40.558     3.267

LGA_LOCAL      RMSD:   1.981  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  31.176  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  18.034  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.021714 * X  +  -0.582370 * Y  +  -0.812634 * Z  +  -1.190096
  Y_new =   0.682314 * X  +  -0.602734 * Y  +   0.413714 * Z  +  -5.113607
  Z_new =  -0.730736 * X  +  -0.545488 * Y  +   0.410447 * Z  +   2.518095 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.602610  0.819400 -0.925736   [DEG:   91.8228   46.9482  -53.0408 ]
ZXZ: -2.041699  1.147852 -2.212048   [DEG: -116.9808   65.7671 -126.7410 ]
 
# END of job
